USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=26 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 -110:sc= -0.881! USER MOD Set 1.2: A 115 ASN : amide:sc= -4.56! K(o=-5.4!,f=2.5) USER MOD Set 2.1: A 40 SER OG : rot 12:sc= 0.219 USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0.0869 USER MOD Set 3.1: A 32 THR OG1 : rot -155:sc= -2.06! USER MOD Set 3.2: A 110 GLN : amide:sc= -5.23! C(o=-7.3!,f=-10!) USER MOD Set 4.1: A 19 ASN : amide:sc= -0.051 K(o=0.026,f=-2!) USER MOD Set 4.2: A 121 LYS NZ :NH3+ -158:sc= 0.077 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.761 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 22 THR OG1 : rot -37:sc= 0.816 USER MOD Single : A 24 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.0313 USER MOD Single : A 29 THR OG1 : rot -87:sc= 0.0787 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= -0.0318 (180deg=-0.327) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= -5.95! (180deg=-7.84!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00308 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 117:sc= 0.832 USER MOD Single : A 62 HIS : no HD1:sc= -2.34! C(o=-2.3!,f=-4.2!) USER MOD Single : A 63 HIS : no HD1:sc= -2.75! K(o=-2.7!,f=-1.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 78 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -6.71! C(o=-6.7!,f=-6.1!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -6.55! C(o=-6.5!,f=-4.4!) 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 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 100:sc= -0.183 USER MOD Single : A 122 THR OG1 : rot 78:sc= 0.0868 USER MOD Single : A 124 MET CE :methyl -129:sc= -0.303 (180deg=-0.645) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.245 6.355 1.948 1.00 0.83 N ATOM 103 CA ASP A 8 -16.002 6.473 2.761 1.00 0.80 C ATOM 104 C ASP A 8 -15.041 7.453 2.086 1.00 0.80 C ATOM 105 O ASP A 8 -14.537 7.201 1.010 1.00 0.92 O ATOM 106 CB ASP A 8 -15.335 5.100 2.874 1.00 0.67 C ATOM 107 CG ASP A 8 -14.139 5.191 3.825 1.00 1.06 C ATOM 108 OD1 ASP A 8 -13.858 6.282 4.290 1.00 1.57 O ATOM 109 OD2 ASP A 8 -13.525 4.165 4.071 1.00 1.73 O ATOM 0 HA ASP A 8 -16.253 6.839 3.757 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -16.051 4.365 3.242 1.00 0.67 H new ATOM 0 HB3 ASP A 8 -15.007 4.761 1.891 1.00 0.67 H new ATOM 114 N ILE A 9 -14.785 8.571 2.708 1.00 0.69 N ATOM 115 CA ILE A 9 -13.856 9.565 2.100 1.00 0.68 C ATOM 116 C ILE A 9 -12.436 8.998 2.093 1.00 0.58 C ATOM 117 O ILE A 9 -11.557 9.509 1.427 1.00 0.65 O ATOM 118 CB ILE A 9 -13.885 10.857 2.921 1.00 0.78 C ATOM 119 CG1 ILE A 9 -13.345 12.010 2.072 1.00 0.49 C ATOM 120 CG2 ILE A 9 -13.014 10.690 4.167 1.00 1.12 C ATOM 121 CD1 ILE A 9 -13.378 13.305 2.888 1.00 1.04 C ATOM 0 H ILE A 9 -15.179 8.839 3.610 1.00 0.69 H new ATOM 0 HA ILE A 9 -14.168 9.776 1.077 1.00 0.68 H new ATOM 0 HB ILE A 9 -14.910 11.074 3.222 1.00 0.78 H new ATOM 0 HG12 ILE A 9 -12.325 11.794 1.754 1.00 0.49 H new ATOM 0 HG13 ILE A 9 -13.944 12.122 1.168 1.00 0.49 H new ATOM 0 HG21 ILE A 9 -13.035 11.610 4.751 1.00 1.12 H new ATOM 0 HG22 ILE A 9 -13.397 9.868 4.771 1.00 1.12 H new ATOM 0 HG23 ILE A 9 -11.989 10.473 3.868 1.00 1.12 H new ATOM 0 HD11 ILE A 9 -12.993 14.126 2.283 1.00 1.04 H new ATOM 0 HD12 ILE A 9 -14.404 13.522 3.184 1.00 1.04 H new ATOM 0 HD13 ILE A 9 -12.760 13.190 3.778 1.00 1.04 H new ATOM 133 N THR A 10 -12.204 7.945 2.827 1.00 0.45 N ATOM 134 CA THR A 10 -10.840 7.347 2.860 1.00 0.41 C ATOM 135 C THR A 10 -10.528 6.710 1.503 1.00 0.29 C ATOM 136 O THR A 10 -9.576 7.070 0.842 1.00 0.30 O ATOM 137 CB THR A 10 -10.778 6.276 3.952 1.00 0.44 C ATOM 138 OG1 THR A 10 -11.494 6.726 5.093 1.00 0.53 O ATOM 139 CG2 THR A 10 -9.319 6.015 4.332 1.00 0.49 C ATOM 0 H THR A 10 -12.899 7.473 3.405 1.00 0.45 H new ATOM 0 HA THR A 10 -10.108 8.126 3.073 1.00 0.41 H new ATOM 0 HB THR A 10 -11.224 5.353 3.583 1.00 0.44 H new ATOM 0 HG1 THR A 10 -12.431 6.448 5.022 1.00 0.53 H new ATOM 0 HG21 THR A 10 -9.276 5.252 5.110 1.00 0.49 H new ATOM 0 HG22 THR A 10 -8.771 5.670 3.455 1.00 0.49 H new ATOM 0 HG23 THR A 10 -8.869 6.936 4.702 1.00 0.49 H new ATOM 147 N LEU A 11 -11.326 5.767 1.084 1.00 0.32 N ATOM 148 CA LEU A 11 -11.076 5.110 -0.230 1.00 0.20 C ATOM 149 C LEU A 11 -10.819 6.180 -1.292 1.00 0.18 C ATOM 150 O LEU A 11 -10.236 5.917 -2.325 1.00 0.11 O ATOM 151 CB LEU A 11 -12.297 4.279 -0.629 1.00 0.17 C ATOM 152 CG LEU A 11 -12.657 3.317 0.506 1.00 0.18 C ATOM 153 CD1 LEU A 11 -13.880 2.490 0.105 1.00 0.16 C ATOM 154 CD2 LEU A 11 -11.477 2.379 0.775 1.00 0.29 C ATOM 0 H LEU A 11 -12.140 5.423 1.594 1.00 0.32 H new ATOM 0 HA LEU A 11 -10.206 4.458 -0.150 1.00 0.20 H new ATOM 0 HB2 LEU A 11 -13.141 4.934 -0.845 1.00 0.17 H new ATOM 0 HB3 LEU A 11 -12.087 3.719 -1.540 1.00 0.17 H new ATOM 0 HG LEU A 11 -12.882 3.888 1.407 1.00 0.18 H new ATOM 0 HD11 LEU A 11 -14.137 1.805 0.913 1.00 0.16 H new ATOM 0 HD12 LEU A 11 -14.722 3.155 -0.088 1.00 0.16 H new ATOM 0 HD13 LEU A 11 -13.654 1.920 -0.796 1.00 0.16 H new ATOM 0 HD21 LEU A 11 -11.734 1.694 1.583 1.00 0.29 H new ATOM 0 HD22 LEU A 11 -11.253 1.809 -0.126 1.00 0.29 H new ATOM 0 HD23 LEU A 11 -10.604 2.966 1.060 1.00 0.29 H new ATOM 166 N GLN A 12 -11.251 7.387 -1.048 1.00 0.26 N ATOM 167 CA GLN A 12 -11.033 8.474 -2.043 1.00 0.26 C ATOM 168 C GLN A 12 -9.596 8.985 -1.935 1.00 0.24 C ATOM 169 O GLN A 12 -8.777 8.754 -2.803 1.00 0.20 O ATOM 170 CB GLN A 12 -12.005 9.622 -1.766 1.00 0.38 C ATOM 171 CG GLN A 12 -11.952 10.627 -2.920 1.00 0.51 C ATOM 172 CD GLN A 12 -12.788 11.857 -2.564 1.00 0.84 C ATOM 173 OE1 GLN A 12 -12.259 12.936 -2.392 1.00 1.74 O ATOM 174 NE2 GLN A 12 -14.083 11.739 -2.446 1.00 1.08 N ATOM 0 H GLN A 12 -11.746 7.667 -0.201 1.00 0.26 H new ATOM 0 HA GLN A 12 -11.206 8.086 -3.047 1.00 0.26 H new ATOM 0 HB2 GLN A 12 -13.018 9.235 -1.653 1.00 0.38 H new ATOM 0 HB3 GLN A 12 -11.745 10.114 -0.829 1.00 0.38 H new ATOM 0 HG2 GLN A 12 -10.920 10.919 -3.115 1.00 0.51 H new ATOM 0 HG3 GLN A 12 -12.331 10.168 -3.833 1.00 0.51 H new ATOM 0 HE21 GLN A 12 -14.528 10.833 -2.590 1.00 1.08 H new ATOM 0 HE22 GLN A 12 -14.650 12.553 -2.209 1.00 1.08 H new ATOM 183 N GLU A 13 -9.281 9.680 -0.877 1.00 0.30 N ATOM 184 CA GLU A 13 -7.896 10.206 -0.716 1.00 0.32 C ATOM 185 C GLU A 13 -6.893 9.063 -0.881 1.00 0.28 C ATOM 186 O GLU A 13 -5.736 9.277 -1.182 1.00 0.30 O ATOM 187 CB GLU A 13 -7.743 10.827 0.676 1.00 0.41 C ATOM 188 CG GLU A 13 -7.584 9.719 1.720 1.00 0.42 C ATOM 189 CD GLU A 13 -6.102 9.368 1.870 1.00 1.65 C ATOM 190 OE1 GLU A 13 -5.337 10.252 2.217 1.00 2.08 O ATOM 191 OE2 GLU A 13 -5.759 8.221 1.635 1.00 2.76 O ATOM 0 H GLU A 13 -9.923 9.906 -0.117 1.00 0.30 H new ATOM 0 HA GLU A 13 -7.706 10.966 -1.474 1.00 0.32 H new ATOM 0 HB2 GLU A 13 -6.876 11.487 0.697 1.00 0.41 H new ATOM 0 HB3 GLU A 13 -8.615 11.438 0.910 1.00 0.41 H new ATOM 0 HG2 GLU A 13 -7.990 10.046 2.677 1.00 0.42 H new ATOM 0 HG3 GLU A 13 -8.149 8.837 1.419 1.00 0.42 H new ATOM 198 N ILE A 14 -7.328 7.847 -0.687 1.00 0.23 N ATOM 199 CA ILE A 14 -6.400 6.691 -0.835 1.00 0.20 C ATOM 200 C ILE A 14 -6.080 6.480 -2.317 1.00 0.18 C ATOM 201 O ILE A 14 -4.940 6.546 -2.731 1.00 0.18 O ATOM 202 CB ILE A 14 -7.060 5.431 -0.272 1.00 0.15 C ATOM 203 CG1 ILE A 14 -6.959 5.444 1.256 1.00 0.17 C ATOM 204 CG2 ILE A 14 -6.347 4.194 -0.819 1.00 0.14 C ATOM 205 CD1 ILE A 14 -7.869 4.360 1.837 1.00 0.12 C ATOM 0 H ILE A 14 -8.286 7.605 -0.433 1.00 0.23 H new ATOM 0 HA ILE A 14 -5.478 6.893 -0.289 1.00 0.20 H new ATOM 0 HB ILE A 14 -8.109 5.406 -0.568 1.00 0.15 H new ATOM 0 HG12 ILE A 14 -5.928 5.272 1.564 1.00 0.17 H new ATOM 0 HG13 ILE A 14 -7.248 6.422 1.642 1.00 0.17 H new ATOM 0 HG21 ILE A 14 -6.817 3.296 -0.418 1.00 0.14 H new ATOM 0 HG22 ILE A 14 -6.417 4.185 -1.907 1.00 0.14 H new ATOM 0 HG23 ILE A 14 -5.298 4.218 -0.523 1.00 0.14 H new ATOM 0 HD11 ILE A 14 -7.797 4.369 2.925 1.00 0.12 H new ATOM 0 HD12 ILE A 14 -8.900 4.553 1.540 1.00 0.12 H new ATOM 0 HD13 ILE A 14 -7.559 3.385 1.461 1.00 0.12 H new ATOM 217 N ILE A 15 -7.078 6.226 -3.118 1.00 0.17 N ATOM 218 CA ILE A 15 -6.831 6.011 -4.572 1.00 0.15 C ATOM 219 C ILE A 15 -5.916 7.118 -5.102 1.00 0.21 C ATOM 220 O ILE A 15 -4.932 6.858 -5.765 1.00 0.24 O ATOM 221 CB ILE A 15 -8.160 6.043 -5.326 1.00 0.10 C ATOM 222 CG1 ILE A 15 -8.838 4.675 -5.220 1.00 0.28 C ATOM 223 CG2 ILE A 15 -7.905 6.371 -6.798 1.00 0.18 C ATOM 224 CD1 ILE A 15 -10.332 4.821 -5.518 1.00 0.15 C ATOM 0 H ILE A 15 -8.054 6.158 -2.829 1.00 0.17 H new ATOM 0 HA ILE A 15 -6.354 5.042 -4.720 1.00 0.15 H new ATOM 0 HB ILE A 15 -8.806 6.805 -4.891 1.00 0.10 H new ATOM 0 HG12 ILE A 15 -8.383 3.976 -5.922 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -8.694 4.262 -4.221 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -8.853 6.394 -7.335 1.00 0.18 H new ATOM 0 HG22 ILE A 15 -7.421 7.344 -6.875 1.00 0.18 H new ATOM 0 HG23 ILE A 15 -7.259 5.609 -7.234 1.00 0.18 H new ATOM 0 HD11 ILE A 15 -10.815 3.847 -5.443 1.00 0.15 H new ATOM 0 HD12 ILE A 15 -10.781 5.505 -4.798 1.00 0.15 H new ATOM 0 HD13 ILE A 15 -10.465 5.215 -6.526 1.00 0.15 H new ATOM 236 N LYS A 16 -6.234 8.351 -4.814 1.00 0.23 N ATOM 237 CA LYS A 16 -5.381 9.471 -5.302 1.00 0.29 C ATOM 238 C LYS A 16 -3.946 9.271 -4.812 1.00 0.32 C ATOM 239 O LYS A 16 -2.995 9.521 -5.527 1.00 0.34 O ATOM 240 CB LYS A 16 -5.924 10.797 -4.761 1.00 0.32 C ATOM 241 CG LYS A 16 -5.904 11.848 -5.874 1.00 1.15 C ATOM 242 CD LYS A 16 -6.077 13.240 -5.264 1.00 1.61 C ATOM 243 CE LYS A 16 -7.295 13.246 -4.339 1.00 1.19 C ATOM 244 NZ LYS A 16 -7.722 14.650 -4.087 1.00 1.66 N ATOM 0 H LYS A 16 -7.046 8.630 -4.263 1.00 0.23 H new ATOM 0 HA LYS A 16 -5.393 9.489 -6.392 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -6.941 10.662 -4.391 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -5.320 11.133 -3.918 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -4.964 11.794 -6.423 1.00 1.15 H new ATOM 0 HG3 LYS A 16 -6.702 11.651 -6.589 1.00 1.15 H new ATOM 0 HD2 LYS A 16 -5.183 13.518 -4.706 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -6.203 13.981 -6.053 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -8.111 12.682 -4.791 1.00 1.19 H new ATOM 0 HE3 LYS A 16 -7.052 12.754 -3.397 1.00 1.19 H new ATOM 0 HZ1 LYS A 16 -8.550 14.653 -3.458 1.00 1.66 H new ATOM 0 HZ2 LYS A 16 -6.944 15.174 -3.638 1.00 1.66 H new ATOM 0 HZ3 LYS A 16 -7.970 15.104 -4.989 1.00 1.66 H new ATOM 258 N THR A 17 -3.781 8.821 -3.599 1.00 0.33 N ATOM 259 CA THR A 17 -2.406 8.605 -3.065 1.00 0.37 C ATOM 260 C THR A 17 -1.670 7.595 -3.947 1.00 0.37 C ATOM 261 O THR A 17 -0.520 7.781 -4.294 1.00 0.40 O ATOM 262 CB THR A 17 -2.493 8.064 -1.636 1.00 0.40 C ATOM 263 OG1 THR A 17 -3.426 8.839 -0.895 1.00 0.42 O ATOM 264 CG2 THR A 17 -1.118 8.146 -0.972 1.00 0.31 C ATOM 0 H THR A 17 -4.538 8.593 -2.954 1.00 0.33 H new ATOM 0 HA THR A 17 -1.864 9.551 -3.064 1.00 0.37 H new ATOM 0 HB THR A 17 -2.820 7.024 -1.660 1.00 0.40 H new ATOM 0 HG1 THR A 17 -4.323 8.457 -0.997 1.00 0.42 H new ATOM 0 HG21 THR A 17 -1.182 7.760 0.046 1.00 0.31 H new ATOM 0 HG22 THR A 17 -0.403 7.552 -1.541 1.00 0.31 H new ATOM 0 HG23 THR A 17 -0.788 9.184 -0.946 1.00 0.31 H new ATOM 272 N LEU A 18 -2.323 6.525 -4.313 1.00 0.34 N ATOM 273 CA LEU A 18 -1.658 5.505 -5.172 1.00 0.34 C ATOM 274 C LEU A 18 -1.185 6.161 -6.470 1.00 0.33 C ATOM 275 O LEU A 18 -0.118 5.867 -6.973 1.00 0.39 O ATOM 276 CB LEU A 18 -2.652 4.389 -5.498 1.00 0.32 C ATOM 277 CG LEU A 18 -3.294 3.881 -4.207 1.00 0.21 C ATOM 278 CD1 LEU A 18 -4.280 2.757 -4.532 1.00 0.25 C ATOM 279 CD2 LEU A 18 -2.205 3.347 -3.273 1.00 0.20 C ATOM 0 H LEU A 18 -3.287 6.314 -4.054 1.00 0.34 H new ATOM 0 HA LEU A 18 -0.801 5.087 -4.643 1.00 0.34 H new ATOM 0 HB2 LEU A 18 -3.420 4.759 -6.177 1.00 0.32 H new ATOM 0 HB3 LEU A 18 -2.142 3.572 -6.009 1.00 0.32 H new ATOM 0 HG LEU A 18 -3.825 4.699 -3.720 1.00 0.21 H new ATOM 0 HD11 LEU A 18 -4.737 2.396 -3.611 1.00 0.25 H new ATOM 0 HD12 LEU A 18 -5.056 3.135 -5.198 1.00 0.25 H new ATOM 0 HD13 LEU A 18 -3.751 1.938 -5.020 1.00 0.25 H new ATOM 0 HD21 LEU A 18 -2.661 2.984 -2.352 1.00 0.20 H new ATOM 0 HD22 LEU A 18 -1.675 2.529 -3.762 1.00 0.20 H new ATOM 0 HD23 LEU A 18 -1.502 4.146 -3.039 1.00 0.20 H new ATOM 291 N ASN A 19 -1.969 7.049 -7.018 1.00 0.25 N ATOM 292 CA ASN A 19 -1.562 7.724 -8.283 1.00 0.23 C ATOM 293 C ASN A 19 -0.278 8.520 -8.045 1.00 0.27 C ATOM 294 O ASN A 19 0.617 8.535 -8.868 1.00 0.27 O ATOM 295 CB ASN A 19 -2.674 8.672 -8.736 1.00 0.18 C ATOM 296 CG ASN A 19 -3.819 7.862 -9.345 1.00 0.21 C ATOM 297 OD1 ASN A 19 -3.600 6.815 -9.920 1.00 1.10 O ATOM 298 ND2 ASN A 19 -5.042 8.304 -9.242 1.00 0.81 N ATOM 0 H ASN A 19 -2.874 7.336 -6.644 1.00 0.25 H new ATOM 0 HA ASN A 19 -1.387 6.975 -9.055 1.00 0.23 H new ATOM 0 HB2 ASN A 19 -3.037 9.255 -7.889 1.00 0.18 H new ATOM 0 HB3 ASN A 19 -2.286 9.381 -9.468 1.00 0.18 H new ATOM 0 HD21 ASN A 19 -5.813 7.770 -9.644 1.00 0.81 H new ATOM 0 HD22 ASN A 19 -5.228 9.183 -8.759 1.00 0.81 H new ATOM 305 N SER A 20 -0.178 9.184 -6.926 1.00 0.33 N ATOM 306 CA SER A 20 1.050 9.978 -6.637 1.00 0.38 C ATOM 307 C SER A 20 2.253 9.038 -6.536 1.00 0.39 C ATOM 308 O SER A 20 3.310 9.308 -7.070 1.00 0.47 O ATOM 309 CB SER A 20 0.874 10.726 -5.316 1.00 0.36 C ATOM 310 OG SER A 20 -0.453 11.230 -5.234 1.00 0.65 O ATOM 0 H SER A 20 -0.893 9.211 -6.199 1.00 0.33 H new ATOM 0 HA SER A 20 1.217 10.695 -7.441 1.00 0.38 H new ATOM 0 HB2 SER A 20 1.074 10.059 -4.478 1.00 0.36 H new ATOM 0 HB3 SER A 20 1.591 11.545 -5.250 1.00 0.36 H new ATOM 0 HG SER A 20 -0.569 11.709 -4.387 1.00 0.65 H new ATOM 316 N LEU A 21 2.101 7.937 -5.853 1.00 0.33 N ATOM 317 CA LEU A 21 3.236 6.982 -5.717 1.00 0.36 C ATOM 318 C LEU A 21 3.695 6.531 -7.107 1.00 0.38 C ATOM 319 O LEU A 21 4.873 6.396 -7.368 1.00 0.53 O ATOM 320 CB LEU A 21 2.782 5.764 -4.910 1.00 0.34 C ATOM 321 CG LEU A 21 3.109 5.977 -3.430 1.00 0.51 C ATOM 322 CD1 LEU A 21 2.242 5.050 -2.578 1.00 0.31 C ATOM 323 CD2 LEU A 21 4.587 5.661 -3.176 1.00 0.93 C ATOM 0 H LEU A 21 1.240 7.658 -5.383 1.00 0.33 H new ATOM 0 HA LEU A 21 4.063 7.472 -5.203 1.00 0.36 H new ATOM 0 HB2 LEU A 21 1.711 5.610 -5.037 1.00 0.34 H new ATOM 0 HB3 LEU A 21 3.279 4.866 -5.277 1.00 0.34 H new ATOM 0 HG LEU A 21 2.909 7.015 -3.164 1.00 0.51 H new ATOM 0 HD11 LEU A 21 2.475 5.201 -1.524 1.00 0.31 H new ATOM 0 HD12 LEU A 21 1.190 5.273 -2.753 1.00 0.31 H new ATOM 0 HD13 LEU A 21 2.443 4.013 -2.849 1.00 0.31 H new ATOM 0 HD21 LEU A 21 4.816 5.814 -2.121 1.00 0.93 H new ATOM 0 HD22 LEU A 21 4.789 4.624 -3.444 1.00 0.93 H new ATOM 0 HD23 LEU A 21 5.209 6.320 -3.781 1.00 0.93 H new ATOM 335 N THR A 22 2.772 6.299 -7.999 1.00 0.26 N ATOM 336 CA THR A 22 3.156 5.857 -9.370 1.00 0.29 C ATOM 337 C THR A 22 4.000 6.945 -10.038 1.00 0.29 C ATOM 338 O THR A 22 4.955 6.663 -10.734 1.00 0.34 O ATOM 339 CB THR A 22 1.894 5.608 -10.198 1.00 0.31 C ATOM 340 OG1 THR A 22 1.219 6.839 -10.412 1.00 0.43 O ATOM 341 CG2 THR A 22 0.975 4.640 -9.453 1.00 0.14 C ATOM 0 H THR A 22 1.769 6.396 -7.839 1.00 0.26 H new ATOM 0 HA THR A 22 3.735 4.936 -9.307 1.00 0.29 H new ATOM 0 HB THR A 22 2.169 5.174 -11.159 1.00 0.31 H new ATOM 0 HG1 THR A 22 1.292 7.396 -9.609 1.00 0.43 H new ATOM 0 HG21 THR A 22 0.076 4.464 -10.044 1.00 0.14 H new ATOM 0 HG22 THR A 22 1.495 3.696 -9.292 1.00 0.14 H new ATOM 0 HG23 THR A 22 0.698 5.070 -8.490 1.00 0.14 H new ATOM 349 N GLU A 23 3.654 8.187 -9.835 1.00 0.25 N ATOM 350 CA GLU A 23 4.436 9.289 -10.460 1.00 0.26 C ATOM 351 C GLU A 23 5.906 9.165 -10.056 1.00 0.30 C ATOM 352 O GLU A 23 6.798 9.529 -10.797 1.00 0.29 O ATOM 353 CB GLU A 23 3.888 10.638 -9.988 1.00 0.33 C ATOM 354 CG GLU A 23 3.050 11.267 -11.102 1.00 0.75 C ATOM 355 CD GLU A 23 2.210 12.410 -10.527 1.00 0.58 C ATOM 356 OE1 GLU A 23 1.102 12.143 -10.090 1.00 1.36 O ATOM 357 OE2 GLU A 23 2.689 13.531 -10.533 1.00 1.30 O ATOM 0 H GLU A 23 2.864 8.485 -9.263 1.00 0.25 H new ATOM 0 HA GLU A 23 4.351 9.223 -11.545 1.00 0.26 H new ATOM 0 HB2 GLU A 23 3.280 10.503 -9.094 1.00 0.33 H new ATOM 0 HB3 GLU A 23 4.709 11.302 -9.718 1.00 0.33 H new ATOM 0 HG2 GLU A 23 3.700 11.642 -11.893 1.00 0.75 H new ATOM 0 HG3 GLU A 23 2.401 10.515 -11.552 1.00 0.75 H new ATOM 364 N GLN A 24 6.167 8.653 -8.884 1.00 0.37 N ATOM 365 CA GLN A 24 7.579 8.504 -8.432 1.00 0.44 C ATOM 366 C GLN A 24 8.083 7.104 -8.790 1.00 0.43 C ATOM 367 O GLN A 24 7.330 6.151 -8.817 1.00 0.42 O ATOM 368 CB GLN A 24 7.651 8.700 -6.915 1.00 0.50 C ATOM 369 CG GLN A 24 7.577 10.193 -6.590 1.00 0.32 C ATOM 370 CD GLN A 24 7.056 10.380 -5.165 1.00 1.24 C ATOM 371 OE1 GLN A 24 6.998 9.439 -4.397 1.00 2.18 O ATOM 372 NE2 GLN A 24 6.669 11.564 -4.775 1.00 1.80 N ATOM 0 H GLN A 24 5.463 8.331 -8.220 1.00 0.37 H new ATOM 0 HA GLN A 24 8.201 9.251 -8.925 1.00 0.44 H new ATOM 0 HB2 GLN A 24 6.831 8.170 -6.430 1.00 0.50 H new ATOM 0 HB3 GLN A 24 8.578 8.278 -6.527 1.00 0.50 H new ATOM 0 HG2 GLN A 24 8.563 10.647 -6.691 1.00 0.32 H new ATOM 0 HG3 GLN A 24 6.920 10.698 -7.298 1.00 0.32 H new ATOM 0 HE21 GLN A 24 6.717 12.354 -5.418 1.00 1.80 H new ATOM 0 HE22 GLN A 24 6.318 11.699 -3.827 1.00 1.80 H new ATOM 381 N LYS A 25 9.352 6.971 -9.067 1.00 0.47 N ATOM 382 CA LYS A 25 9.899 5.633 -9.424 1.00 0.47 C ATOM 383 C LYS A 25 11.348 5.525 -8.942 1.00 0.55 C ATOM 384 O LYS A 25 12.279 5.714 -9.700 1.00 1.02 O ATOM 385 CB LYS A 25 9.852 5.451 -10.942 1.00 0.43 C ATOM 386 CG LYS A 25 8.408 5.196 -11.382 1.00 0.54 C ATOM 387 CD LYS A 25 8.376 4.905 -12.884 1.00 0.79 C ATOM 388 CE LYS A 25 6.932 4.662 -13.326 1.00 1.36 C ATOM 389 NZ LYS A 25 6.926 3.837 -14.568 1.00 2.18 N ATOM 0 H LYS A 25 10.032 7.731 -9.061 1.00 0.47 H new ATOM 0 HA LYS A 25 9.300 4.858 -8.946 1.00 0.47 H new ATOM 0 HB2 LYS A 25 10.243 6.340 -11.438 1.00 0.43 H new ATOM 0 HB3 LYS A 25 10.486 4.616 -11.238 1.00 0.43 H new ATOM 0 HG2 LYS A 25 7.991 4.354 -10.829 1.00 0.54 H new ATOM 0 HG3 LYS A 25 7.789 6.064 -11.156 1.00 0.54 H new ATOM 0 HD2 LYS A 25 8.801 5.743 -13.437 1.00 0.79 H new ATOM 0 HD3 LYS A 25 8.988 4.032 -13.109 1.00 0.79 H new ATOM 0 HE2 LYS A 25 6.379 4.154 -12.536 1.00 1.36 H new ATOM 0 HE3 LYS A 25 6.430 5.613 -13.505 1.00 1.36 H new ATOM 0 HZ1 LYS A 25 5.945 3.671 -14.870 1.00 2.18 H new ATOM 0 HZ2 LYS A 25 7.439 4.339 -15.321 1.00 2.18 H new ATOM 0 HZ3 LYS A 25 7.390 2.925 -14.381 1.00 2.18 H new ATOM 403 N THR A 26 11.546 5.220 -7.690 1.00 0.21 N ATOM 404 CA THR A 26 12.934 5.097 -7.162 1.00 0.26 C ATOM 405 C THR A 26 13.412 3.652 -7.325 1.00 0.27 C ATOM 406 O THR A 26 12.705 2.812 -7.845 1.00 0.27 O ATOM 407 CB THR A 26 12.953 5.477 -5.680 1.00 0.26 C ATOM 408 OG1 THR A 26 12.608 4.342 -4.898 1.00 0.33 O ATOM 409 CG2 THR A 26 11.946 6.601 -5.426 1.00 0.32 C ATOM 0 H THR A 26 10.806 5.050 -7.009 1.00 0.21 H new ATOM 0 HA THR A 26 13.595 5.765 -7.715 1.00 0.26 H new ATOM 0 HB THR A 26 13.951 5.819 -5.404 1.00 0.26 H new ATOM 0 HG1 THR A 26 12.163 4.635 -4.075 1.00 0.33 H new ATOM 0 HG21 THR A 26 11.960 6.871 -4.370 1.00 0.32 H new ATOM 0 HG22 THR A 26 12.213 7.471 -6.026 1.00 0.32 H new ATOM 0 HG23 THR A 26 10.947 6.263 -5.700 1.00 0.32 H new ATOM 417 N LEU A 27 14.605 3.355 -6.887 1.00 0.30 N ATOM 418 CA LEU A 27 15.118 1.963 -7.020 1.00 0.32 C ATOM 419 C LEU A 27 14.429 1.065 -5.989 1.00 0.31 C ATOM 420 O LEU A 27 14.468 -0.146 -6.080 1.00 0.34 O ATOM 421 CB LEU A 27 16.633 1.949 -6.787 1.00 0.37 C ATOM 422 CG LEU A 27 16.940 2.279 -5.324 1.00 0.38 C ATOM 423 CD1 LEU A 27 17.305 0.994 -4.576 1.00 0.46 C ATOM 424 CD2 LEU A 27 18.118 3.254 -5.261 1.00 0.23 C ATOM 0 H LEU A 27 15.245 4.014 -6.444 1.00 0.30 H new ATOM 0 HA LEU A 27 14.905 1.592 -8.022 1.00 0.32 H new ATOM 0 HB2 LEU A 27 17.039 0.970 -7.041 1.00 0.37 H new ATOM 0 HB3 LEU A 27 17.117 2.674 -7.441 1.00 0.37 H new ATOM 0 HG LEU A 27 16.063 2.733 -4.862 1.00 0.38 H new ATOM 0 HD11 LEU A 27 17.524 1.229 -3.534 1.00 0.46 H new ATOM 0 HD12 LEU A 27 16.469 0.296 -4.623 1.00 0.46 H new ATOM 0 HD13 LEU A 27 18.182 0.541 -5.038 1.00 0.46 H new ATOM 0 HD21 LEU A 27 18.339 3.491 -4.220 1.00 0.23 H new ATOM 0 HD22 LEU A 27 18.993 2.797 -5.723 1.00 0.23 H new ATOM 0 HD23 LEU A 27 17.862 4.169 -5.795 1.00 0.23 H new ATOM 436 N CYS A 28 13.796 1.652 -5.010 1.00 0.29 N ATOM 437 CA CYS A 28 13.104 0.836 -3.974 1.00 0.28 C ATOM 438 C CYS A 28 12.065 -0.065 -4.646 1.00 0.32 C ATOM 439 O CYS A 28 11.627 -1.049 -4.085 1.00 0.49 O ATOM 440 CB CYS A 28 12.405 1.766 -2.978 1.00 0.22 C ATOM 441 SG CYS A 28 12.804 1.256 -1.288 1.00 0.20 S ATOM 0 H CYS A 28 13.729 2.662 -4.883 1.00 0.29 H new ATOM 0 HA CYS A 28 13.833 0.220 -3.447 1.00 0.28 H new ATOM 0 HB2 CYS A 28 12.722 2.796 -3.142 1.00 0.22 H new ATOM 0 HB3 CYS A 28 11.326 1.736 -3.133 1.00 0.22 H new ATOM 446 N THR A 29 11.669 0.264 -5.845 1.00 0.34 N ATOM 447 CA THR A 29 10.660 -0.575 -6.553 1.00 0.35 C ATOM 448 C THR A 29 11.302 -1.898 -6.974 1.00 0.34 C ATOM 449 O THR A 29 10.694 -2.947 -6.895 1.00 0.62 O ATOM 450 CB THR A 29 10.161 0.168 -7.794 1.00 0.36 C ATOM 451 OG1 THR A 29 11.195 0.210 -8.767 1.00 0.44 O ATOM 452 CG2 THR A 29 9.759 1.593 -7.411 1.00 0.25 C ATOM 0 H THR A 29 12.000 1.077 -6.365 1.00 0.34 H new ATOM 0 HA THR A 29 9.821 -0.775 -5.887 1.00 0.35 H new ATOM 0 HB THR A 29 9.296 -0.352 -8.206 1.00 0.36 H new ATOM 0 HG1 THR A 29 11.764 0.991 -8.606 1.00 0.44 H new ATOM 0 HG21 THR A 29 9.404 2.121 -8.296 1.00 0.25 H new ATOM 0 HG22 THR A 29 8.965 1.559 -6.665 1.00 0.25 H new ATOM 0 HG23 THR A 29 10.622 2.116 -6.998 1.00 0.25 H new ATOM 460 N GLU A 30 12.527 -1.859 -7.422 1.00 0.13 N ATOM 461 CA GLU A 30 13.205 -3.115 -7.848 1.00 0.08 C ATOM 462 C GLU A 30 13.060 -4.171 -6.751 1.00 0.13 C ATOM 463 O GLU A 30 13.120 -5.358 -7.006 1.00 0.43 O ATOM 464 CB GLU A 30 14.689 -2.834 -8.095 1.00 0.11 C ATOM 465 CG GLU A 30 14.833 -1.680 -9.088 1.00 0.81 C ATOM 466 CD GLU A 30 15.908 -2.026 -10.120 1.00 0.78 C ATOM 467 OE1 GLU A 30 15.835 -3.106 -10.683 1.00 0.59 O ATOM 468 OE2 GLU A 30 16.786 -1.204 -10.330 1.00 1.90 O ATOM 0 H GLU A 30 13.087 -1.011 -7.511 1.00 0.13 H new ATOM 0 HA GLU A 30 12.747 -3.482 -8.767 1.00 0.08 H new ATOM 0 HB2 GLU A 30 15.183 -2.584 -7.156 1.00 0.11 H new ATOM 0 HB3 GLU A 30 15.179 -3.726 -8.485 1.00 0.11 H new ATOM 0 HG2 GLU A 30 13.882 -1.494 -9.587 1.00 0.81 H new ATOM 0 HG3 GLU A 30 15.101 -0.764 -8.561 1.00 0.81 H new ATOM 475 N LEU A 31 12.870 -3.750 -5.530 1.00 0.17 N ATOM 476 CA LEU A 31 12.722 -4.731 -4.418 1.00 0.15 C ATOM 477 C LEU A 31 11.389 -5.468 -4.561 1.00 0.15 C ATOM 478 O LEU A 31 10.336 -4.862 -4.618 1.00 0.67 O ATOM 479 CB LEU A 31 12.754 -3.991 -3.079 1.00 0.34 C ATOM 480 CG LEU A 31 13.933 -3.017 -3.061 1.00 0.44 C ATOM 481 CD1 LEU A 31 13.987 -2.304 -1.709 1.00 0.60 C ATOM 482 CD2 LEU A 31 15.235 -3.792 -3.279 1.00 0.46 C ATOM 0 H LEU A 31 12.811 -2.770 -5.255 1.00 0.17 H new ATOM 0 HA LEU A 31 13.540 -5.450 -4.457 1.00 0.15 H new ATOM 0 HB2 LEU A 31 11.820 -3.450 -2.928 1.00 0.34 H new ATOM 0 HB3 LEU A 31 12.845 -4.704 -2.260 1.00 0.34 H new ATOM 0 HG LEU A 31 13.808 -2.281 -3.855 1.00 0.44 H new ATOM 0 HD11 LEU A 31 14.827 -1.610 -1.697 1.00 0.60 H new ATOM 0 HD12 LEU A 31 13.060 -1.754 -1.551 1.00 0.60 H new ATOM 0 HD13 LEU A 31 14.112 -3.040 -0.914 1.00 0.60 H new ATOM 0 HD21 LEU A 31 16.077 -3.100 -3.267 1.00 0.46 H new ATOM 0 HD22 LEU A 31 15.358 -4.527 -2.484 1.00 0.46 H new ATOM 0 HD23 LEU A 31 15.198 -4.301 -4.242 1.00 0.46 H new ATOM 494 N THR A 32 11.425 -6.771 -4.621 1.00 0.38 N ATOM 495 CA THR A 32 10.159 -7.546 -4.761 1.00 0.34 C ATOM 496 C THR A 32 9.543 -7.772 -3.379 1.00 0.30 C ATOM 497 O THR A 32 10.170 -8.315 -2.492 1.00 0.45 O ATOM 498 CB THR A 32 10.457 -8.897 -5.416 1.00 0.59 C ATOM 499 OG1 THR A 32 11.011 -9.777 -4.448 1.00 0.82 O ATOM 500 CG2 THR A 32 11.451 -8.703 -6.561 1.00 0.45 C ATOM 0 H THR A 32 12.276 -7.332 -4.579 1.00 0.38 H new ATOM 0 HA THR A 32 9.459 -6.988 -5.383 1.00 0.34 H new ATOM 0 HB THR A 32 9.534 -9.323 -5.809 1.00 0.59 H new ATOM 0 HG1 THR A 32 11.558 -10.455 -4.897 1.00 0.82 H new ATOM 0 HG21 THR A 32 11.662 -9.666 -7.026 1.00 0.45 H new ATOM 0 HG22 THR A 32 11.025 -8.027 -7.302 1.00 0.45 H new ATOM 0 HG23 THR A 32 12.376 -8.277 -6.172 1.00 0.45 H new ATOM 508 N VAL A 33 8.320 -7.357 -3.190 1.00 0.18 N ATOM 509 CA VAL A 33 7.663 -7.546 -1.866 1.00 0.29 C ATOM 510 C VAL A 33 6.843 -8.838 -1.881 1.00 0.24 C ATOM 511 O VAL A 33 6.863 -9.587 -2.838 1.00 0.25 O ATOM 512 CB VAL A 33 6.739 -6.361 -1.583 1.00 0.38 C ATOM 513 CG1 VAL A 33 7.398 -5.071 -2.073 1.00 0.31 C ATOM 514 CG2 VAL A 33 5.411 -6.563 -2.318 1.00 0.43 C ATOM 0 H VAL A 33 7.747 -6.895 -3.896 1.00 0.18 H new ATOM 0 HA VAL A 33 8.425 -7.609 -1.089 1.00 0.29 H new ATOM 0 HB VAL A 33 6.556 -6.292 -0.511 1.00 0.38 H new ATOM 0 HG11 VAL A 33 6.739 -4.226 -1.871 1.00 0.31 H new ATOM 0 HG12 VAL A 33 8.344 -4.925 -1.552 1.00 0.31 H new ATOM 0 HG13 VAL A 33 7.581 -5.140 -3.145 1.00 0.31 H new ATOM 0 HG21 VAL A 33 4.752 -5.719 -2.117 1.00 0.43 H new ATOM 0 HG22 VAL A 33 5.595 -6.632 -3.390 1.00 0.43 H new ATOM 0 HG23 VAL A 33 4.939 -7.482 -1.971 1.00 0.43 H new ATOM 524 N THR A 34 6.120 -9.104 -0.828 1.00 0.20 N ATOM 525 CA THR A 34 5.299 -10.346 -0.781 1.00 0.19 C ATOM 526 C THR A 34 3.949 -10.088 -1.452 1.00 0.25 C ATOM 527 O THR A 34 3.347 -9.047 -1.279 1.00 0.49 O ATOM 528 CB THR A 34 5.075 -10.755 0.677 1.00 0.18 C ATOM 529 OG1 THR A 34 6.331 -10.966 1.305 1.00 0.11 O ATOM 530 CG2 THR A 34 4.253 -12.043 0.729 1.00 0.28 C ATOM 0 H THR A 34 6.063 -8.514 0.002 1.00 0.20 H new ATOM 0 HA THR A 34 5.819 -11.147 -1.306 1.00 0.19 H new ATOM 0 HB THR A 34 4.536 -9.964 1.198 1.00 0.18 H new ATOM 0 HG1 THR A 34 6.190 -11.226 2.239 1.00 0.11 H new ATOM 0 HG21 THR A 34 4.095 -12.332 1.768 1.00 0.28 H new ATOM 0 HG22 THR A 34 3.289 -11.879 0.247 1.00 0.28 H new ATOM 0 HG23 THR A 34 4.788 -12.837 0.209 1.00 0.28 H new ATOM 538 N ASP A 35 3.467 -11.028 -2.219 1.00 0.07 N ATOM 539 CA ASP A 35 2.157 -10.834 -2.902 1.00 0.09 C ATOM 540 C ASP A 35 1.036 -11.405 -2.029 1.00 0.19 C ATOM 541 O ASP A 35 1.117 -12.517 -1.546 1.00 0.64 O ATOM 542 CB ASP A 35 2.171 -11.558 -4.249 1.00 0.24 C ATOM 543 CG ASP A 35 0.903 -11.209 -5.031 1.00 0.17 C ATOM 544 OD1 ASP A 35 0.809 -10.085 -5.496 1.00 1.21 O ATOM 545 OD2 ASP A 35 0.049 -12.072 -5.152 1.00 0.95 O ATOM 0 H ASP A 35 3.924 -11.921 -2.402 1.00 0.07 H new ATOM 0 HA ASP A 35 1.987 -9.769 -3.063 1.00 0.09 H new ATOM 0 HB2 ASP A 35 3.054 -11.269 -4.820 1.00 0.24 H new ATOM 0 HB3 ASP A 35 2.230 -12.635 -4.094 1.00 0.24 H new ATOM 550 N ILE A 36 -0.009 -10.651 -1.822 1.00 0.25 N ATOM 551 CA ILE A 36 -1.134 -11.149 -0.981 1.00 0.15 C ATOM 552 C ILE A 36 -2.185 -11.809 -1.875 1.00 0.19 C ATOM 553 O ILE A 36 -2.856 -12.741 -1.478 1.00 0.30 O ATOM 554 CB ILE A 36 -1.766 -9.977 -0.230 1.00 0.18 C ATOM 555 CG1 ILE A 36 -2.611 -9.148 -1.200 1.00 0.49 C ATOM 556 CG2 ILE A 36 -0.666 -9.097 0.365 1.00 0.57 C ATOM 557 CD1 ILE A 36 -2.864 -7.763 -0.603 1.00 0.48 C ATOM 0 H ILE A 36 -0.132 -9.711 -2.199 1.00 0.25 H new ATOM 0 HA ILE A 36 -0.757 -11.879 -0.264 1.00 0.15 H new ATOM 0 HB ILE A 36 -2.398 -10.359 0.572 1.00 0.18 H new ATOM 0 HG12 ILE A 36 -2.098 -9.055 -2.157 1.00 0.49 H new ATOM 0 HG13 ILE A 36 -3.559 -9.650 -1.394 1.00 0.49 H new ATOM 0 HG21 ILE A 36 -1.118 -8.262 0.900 1.00 0.57 H new ATOM 0 HG22 ILE A 36 -0.062 -9.686 1.055 1.00 0.57 H new ATOM 0 HG23 ILE A 36 -0.033 -8.715 -0.436 1.00 0.57 H new ATOM 0 HD11 ILE A 36 -3.466 -7.173 -1.294 1.00 0.48 H new ATOM 0 HD12 ILE A 36 -3.395 -7.866 0.343 1.00 0.48 H new ATOM 0 HD13 ILE A 36 -1.912 -7.261 -0.432 1.00 0.48 H new ATOM 569 N PHE A 37 -2.336 -11.333 -3.082 1.00 0.21 N ATOM 570 CA PHE A 37 -3.345 -11.933 -3.999 1.00 0.38 C ATOM 571 C PHE A 37 -2.827 -13.276 -4.518 1.00 0.51 C ATOM 572 O PHE A 37 -3.497 -13.964 -5.263 1.00 0.68 O ATOM 573 CB PHE A 37 -3.587 -10.989 -5.179 1.00 0.43 C ATOM 574 CG PHE A 37 -3.765 -9.579 -4.668 1.00 0.40 C ATOM 575 CD1 PHE A 37 -4.943 -9.221 -4.000 1.00 0.42 C ATOM 576 CD2 PHE A 37 -2.754 -8.631 -4.862 1.00 0.39 C ATOM 577 CE1 PHE A 37 -5.108 -7.913 -3.527 1.00 0.43 C ATOM 578 CE2 PHE A 37 -2.920 -7.324 -4.389 1.00 0.41 C ATOM 579 CZ PHE A 37 -4.097 -6.965 -3.721 1.00 0.43 C ATOM 0 H PHE A 37 -1.804 -10.555 -3.472 1.00 0.21 H new ATOM 0 HA PHE A 37 -4.280 -12.088 -3.460 1.00 0.38 H new ATOM 0 HB2 PHE A 37 -2.747 -11.033 -5.872 1.00 0.43 H new ATOM 0 HB3 PHE A 37 -4.473 -11.301 -5.732 1.00 0.43 H new ATOM 0 HD1 PHE A 37 -5.723 -9.953 -3.850 1.00 0.42 H new ATOM 0 HD2 PHE A 37 -1.846 -8.908 -5.377 1.00 0.39 H new ATOM 0 HE1 PHE A 37 -6.016 -7.636 -3.012 1.00 0.43 H new ATOM 0 HE2 PHE A 37 -2.140 -6.592 -4.539 1.00 0.41 H new ATOM 0 HZ PHE A 37 -4.225 -5.957 -3.356 1.00 0.43 H new ATOM 589 N ALA A 38 -1.640 -13.654 -4.131 1.00 0.51 N ATOM 590 CA ALA A 38 -1.081 -14.952 -4.603 1.00 0.69 C ATOM 591 C ALA A 38 -1.738 -16.100 -3.834 1.00 0.47 C ATOM 592 O ALA A 38 -1.505 -17.260 -4.111 1.00 0.35 O ATOM 593 CB ALA A 38 0.429 -14.975 -4.361 1.00 0.91 C ATOM 0 H ALA A 38 -1.033 -13.120 -3.509 1.00 0.51 H new ATOM 0 HA ALA A 38 -1.280 -15.067 -5.668 1.00 0.69 H new ATOM 0 HB1 ALA A 38 0.838 -15.924 -4.706 1.00 0.91 H new ATOM 0 HB2 ALA A 38 0.898 -14.157 -4.908 1.00 0.91 H new ATOM 0 HB3 ALA A 38 0.629 -14.860 -3.296 1.00 0.91 H new ATOM 599 N ALA A 39 -2.560 -15.785 -2.869 1.00 0.45 N ATOM 600 CA ALA A 39 -3.230 -16.859 -2.083 1.00 0.26 C ATOM 601 C ALA A 39 -4.395 -16.260 -1.291 1.00 0.38 C ATOM 602 O ALA A 39 -4.234 -15.826 -0.168 1.00 0.94 O ATOM 603 CB ALA A 39 -2.227 -17.488 -1.116 1.00 0.53 C ATOM 0 H ALA A 39 -2.796 -14.832 -2.592 1.00 0.45 H new ATOM 0 HA ALA A 39 -3.606 -17.624 -2.762 1.00 0.26 H new ATOM 0 HB1 ALA A 39 -2.719 -18.273 -0.542 1.00 0.53 H new ATOM 0 HB2 ALA A 39 -1.397 -17.915 -1.679 1.00 0.53 H new ATOM 0 HB3 ALA A 39 -1.849 -16.724 -0.436 1.00 0.53 H new ATOM 609 N SER A 40 -5.565 -16.230 -1.869 1.00 0.49 N ATOM 610 CA SER A 40 -6.739 -15.659 -1.150 1.00 0.48 C ATOM 611 C SER A 40 -8.001 -16.429 -1.544 1.00 0.14 C ATOM 612 O SER A 40 -8.291 -16.609 -2.710 1.00 0.23 O ATOM 613 CB SER A 40 -6.902 -14.186 -1.530 1.00 0.72 C ATOM 614 OG SER A 40 -5.973 -13.405 -0.789 1.00 2.21 O ATOM 0 H SER A 40 -5.758 -16.576 -2.809 1.00 0.49 H new ATOM 0 HA SER A 40 -6.583 -15.742 -0.074 1.00 0.48 H new ATOM 0 HB2 SER A 40 -6.735 -14.054 -2.599 1.00 0.72 H new ATOM 0 HB3 SER A 40 -7.920 -13.855 -1.323 1.00 0.72 H new ATOM 0 HG SER A 40 -5.321 -13.995 -0.357 1.00 2.21 H new ATOM 620 N LYS A 41 -8.752 -16.887 -0.579 1.00 0.50 N ATOM 621 CA LYS A 41 -9.995 -17.646 -0.896 1.00 0.78 C ATOM 622 C LYS A 41 -11.060 -17.343 0.160 1.00 0.73 C ATOM 623 O LYS A 41 -12.039 -16.676 -0.107 1.00 0.97 O ATOM 624 CB LYS A 41 -9.690 -19.147 -0.896 1.00 0.95 C ATOM 625 CG LYS A 41 -8.335 -19.395 -1.562 1.00 0.75 C ATOM 626 CD LYS A 41 -8.083 -20.901 -1.664 1.00 1.09 C ATOM 627 CE LYS A 41 -6.815 -21.260 -0.889 1.00 0.66 C ATOM 628 NZ LYS A 41 -5.638 -20.610 -1.532 1.00 0.78 N ATOM 0 H LYS A 41 -8.558 -16.768 0.415 1.00 0.50 H new ATOM 0 HA LYS A 41 -10.362 -17.349 -1.879 1.00 0.78 H new ATOM 0 HB2 LYS A 41 -9.679 -19.526 0.126 1.00 0.95 H new ATOM 0 HB3 LYS A 41 -10.473 -19.687 -1.428 1.00 0.95 H new ATOM 0 HG2 LYS A 41 -8.318 -18.945 -2.555 1.00 0.75 H new ATOM 0 HG3 LYS A 41 -7.542 -18.921 -0.984 1.00 0.75 H new ATOM 0 HD2 LYS A 41 -8.935 -21.451 -1.263 1.00 1.09 H new ATOM 0 HD3 LYS A 41 -7.978 -21.193 -2.709 1.00 1.09 H new ATOM 0 HE2 LYS A 41 -6.904 -20.932 0.147 1.00 0.66 H new ATOM 0 HE3 LYS A 41 -6.681 -22.342 -0.871 1.00 0.66 H new ATOM 0 HZ1 LYS A 41 -4.786 -21.178 -1.351 1.00 0.78 H new ATOM 0 HZ2 LYS A 41 -5.797 -20.541 -2.557 1.00 0.78 H new ATOM 0 HZ3 LYS A 41 -5.509 -19.657 -1.137 1.00 0.78 H new ATOM 642 N ASP A 42 -10.877 -17.827 1.358 1.00 0.52 N ATOM 643 CA ASP A 42 -11.878 -17.565 2.429 1.00 0.56 C ATOM 644 C ASP A 42 -11.472 -16.316 3.213 1.00 0.51 C ATOM 645 O ASP A 42 -11.832 -16.147 4.360 1.00 0.82 O ATOM 646 CB ASP A 42 -11.937 -18.765 3.377 1.00 0.50 C ATOM 647 CG ASP A 42 -12.586 -19.951 2.660 1.00 1.39 C ATOM 648 OD1 ASP A 42 -12.428 -20.047 1.454 1.00 2.34 O ATOM 649 OD2 ASP A 42 -13.230 -20.742 3.329 1.00 2.22 O ATOM 0 H ASP A 42 -10.077 -18.393 1.641 1.00 0.52 H new ATOM 0 HA ASP A 42 -12.858 -17.409 1.979 1.00 0.56 H new ATOM 0 HB2 ASP A 42 -10.933 -19.031 3.707 1.00 0.50 H new ATOM 0 HB3 ASP A 42 -12.508 -18.509 4.269 1.00 0.50 H new ATOM 654 N THR A 43 -10.724 -15.438 2.601 1.00 0.43 N ATOM 655 CA THR A 43 -10.294 -14.201 3.311 1.00 0.34 C ATOM 656 C THR A 43 -11.295 -13.078 3.032 1.00 0.64 C ATOM 657 O THR A 43 -11.811 -12.951 1.939 1.00 0.79 O ATOM 658 CB THR A 43 -8.908 -13.784 2.817 1.00 0.19 C ATOM 659 OG1 THR A 43 -8.740 -14.208 1.471 1.00 0.37 O ATOM 660 CG2 THR A 43 -7.834 -14.429 3.695 1.00 0.47 C ATOM 0 H THR A 43 -10.393 -15.525 1.640 1.00 0.43 H new ATOM 0 HA THR A 43 -10.254 -14.393 4.383 1.00 0.34 H new ATOM 0 HB THR A 43 -8.814 -12.699 2.872 1.00 0.19 H new ATOM 0 HG1 THR A 43 -7.853 -13.940 1.152 1.00 0.37 H new ATOM 0 HG21 THR A 43 -6.847 -14.131 3.341 1.00 0.47 H new ATOM 0 HG22 THR A 43 -7.963 -14.103 4.727 1.00 0.47 H new ATOM 0 HG23 THR A 43 -7.925 -15.514 3.643 1.00 0.47 H new ATOM 668 N THR A 44 -11.574 -12.261 4.010 1.00 0.84 N ATOM 669 CA THR A 44 -12.541 -11.147 3.798 1.00 1.13 C ATOM 670 C THR A 44 -11.788 -9.903 3.323 1.00 0.92 C ATOM 671 O THR A 44 -10.574 -9.857 3.335 1.00 0.84 O ATOM 672 CB THR A 44 -13.259 -10.837 5.115 1.00 1.47 C ATOM 673 OG1 THR A 44 -13.943 -11.999 5.563 1.00 1.40 O ATOM 674 CG2 THR A 44 -14.262 -9.704 4.898 1.00 2.51 C ATOM 0 H THR A 44 -11.174 -12.317 4.947 1.00 0.84 H new ATOM 0 HA THR A 44 -13.273 -11.439 3.045 1.00 1.13 H new ATOM 0 HB THR A 44 -12.529 -10.532 5.865 1.00 1.47 H new ATOM 0 HG1 THR A 44 -14.402 -11.804 6.407 1.00 1.40 H new ATOM 0 HG21 THR A 44 -14.772 -9.485 5.836 1.00 2.51 H new ATOM 0 HG22 THR A 44 -13.736 -8.813 4.554 1.00 2.51 H new ATOM 0 HG23 THR A 44 -14.994 -10.005 4.149 1.00 2.51 H new ATOM 682 N GLU A 45 -12.499 -8.891 2.904 1.00 0.82 N ATOM 683 CA GLU A 45 -11.822 -7.652 2.429 1.00 0.62 C ATOM 684 C GLU A 45 -10.868 -7.144 3.513 1.00 0.55 C ATOM 685 O GLU A 45 -9.795 -6.653 3.228 1.00 0.38 O ATOM 686 CB GLU A 45 -12.873 -6.581 2.129 1.00 0.76 C ATOM 687 CG GLU A 45 -14.220 -7.250 1.852 1.00 1.22 C ATOM 688 CD GLU A 45 -15.146 -6.260 1.143 1.00 1.28 C ATOM 689 OE1 GLU A 45 -15.658 -5.375 1.808 1.00 2.38 O ATOM 690 OE2 GLU A 45 -15.328 -6.404 -0.055 1.00 0.95 O ATOM 0 H GLU A 45 -13.518 -8.869 2.870 1.00 0.82 H new ATOM 0 HA GLU A 45 -11.257 -7.870 1.523 1.00 0.62 H new ATOM 0 HB2 GLU A 45 -12.962 -5.897 2.973 1.00 0.76 H new ATOM 0 HB3 GLU A 45 -12.566 -5.987 1.268 1.00 0.76 H new ATOM 0 HG2 GLU A 45 -14.077 -8.137 1.235 1.00 1.22 H new ATOM 0 HG3 GLU A 45 -14.672 -7.582 2.787 1.00 1.22 H new ATOM 697 N LYS A 46 -11.251 -7.260 4.756 1.00 0.78 N ATOM 698 CA LYS A 46 -10.364 -6.786 5.855 1.00 0.90 C ATOM 699 C LYS A 46 -9.038 -7.547 5.805 1.00 0.73 C ATOM 700 O LYS A 46 -7.993 -7.013 6.117 1.00 0.84 O ATOM 701 CB LYS A 46 -11.046 -7.031 7.203 1.00 1.19 C ATOM 702 CG LYS A 46 -11.974 -5.859 7.523 1.00 1.81 C ATOM 703 CD LYS A 46 -13.012 -6.293 8.559 1.00 0.93 C ATOM 704 CE LYS A 46 -12.302 -6.906 9.768 1.00 2.85 C ATOM 705 NZ LYS A 46 -11.164 -6.033 10.170 1.00 4.00 N ATOM 0 H LYS A 46 -12.139 -7.662 5.057 1.00 0.78 H new ATOM 0 HA LYS A 46 -10.174 -5.720 5.734 1.00 0.90 H new ATOM 0 HB2 LYS A 46 -11.614 -7.961 7.172 1.00 1.19 H new ATOM 0 HB3 LYS A 46 -10.297 -7.141 7.987 1.00 1.19 H new ATOM 0 HG2 LYS A 46 -11.395 -5.018 7.904 1.00 1.81 H new ATOM 0 HG3 LYS A 46 -12.472 -5.518 6.615 1.00 1.81 H new ATOM 0 HD2 LYS A 46 -13.610 -5.437 8.871 1.00 0.93 H new ATOM 0 HD3 LYS A 46 -13.698 -7.018 8.121 1.00 0.93 H new ATOM 0 HE2 LYS A 46 -13.001 -7.015 10.597 1.00 2.85 H new ATOM 0 HE3 LYS A 46 -11.940 -7.904 9.523 1.00 2.85 H new ATOM 0 HZ1 LYS A 46 -11.007 -6.117 11.195 1.00 4.00 H new ATOM 0 HZ2 LYS A 46 -10.305 -6.327 9.663 1.00 4.00 H new ATOM 0 HZ3 LYS A 46 -11.384 -5.044 9.934 1.00 4.00 H new ATOM 719 N GLU A 47 -9.071 -8.791 5.412 1.00 0.63 N ATOM 720 CA GLU A 47 -7.813 -9.583 5.339 1.00 0.61 C ATOM 721 C GLU A 47 -6.979 -9.107 4.148 1.00 0.60 C ATOM 722 O GLU A 47 -5.768 -9.098 4.193 1.00 0.63 O ATOM 723 CB GLU A 47 -8.153 -11.065 5.163 1.00 0.63 C ATOM 724 CG GLU A 47 -8.306 -11.721 6.536 1.00 0.84 C ATOM 725 CD GLU A 47 -6.928 -11.877 7.184 1.00 2.07 C ATOM 726 OE1 GLU A 47 -6.268 -12.860 6.893 1.00 2.68 O ATOM 727 OE2 GLU A 47 -6.558 -11.010 7.958 1.00 2.73 O ATOM 0 H GLU A 47 -9.916 -9.292 5.138 1.00 0.63 H new ATOM 0 HA GLU A 47 -7.244 -9.447 6.259 1.00 0.61 H new ATOM 0 HB2 GLU A 47 -9.076 -11.172 4.593 1.00 0.63 H new ATOM 0 HB3 GLU A 47 -7.368 -11.564 4.595 1.00 0.63 H new ATOM 0 HG2 GLU A 47 -8.951 -11.114 7.171 1.00 0.84 H new ATOM 0 HG3 GLU A 47 -8.784 -12.695 6.434 1.00 0.84 H new ATOM 734 N THR A 48 -7.619 -8.708 3.084 1.00 0.56 N ATOM 735 CA THR A 48 -6.857 -8.234 1.894 1.00 0.56 C ATOM 736 C THR A 48 -6.118 -6.941 2.243 1.00 0.55 C ATOM 737 O THR A 48 -4.922 -6.832 2.064 1.00 0.56 O ATOM 738 CB THR A 48 -7.825 -7.974 0.738 1.00 0.53 C ATOM 739 OG1 THR A 48 -8.815 -8.994 0.712 1.00 0.48 O ATOM 740 CG2 THR A 48 -7.056 -7.972 -0.584 1.00 0.51 C ATOM 0 H THR A 48 -8.634 -8.689 2.987 1.00 0.56 H new ATOM 0 HA THR A 48 -6.135 -8.995 1.598 1.00 0.56 H new ATOM 0 HB THR A 48 -8.305 -7.005 0.877 1.00 0.53 H new ATOM 0 HG1 THR A 48 -9.437 -8.828 -0.027 1.00 0.48 H new ATOM 0 HG21 THR A 48 -7.747 -7.787 -1.407 1.00 0.51 H new ATOM 0 HG22 THR A 48 -6.298 -7.189 -0.563 1.00 0.51 H new ATOM 0 HG23 THR A 48 -6.574 -8.939 -0.726 1.00 0.51 H new ATOM 748 N PHE A 49 -6.821 -5.961 2.740 1.00 0.53 N ATOM 749 CA PHE A 49 -6.156 -4.678 3.098 1.00 0.53 C ATOM 750 C PHE A 49 -5.130 -4.928 4.206 1.00 0.51 C ATOM 751 O PHE A 49 -4.087 -4.307 4.250 1.00 0.54 O ATOM 752 CB PHE A 49 -7.206 -3.678 3.593 1.00 0.54 C ATOM 753 CG PHE A 49 -8.321 -3.570 2.579 1.00 0.42 C ATOM 754 CD1 PHE A 49 -8.048 -3.112 1.286 1.00 0.45 C ATOM 755 CD2 PHE A 49 -9.629 -3.927 2.933 1.00 0.39 C ATOM 756 CE1 PHE A 49 -9.081 -3.010 0.346 1.00 0.39 C ATOM 757 CE2 PHE A 49 -10.660 -3.826 1.993 1.00 0.29 C ATOM 758 CZ PHE A 49 -10.387 -3.368 0.699 1.00 0.25 C ATOM 0 H PHE A 49 -7.826 -5.994 2.913 1.00 0.53 H new ATOM 0 HA PHE A 49 -5.653 -4.273 2.220 1.00 0.53 H new ATOM 0 HB2 PHE A 49 -7.605 -4.001 4.555 1.00 0.54 H new ATOM 0 HB3 PHE A 49 -6.748 -2.702 3.750 1.00 0.54 H new ATOM 0 HD1 PHE A 49 -7.040 -2.837 1.012 1.00 0.45 H new ATOM 0 HD2 PHE A 49 -9.841 -4.280 3.931 1.00 0.39 H new ATOM 0 HE1 PHE A 49 -8.870 -2.655 -0.652 1.00 0.39 H new ATOM 0 HE2 PHE A 49 -11.668 -4.102 2.266 1.00 0.29 H new ATOM 0 HZ PHE A 49 -11.183 -3.291 -0.026 1.00 0.25 H new ATOM 768 N CYS A 50 -5.417 -5.834 5.101 1.00 0.46 N ATOM 769 CA CYS A 50 -4.456 -6.122 6.203 1.00 0.43 C ATOM 770 C CYS A 50 -3.210 -6.799 5.628 1.00 0.40 C ATOM 771 O CYS A 50 -2.104 -6.325 5.789 1.00 0.45 O ATOM 772 CB CYS A 50 -5.112 -7.050 7.227 1.00 0.38 C ATOM 773 SG CYS A 50 -3.857 -7.643 8.389 1.00 0.36 S ATOM 0 H CYS A 50 -6.274 -6.386 5.117 1.00 0.46 H new ATOM 0 HA CYS A 50 -4.173 -5.188 6.689 1.00 0.43 H new ATOM 0 HB2 CYS A 50 -5.899 -6.520 7.763 1.00 0.38 H new ATOM 0 HB3 CYS A 50 -5.583 -7.893 6.721 1.00 0.38 H new ATOM 778 N ARG A 51 -3.382 -7.906 4.959 1.00 0.36 N ATOM 779 CA ARG A 51 -2.208 -8.612 4.374 1.00 0.36 C ATOM 780 C ARG A 51 -1.337 -7.602 3.627 1.00 0.40 C ATOM 781 O ARG A 51 -0.130 -7.579 3.771 1.00 0.40 O ATOM 782 CB ARG A 51 -2.693 -9.690 3.400 1.00 0.38 C ATOM 783 CG ARG A 51 -3.590 -10.686 4.139 1.00 0.58 C ATOM 784 CD ARG A 51 -2.807 -11.967 4.424 1.00 0.98 C ATOM 785 NE ARG A 51 -3.528 -12.772 5.450 1.00 1.84 N ATOM 786 CZ ARG A 51 -3.219 -14.026 5.630 1.00 2.65 C ATOM 787 NH1 ARG A 51 -2.279 -14.576 4.911 1.00 2.99 N ATOM 788 NH2 ARG A 51 -3.848 -14.732 6.531 1.00 3.71 N ATOM 0 H ARG A 51 -4.284 -8.352 4.792 1.00 0.36 H new ATOM 0 HA ARG A 51 -1.627 -9.080 5.169 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -3.243 -9.231 2.578 1.00 0.38 H new ATOM 0 HB3 ARG A 51 -1.840 -10.209 2.962 1.00 0.38 H new ATOM 0 HG2 ARG A 51 -3.944 -10.249 5.073 1.00 0.58 H new ATOM 0 HG3 ARG A 51 -4.471 -10.912 3.539 1.00 0.58 H new ATOM 0 HD2 ARG A 51 -2.690 -12.546 3.508 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -1.805 -11.723 4.776 1.00 0.98 H new ATOM 0 HE ARG A 51 -4.263 -12.342 6.011 1.00 1.84 H new ATOM 0 HH11 ARG A 51 -1.786 -14.025 4.208 1.00 2.99 H new ATOM 0 HH12 ARG A 51 -2.037 -15.557 5.052 1.00 2.99 H new ATOM 0 HH21 ARG A 51 -4.582 -14.303 7.095 1.00 3.71 H new ATOM 0 HH22 ARG A 51 -3.606 -15.713 6.671 1.00 3.71 H new ATOM 802 N ALA A 52 -1.941 -6.764 2.831 1.00 0.48 N ATOM 803 CA ALA A 52 -1.150 -5.752 2.076 1.00 0.57 C ATOM 804 C ALA A 52 -0.411 -4.847 3.064 1.00 0.51 C ATOM 805 O ALA A 52 0.795 -4.712 3.015 1.00 0.65 O ATOM 806 CB ALA A 52 -2.092 -4.906 1.216 1.00 0.70 C ATOM 0 H ALA A 52 -2.948 -6.736 2.671 1.00 0.48 H new ATOM 0 HA ALA A 52 -0.429 -6.258 1.434 1.00 0.57 H new ATOM 0 HB1 ALA A 52 -1.514 -4.165 0.663 1.00 0.70 H new ATOM 0 HB2 ALA A 52 -2.621 -5.551 0.514 1.00 0.70 H new ATOM 0 HB3 ALA A 52 -2.813 -4.399 1.857 1.00 0.70 H new ATOM 812 N ALA A 53 -1.126 -4.226 3.962 1.00 0.44 N ATOM 813 CA ALA A 53 -0.464 -3.333 4.953 1.00 0.36 C ATOM 814 C ALA A 53 0.729 -4.058 5.575 1.00 0.34 C ATOM 815 O ALA A 53 1.824 -3.533 5.638 1.00 0.37 O ATOM 816 CB ALA A 53 -1.463 -2.958 6.051 1.00 0.36 C ATOM 0 H ALA A 53 -2.139 -4.299 4.052 1.00 0.44 H new ATOM 0 HA ALA A 53 -0.119 -2.428 4.453 1.00 0.36 H new ATOM 0 HB1 ALA A 53 -0.978 -2.304 6.776 1.00 0.36 H new ATOM 0 HB2 ALA A 53 -2.314 -2.440 5.608 1.00 0.36 H new ATOM 0 HB3 ALA A 53 -1.809 -3.862 6.552 1.00 0.36 H new ATOM 822 N THR A 54 0.531 -5.266 6.033 1.00 0.30 N ATOM 823 CA THR A 54 1.659 -6.021 6.646 1.00 0.28 C ATOM 824 C THR A 54 2.879 -5.933 5.728 1.00 0.29 C ATOM 825 O THR A 54 3.983 -5.682 6.168 1.00 0.28 O ATOM 826 CB THR A 54 1.255 -7.488 6.821 1.00 0.26 C ATOM 827 OG1 THR A 54 0.007 -7.556 7.497 1.00 0.26 O ATOM 828 CG2 THR A 54 2.322 -8.218 7.638 1.00 0.24 C ATOM 0 H THR A 54 -0.361 -5.760 6.009 1.00 0.30 H new ATOM 0 HA THR A 54 1.901 -5.594 7.619 1.00 0.28 H new ATOM 0 HB THR A 54 1.164 -7.960 5.843 1.00 0.26 H new ATOM 0 HG1 THR A 54 -0.254 -8.494 7.608 1.00 0.26 H new ATOM 0 HG21 THR A 54 2.034 -9.262 7.762 1.00 0.24 H new ATOM 0 HG22 THR A 54 3.278 -8.165 7.118 1.00 0.24 H new ATOM 0 HG23 THR A 54 2.415 -7.748 8.617 1.00 0.24 H new ATOM 836 N VAL A 55 2.685 -6.134 4.453 1.00 0.29 N ATOM 837 CA VAL A 55 3.831 -6.056 3.505 1.00 0.30 C ATOM 838 C VAL A 55 4.400 -4.636 3.513 1.00 0.31 C ATOM 839 O VAL A 55 5.543 -4.414 3.859 1.00 0.31 O ATOM 840 CB VAL A 55 3.349 -6.403 2.095 1.00 0.30 C ATOM 841 CG1 VAL A 55 4.529 -6.347 1.123 1.00 0.31 C ATOM 842 CG2 VAL A 55 2.754 -7.814 2.093 1.00 0.26 C ATOM 0 H VAL A 55 1.783 -6.349 4.028 1.00 0.29 H new ATOM 0 HA VAL A 55 4.605 -6.761 3.809 1.00 0.30 H new ATOM 0 HB VAL A 55 2.589 -5.686 1.785 1.00 0.30 H new ATOM 0 HG11 VAL A 55 4.185 -6.594 0.119 1.00 0.31 H new ATOM 0 HG12 VAL A 55 4.954 -5.343 1.124 1.00 0.31 H new ATOM 0 HG13 VAL A 55 5.290 -7.064 1.433 1.00 0.31 H new ATOM 0 HG21 VAL A 55 2.410 -8.062 1.089 1.00 0.26 H new ATOM 0 HG22 VAL A 55 3.515 -8.530 2.404 1.00 0.26 H new ATOM 0 HG23 VAL A 55 1.913 -7.855 2.785 1.00 0.26 H new ATOM 852 N LEU A 56 3.607 -3.669 3.137 1.00 0.32 N ATOM 853 CA LEU A 56 4.101 -2.264 3.127 1.00 0.32 C ATOM 854 C LEU A 56 4.804 -1.966 4.451 1.00 0.32 C ATOM 855 O LEU A 56 5.733 -1.186 4.511 1.00 0.33 O ATOM 856 CB LEU A 56 2.920 -1.304 2.951 1.00 0.33 C ATOM 857 CG LEU A 56 2.043 -1.771 1.786 1.00 0.29 C ATOM 858 CD1 LEU A 56 0.960 -0.726 1.514 1.00 0.33 C ATOM 859 CD2 LEU A 56 2.905 -1.946 0.533 1.00 0.74 C ATOM 0 H LEU A 56 2.640 -3.792 2.837 1.00 0.32 H new ATOM 0 HA LEU A 56 4.801 -2.131 2.302 1.00 0.32 H new ATOM 0 HB2 LEU A 56 2.332 -1.264 3.868 1.00 0.33 H new ATOM 0 HB3 LEU A 56 3.285 -0.294 2.762 1.00 0.33 H new ATOM 0 HG LEU A 56 1.577 -2.723 2.042 1.00 0.29 H new ATOM 0 HD11 LEU A 56 0.335 -1.057 0.685 1.00 0.33 H new ATOM 0 HD12 LEU A 56 0.344 -0.600 2.405 1.00 0.33 H new ATOM 0 HD13 LEU A 56 1.428 0.225 1.258 1.00 0.33 H new ATOM 0 HD21 LEU A 56 2.279 -2.278 -0.295 1.00 0.74 H new ATOM 0 HD22 LEU A 56 3.371 -0.995 0.277 1.00 0.74 H new ATOM 0 HD23 LEU A 56 3.679 -2.690 0.725 1.00 0.74 H new ATOM 871 N ARG A 57 4.371 -2.582 5.515 1.00 0.31 N ATOM 872 CA ARG A 57 5.019 -2.333 6.833 1.00 0.31 C ATOM 873 C ARG A 57 6.492 -2.741 6.760 1.00 0.33 C ATOM 874 O ARG A 57 7.381 -1.922 6.888 1.00 0.30 O ATOM 875 CB ARG A 57 4.314 -3.157 7.912 1.00 0.34 C ATOM 876 CG ARG A 57 4.489 -2.476 9.271 1.00 0.40 C ATOM 877 CD ARG A 57 4.323 -3.511 10.385 1.00 0.84 C ATOM 878 NE ARG A 57 4.309 -2.822 11.706 1.00 1.00 N ATOM 879 CZ ARG A 57 3.885 -3.451 12.767 1.00 1.09 C ATOM 880 NH1 ARG A 57 3.471 -4.685 12.670 1.00 1.01 N ATOM 881 NH2 ARG A 57 3.873 -2.848 13.923 1.00 1.72 N ATOM 0 H ARG A 57 3.597 -3.246 5.529 1.00 0.31 H new ATOM 0 HA ARG A 57 4.946 -1.274 7.080 1.00 0.31 H new ATOM 0 HB2 ARG A 57 3.254 -3.254 7.676 1.00 0.34 H new ATOM 0 HB3 ARG A 57 4.727 -4.165 7.943 1.00 0.34 H new ATOM 0 HG2 ARG A 57 5.474 -2.013 9.334 1.00 0.40 H new ATOM 0 HG3 ARG A 57 3.754 -1.679 9.388 1.00 0.40 H new ATOM 0 HD2 ARG A 57 3.397 -4.068 10.244 1.00 0.84 H new ATOM 0 HD3 ARG A 57 5.138 -4.234 10.349 1.00 0.84 H new ATOM 0 HE ARG A 57 4.631 -1.857 11.781 1.00 1.00 H new ATOM 0 HH11 ARG A 57 3.479 -5.156 11.765 1.00 1.01 H new ATOM 0 HH12 ARG A 57 3.139 -5.178 13.499 1.00 1.01 H new ATOM 0 HH21 ARG A 57 4.195 -1.883 13.998 1.00 1.72 H new ATOM 0 HH22 ARG A 57 3.541 -3.341 14.752 1.00 1.72 H new ATOM 895 N GLN A 58 6.756 -4.003 6.557 1.00 0.37 N ATOM 896 CA GLN A 58 8.170 -4.466 6.478 1.00 0.38 C ATOM 897 C GLN A 58 8.847 -3.853 5.250 1.00 0.37 C ATOM 898 O GLN A 58 10.024 -4.048 5.018 1.00 0.39 O ATOM 899 CB GLN A 58 8.199 -5.992 6.367 1.00 0.41 C ATOM 900 CG GLN A 58 7.273 -6.439 5.235 1.00 0.22 C ATOM 901 CD GLN A 58 7.369 -7.957 5.066 1.00 0.36 C ATOM 902 OE1 GLN A 58 7.841 -8.649 5.945 1.00 1.10 O ATOM 903 NE2 GLN A 58 6.938 -8.506 3.963 1.00 1.14 N ATOM 0 H GLN A 58 6.053 -4.733 6.442 1.00 0.37 H new ATOM 0 HA GLN A 58 8.703 -4.154 7.376 1.00 0.38 H new ATOM 0 HB2 GLN A 58 9.216 -6.334 6.176 1.00 0.41 H new ATOM 0 HB3 GLN A 58 7.883 -6.442 7.308 1.00 0.41 H new ATOM 0 HG2 GLN A 58 6.245 -6.151 5.457 1.00 0.22 H new ATOM 0 HG3 GLN A 58 7.550 -5.941 4.306 1.00 0.22 H new ATOM 0 HE21 GLN A 58 6.542 -7.924 3.225 1.00 1.14 H new ATOM 0 HE22 GLN A 58 6.998 -9.517 3.839 1.00 1.14 H new ATOM 912 N PHE A 59 8.117 -3.117 4.457 1.00 0.35 N ATOM 913 CA PHE A 59 8.729 -2.501 3.245 1.00 0.33 C ATOM 914 C PHE A 59 9.426 -1.192 3.625 1.00 0.33 C ATOM 915 O PHE A 59 10.637 -1.097 3.608 1.00 0.38 O ATOM 916 CB PHE A 59 7.639 -2.214 2.209 1.00 0.31 C ATOM 917 CG PHE A 59 8.281 -1.821 0.901 1.00 0.32 C ATOM 918 CD1 PHE A 59 8.754 -2.809 0.029 1.00 0.30 C ATOM 919 CD2 PHE A 59 8.406 -0.469 0.560 1.00 0.37 C ATOM 920 CE1 PHE A 59 9.350 -2.444 -1.185 1.00 0.33 C ATOM 921 CE2 PHE A 59 9.001 -0.105 -0.653 1.00 0.40 C ATOM 922 CZ PHE A 59 9.473 -1.092 -1.526 1.00 0.38 C ATOM 0 H PHE A 59 7.127 -2.916 4.595 1.00 0.35 H new ATOM 0 HA PHE A 59 9.460 -3.191 2.824 1.00 0.33 H new ATOM 0 HB2 PHE A 59 7.014 -3.096 2.069 1.00 0.31 H new ATOM 0 HB3 PHE A 59 6.988 -1.414 2.562 1.00 0.31 H new ATOM 0 HD1 PHE A 59 8.659 -3.852 0.292 1.00 0.30 H new ATOM 0 HD2 PHE A 59 8.043 0.293 1.233 1.00 0.37 H new ATOM 0 HE1 PHE A 59 9.715 -3.206 -1.858 1.00 0.33 H new ATOM 0 HE2 PHE A 59 9.096 0.938 -0.916 1.00 0.40 H new ATOM 0 HZ PHE A 59 9.932 -0.811 -2.462 1.00 0.38 H new ATOM 932 N TYR A 60 8.674 -0.178 3.960 1.00 0.27 N ATOM 933 CA TYR A 60 9.302 1.122 4.331 1.00 0.25 C ATOM 934 C TYR A 60 9.925 1.021 5.725 1.00 0.29 C ATOM 935 O TYR A 60 10.574 1.937 6.190 1.00 0.29 O ATOM 936 CB TYR A 60 8.241 2.228 4.325 1.00 0.19 C ATOM 937 CG TYR A 60 7.208 1.949 5.391 1.00 0.21 C ATOM 938 CD1 TYR A 60 7.472 2.273 6.727 1.00 0.23 C ATOM 939 CD2 TYR A 60 5.983 1.367 5.042 1.00 0.22 C ATOM 940 CE1 TYR A 60 6.513 2.015 7.713 1.00 0.26 C ATOM 941 CE2 TYR A 60 5.024 1.109 6.028 1.00 0.26 C ATOM 942 CZ TYR A 60 5.288 1.434 7.364 1.00 0.28 C ATOM 943 OH TYR A 60 4.342 1.179 8.335 1.00 0.33 O ATOM 0 H TYR A 60 7.655 -0.194 3.993 1.00 0.27 H new ATOM 0 HA TYR A 60 10.080 1.360 3.606 1.00 0.25 H new ATOM 0 HB2 TYR A 60 8.710 3.196 4.504 1.00 0.19 H new ATOM 0 HB3 TYR A 60 7.763 2.281 3.347 1.00 0.19 H new ATOM 0 HD1 TYR A 60 8.416 2.722 6.997 1.00 0.23 H new ATOM 0 HD2 TYR A 60 5.778 1.117 4.011 1.00 0.22 H new ATOM 0 HE1 TYR A 60 6.718 2.264 8.744 1.00 0.26 H new ATOM 0 HE2 TYR A 60 4.080 0.659 5.758 1.00 0.26 H new ATOM 0 HH TYR A 60 3.550 0.775 7.922 1.00 0.33 H new ATOM 953 N SER A 61 9.736 -0.083 6.396 1.00 0.33 N ATOM 954 CA SER A 61 10.320 -0.233 7.760 1.00 0.37 C ATOM 955 C SER A 61 11.678 -0.932 7.667 1.00 0.39 C ATOM 956 O SER A 61 12.608 -0.596 8.373 1.00 0.44 O ATOM 957 CB SER A 61 9.379 -1.069 8.629 1.00 0.32 C ATOM 958 OG SER A 61 8.087 -0.476 8.627 1.00 0.36 O ATOM 0 H SER A 61 9.204 -0.886 6.060 1.00 0.33 H new ATOM 0 HA SER A 61 10.450 0.753 8.205 1.00 0.37 H new ATOM 0 HB2 SER A 61 9.324 -2.089 8.249 1.00 0.32 H new ATOM 0 HB3 SER A 61 9.763 -1.129 9.647 1.00 0.32 H new ATOM 0 HG SER A 61 7.445 -1.092 8.217 1.00 0.36 H new ATOM 964 N HIS A 62 11.801 -1.905 6.806 1.00 0.38 N ATOM 965 CA HIS A 62 13.100 -2.626 6.677 1.00 0.42 C ATOM 966 C HIS A 62 13.975 -1.940 5.624 1.00 0.45 C ATOM 967 O HIS A 62 15.179 -2.101 5.607 1.00 0.75 O ATOM 968 CB HIS A 62 12.839 -4.074 6.256 1.00 0.43 C ATOM 969 CG HIS A 62 11.938 -4.734 7.263 1.00 0.75 C ATOM 970 ND1 HIS A 62 11.371 -4.036 8.317 1.00 1.20 N ATOM 971 CD2 HIS A 62 11.497 -6.028 7.389 1.00 1.56 C ATOM 972 CE1 HIS A 62 10.627 -4.905 9.026 1.00 1.52 C ATOM 973 NE2 HIS A 62 10.669 -6.134 8.502 1.00 1.66 N ATOM 0 H HIS A 62 11.059 -2.232 6.187 1.00 0.38 H new ATOM 0 HA HIS A 62 13.615 -2.610 7.637 1.00 0.42 H new ATOM 0 HB2 HIS A 62 12.379 -4.099 5.268 1.00 0.43 H new ATOM 0 HB3 HIS A 62 13.781 -4.618 6.183 1.00 0.43 H new ATOM 0 HD2 HIS A 62 11.754 -6.840 6.725 1.00 1.56 H new ATOM 0 HE1 HIS A 62 10.065 -4.642 9.910 1.00 1.52 H new ATOM 0 HE2 HIS A 62 10.196 -6.970 8.845 1.00 1.66 H new ATOM 981 N HIS A 63 13.383 -1.180 4.744 1.00 0.26 N ATOM 982 CA HIS A 63 14.189 -0.494 3.692 1.00 0.26 C ATOM 983 C HIS A 63 14.585 0.904 4.174 1.00 0.26 C ATOM 984 O HIS A 63 15.742 1.272 4.155 1.00 0.19 O ATOM 985 CB HIS A 63 13.362 -0.376 2.411 1.00 0.32 C ATOM 986 CG HIS A 63 12.900 -1.742 1.985 1.00 0.07 C ATOM 987 ND1 HIS A 63 13.708 -2.862 2.089 1.00 0.40 N ATOM 988 CD2 HIS A 63 11.714 -2.184 1.453 1.00 0.29 C ATOM 989 CE1 HIS A 63 13.006 -3.914 1.629 1.00 0.50 C ATOM 990 NE2 HIS A 63 11.784 -3.556 1.229 1.00 0.26 N ATOM 0 H HIS A 63 12.379 -1.004 4.707 1.00 0.26 H new ATOM 0 HA HIS A 63 15.089 -1.075 3.493 1.00 0.26 H new ATOM 0 HB2 HIS A 63 12.503 0.274 2.578 1.00 0.32 H new ATOM 0 HB3 HIS A 63 13.958 0.081 1.621 1.00 0.32 H new ATOM 0 HD2 HIS A 63 10.857 -1.562 1.241 1.00 0.29 H new ATOM 0 HE1 HIS A 63 13.385 -4.924 1.588 1.00 0.50 H new ATOM 0 HE2 HIS A 63 11.057 -4.158 0.842 1.00 0.26 H new ATOM 998 N GLU A 64 13.634 1.688 4.602 1.00 0.38 N ATOM 999 CA GLU A 64 13.962 3.062 5.079 1.00 0.41 C ATOM 1000 C GLU A 64 15.150 2.998 6.040 1.00 0.31 C ATOM 1001 O GLU A 64 15.810 3.986 6.293 1.00 0.29 O ATOM 1002 CB GLU A 64 12.751 3.653 5.805 1.00 0.56 C ATOM 1003 CG GLU A 64 13.036 5.112 6.168 1.00 0.89 C ATOM 1004 CD GLU A 64 11.783 5.739 6.783 1.00 1.56 C ATOM 1005 OE1 GLU A 64 10.978 4.999 7.323 1.00 1.93 O ATOM 1006 OE2 GLU A 64 11.651 6.949 6.704 1.00 2.13 O ATOM 0 H GLU A 64 12.646 1.438 4.642 1.00 0.38 H new ATOM 0 HA GLU A 64 14.217 3.691 4.226 1.00 0.41 H new ATOM 0 HB2 GLU A 64 11.867 3.591 5.170 1.00 0.56 H new ATOM 0 HB3 GLU A 64 12.537 3.078 6.706 1.00 0.56 H new ATOM 0 HG2 GLU A 64 13.866 5.167 6.872 1.00 0.89 H new ATOM 0 HG3 GLU A 64 13.335 5.667 5.279 1.00 0.89 H new ATOM 1013 N LYS A 65 15.428 1.842 6.580 1.00 0.33 N ATOM 1014 CA LYS A 65 16.573 1.715 7.526 1.00 0.26 C ATOM 1015 C LYS A 65 17.824 1.272 6.763 1.00 0.19 C ATOM 1016 O LYS A 65 18.936 1.554 7.163 1.00 0.19 O ATOM 1017 CB LYS A 65 16.233 0.675 8.597 1.00 0.32 C ATOM 1018 CG LYS A 65 15.941 1.382 9.921 1.00 0.52 C ATOM 1019 CD LYS A 65 15.298 0.395 10.898 1.00 0.55 C ATOM 1020 CE LYS A 65 13.812 0.724 11.053 1.00 0.79 C ATOM 1021 NZ LYS A 65 13.131 -0.387 11.774 1.00 1.70 N ATOM 0 H LYS A 65 14.911 0.980 6.407 1.00 0.33 H new ATOM 0 HA LYS A 65 16.762 2.679 7.999 1.00 0.26 H new ATOM 0 HB2 LYS A 65 15.368 0.088 8.288 1.00 0.32 H new ATOM 0 HB3 LYS A 65 17.063 -0.021 8.720 1.00 0.32 H new ATOM 0 HG2 LYS A 65 16.864 1.779 10.344 1.00 0.52 H new ATOM 0 HG3 LYS A 65 15.276 2.229 9.754 1.00 0.52 H new ATOM 0 HD2 LYS A 65 15.419 -0.625 10.533 1.00 0.55 H new ATOM 0 HD3 LYS A 65 15.796 0.449 11.866 1.00 0.55 H new ATOM 0 HE2 LYS A 65 13.690 1.657 11.603 1.00 0.79 H new ATOM 0 HE3 LYS A 65 13.357 0.870 10.073 1.00 0.79 H new ATOM 0 HZ1 LYS A 65 12.121 -0.164 11.880 1.00 1.70 H new ATOM 0 HZ2 LYS A 65 13.236 -1.268 11.232 1.00 1.70 H new ATOM 0 HZ3 LYS A 65 13.560 -0.505 12.714 1.00 1.70 H new ATOM 1035 N ASP A 66 17.653 0.579 5.670 1.00 0.27 N ATOM 1036 CA ASP A 66 18.837 0.121 4.889 1.00 0.32 C ATOM 1037 C ASP A 66 19.346 1.268 4.014 1.00 0.36 C ATOM 1038 O ASP A 66 18.653 2.238 3.781 1.00 0.52 O ATOM 1039 CB ASP A 66 18.438 -1.059 4.000 1.00 0.41 C ATOM 1040 CG ASP A 66 19.671 -1.914 3.706 1.00 0.80 C ATOM 1041 OD1 ASP A 66 20.593 -1.398 3.097 1.00 2.06 O ATOM 1042 OD2 ASP A 66 19.673 -3.069 4.099 1.00 0.40 O ATOM 0 H ASP A 66 16.747 0.311 5.285 1.00 0.27 H new ATOM 0 HA ASP A 66 19.625 -0.191 5.575 1.00 0.32 H new ATOM 0 HB2 ASP A 66 17.675 -1.660 4.495 1.00 0.41 H new ATOM 0 HB3 ASP A 66 18.003 -0.696 3.069 1.00 0.41 H new ATOM 1047 N THR A 67 20.555 1.165 3.529 1.00 0.29 N ATOM 1048 CA THR A 67 21.113 2.249 2.671 1.00 0.30 C ATOM 1049 C THR A 67 20.905 1.898 1.197 1.00 0.30 C ATOM 1050 O THR A 67 21.749 2.159 0.362 1.00 0.36 O ATOM 1051 CB THR A 67 22.611 2.399 2.952 1.00 0.32 C ATOM 1052 OG1 THR A 67 23.231 1.122 2.891 1.00 0.47 O ATOM 1053 CG2 THR A 67 22.814 3.003 4.342 1.00 0.63 C ATOM 0 H THR A 67 21.180 0.376 3.691 1.00 0.29 H new ATOM 0 HA THR A 67 20.603 3.186 2.894 1.00 0.30 H new ATOM 0 HB THR A 67 23.058 3.056 2.206 1.00 0.32 H new ATOM 0 HG1 THR A 67 24.190 1.215 3.069 1.00 0.47 H new ATOM 0 HG21 THR A 67 23.881 3.109 4.540 1.00 0.63 H new ATOM 0 HG22 THR A 67 22.338 3.982 4.386 1.00 0.63 H new ATOM 0 HG23 THR A 67 22.369 2.349 5.092 1.00 0.63 H new ATOM 1061 N ARG A 68 19.787 1.309 0.867 1.00 0.28 N ATOM 1062 CA ARG A 68 19.527 0.943 -0.555 1.00 0.32 C ATOM 1063 C ARG A 68 18.741 2.067 -1.236 1.00 0.32 C ATOM 1064 O ARG A 68 19.255 2.773 -2.079 1.00 0.54 O ATOM 1065 CB ARG A 68 18.711 -0.351 -0.611 1.00 0.32 C ATOM 1066 CG ARG A 68 19.576 -1.532 -0.160 1.00 0.34 C ATOM 1067 CD ARG A 68 18.863 -2.843 -0.507 1.00 0.85 C ATOM 1068 NE ARG A 68 18.873 -3.774 0.669 1.00 2.16 N ATOM 1069 CZ ARG A 68 19.968 -3.995 1.353 1.00 2.91 C ATOM 1070 NH1 ARG A 68 21.098 -3.460 0.982 1.00 3.15 N ATOM 1071 NH2 ARG A 68 19.930 -4.773 2.399 1.00 4.19 N ATOM 0 H ARG A 68 19.043 1.066 1.521 1.00 0.28 H new ATOM 0 HA ARG A 68 20.477 0.797 -1.069 1.00 0.32 H new ATOM 0 HB2 ARG A 68 17.833 -0.266 0.030 1.00 0.32 H new ATOM 0 HB3 ARG A 68 18.350 -0.520 -1.625 1.00 0.32 H new ATOM 0 HG2 ARG A 68 20.549 -1.493 -0.650 1.00 0.34 H new ATOM 0 HG3 ARG A 68 19.757 -1.476 0.913 1.00 0.34 H new ATOM 0 HD2 ARG A 68 17.835 -2.637 -0.806 1.00 0.85 H new ATOM 0 HD3 ARG A 68 19.354 -3.317 -1.357 1.00 0.85 H new ATOM 0 HE ARG A 68 18.010 -4.244 0.941 1.00 2.16 H new ATOM 0 HH11 ARG A 68 21.133 -2.865 0.154 1.00 3.15 H new ATOM 0 HH12 ARG A 68 21.947 -3.637 1.520 1.00 3.15 H new ATOM 0 HH21 ARG A 68 19.051 -5.206 2.681 1.00 4.19 H new ATOM 0 HH22 ARG A 68 20.780 -4.948 2.935 1.00 4.19 H new ATOM 1085 N CYS A 69 17.498 2.233 -0.878 1.00 0.18 N ATOM 1086 CA CYS A 69 16.677 3.307 -1.505 1.00 0.18 C ATOM 1087 C CYS A 69 17.141 4.673 -0.998 1.00 0.15 C ATOM 1088 O CYS A 69 16.603 5.698 -1.368 1.00 0.16 O ATOM 1089 CB CYS A 69 15.206 3.095 -1.142 1.00 0.16 C ATOM 1090 SG CYS A 69 14.821 1.328 -1.207 1.00 0.21 S ATOM 0 H CYS A 69 17.015 1.671 -0.178 1.00 0.18 H new ATOM 0 HA CYS A 69 16.794 3.270 -2.588 1.00 0.18 H new ATOM 0 HB2 CYS A 69 15.006 3.486 -0.144 1.00 0.16 H new ATOM 0 HB3 CYS A 69 14.566 3.644 -1.833 1.00 0.16 H new ATOM 1095 N LEU A 70 18.140 4.698 -0.157 1.00 0.18 N ATOM 1096 CA LEU A 70 18.640 5.999 0.371 1.00 0.17 C ATOM 1097 C LEU A 70 19.812 6.479 -0.487 1.00 0.27 C ATOM 1098 O LEU A 70 19.727 7.483 -1.167 1.00 0.21 O ATOM 1099 CB LEU A 70 19.108 5.820 1.817 1.00 0.44 C ATOM 1100 CG LEU A 70 18.056 5.037 2.604 1.00 0.68 C ATOM 1101 CD1 LEU A 70 18.432 5.023 4.087 1.00 0.80 C ATOM 1102 CD2 LEU A 70 16.690 5.703 2.433 1.00 1.54 C ATOM 0 H LEU A 70 18.631 3.873 0.187 1.00 0.18 H new ATOM 0 HA LEU A 70 17.837 6.736 0.339 1.00 0.17 H new ATOM 0 HB2 LEU A 70 20.061 5.291 1.839 1.00 0.44 H new ATOM 0 HB3 LEU A 70 19.273 6.793 2.280 1.00 0.44 H new ATOM 0 HG LEU A 70 18.012 4.014 2.230 1.00 0.68 H new ATOM 0 HD11 LEU A 70 17.682 4.465 4.647 1.00 0.80 H new ATOM 0 HD12 LEU A 70 19.405 4.548 4.211 1.00 0.80 H new ATOM 0 HD13 LEU A 70 18.477 6.046 4.461 1.00 0.80 H new ATOM 0 HD21 LEU A 70 15.940 5.145 2.994 1.00 1.54 H new ATOM 0 HD22 LEU A 70 16.735 6.726 2.806 1.00 1.54 H new ATOM 0 HD23 LEU A 70 16.420 5.713 1.377 1.00 1.54 H new ATOM 1114 N GLY A 71 20.907 5.769 -0.463 1.00 0.72 N ATOM 1115 CA GLY A 71 22.082 6.184 -1.279 1.00 0.97 C ATOM 1116 C GLY A 71 22.767 7.382 -0.619 1.00 0.84 C ATOM 1117 O GLY A 71 22.343 7.857 0.417 1.00 1.24 O ATOM 0 H GLY A 71 21.038 4.920 0.086 1.00 0.72 H new ATOM 0 HA2 GLY A 71 22.785 5.356 -1.371 1.00 0.97 H new ATOM 0 HA3 GLY A 71 21.763 6.445 -2.288 1.00 0.97 H new ATOM 1121 N ALA A 72 23.821 7.875 -1.210 1.00 1.13 N ATOM 1122 CA ALA A 72 24.533 9.043 -0.617 1.00 0.93 C ATOM 1123 C ALA A 72 24.020 10.334 -1.259 1.00 0.72 C ATOM 1124 O ALA A 72 24.063 11.392 -0.666 1.00 0.66 O ATOM 1125 CB ALA A 72 26.035 8.908 -0.878 1.00 1.14 C ATOM 0 H ALA A 72 24.220 7.519 -2.079 1.00 1.13 H new ATOM 0 HA ALA A 72 24.350 9.073 0.457 1.00 0.93 H new ATOM 0 HB1 ALA A 72 26.558 9.761 -0.445 1.00 1.14 H new ATOM 0 HB2 ALA A 72 26.402 7.988 -0.423 1.00 1.14 H new ATOM 0 HB3 ALA A 72 26.216 8.878 -1.952 1.00 1.14 H new ATOM 1131 N THR A 73 23.533 10.254 -2.467 1.00 0.77 N ATOM 1132 CA THR A 73 23.016 11.476 -3.144 1.00 0.75 C ATOM 1133 C THR A 73 22.099 12.240 -2.188 1.00 0.72 C ATOM 1134 O THR A 73 21.390 11.655 -1.394 1.00 0.70 O ATOM 1135 CB THR A 73 22.229 11.074 -4.394 1.00 1.09 C ATOM 1136 OG1 THR A 73 22.125 9.658 -4.451 1.00 1.56 O ATOM 1137 CG2 THR A 73 22.952 11.584 -5.641 1.00 0.64 C ATOM 0 H THR A 73 23.471 9.395 -3.014 1.00 0.77 H new ATOM 0 HA THR A 73 23.853 12.113 -3.431 1.00 0.75 H new ATOM 0 HB THR A 73 21.231 11.511 -4.351 1.00 1.09 H new ATOM 0 HG1 THR A 73 21.620 9.399 -5.250 1.00 1.56 H new ATOM 0 HG21 THR A 73 22.390 11.297 -6.530 1.00 0.64 H new ATOM 0 HG22 THR A 73 23.031 12.670 -5.597 1.00 0.64 H new ATOM 0 HG23 THR A 73 23.950 11.149 -5.686 1.00 0.64 H new ATOM 1145 N ALA A 74 22.107 13.542 -2.257 1.00 0.75 N ATOM 1146 CA ALA A 74 21.234 14.342 -1.352 1.00 0.73 C ATOM 1147 C ALA A 74 19.847 14.489 -1.978 1.00 0.62 C ATOM 1148 O ALA A 74 18.838 14.338 -1.319 1.00 0.80 O ATOM 1149 CB ALA A 74 21.849 15.727 -1.144 1.00 0.81 C ATOM 0 H ALA A 74 22.680 14.087 -2.901 1.00 0.75 H new ATOM 0 HA ALA A 74 21.146 13.835 -0.391 1.00 0.73 H new ATOM 0 HB1 ALA A 74 21.211 16.313 -0.482 1.00 0.81 H new ATOM 0 HB2 ALA A 74 22.837 15.623 -0.697 1.00 0.81 H new ATOM 0 HB3 ALA A 74 21.937 16.234 -2.105 1.00 0.81 H new ATOM 1155 N GLN A 75 19.787 14.781 -3.249 1.00 0.47 N ATOM 1156 CA GLN A 75 18.463 14.938 -3.916 1.00 0.43 C ATOM 1157 C GLN A 75 17.655 13.649 -3.750 1.00 0.32 C ATOM 1158 O GLN A 75 16.445 13.672 -3.649 1.00 0.25 O ATOM 1159 CB GLN A 75 18.671 15.222 -5.405 1.00 0.48 C ATOM 1160 CG GLN A 75 19.501 14.098 -6.029 1.00 0.49 C ATOM 1161 CD GLN A 75 19.779 14.423 -7.498 1.00 0.09 C ATOM 1162 OE1 GLN A 75 18.925 14.244 -8.344 1.00 1.43 O ATOM 1163 NE2 GLN A 75 20.945 14.898 -7.838 1.00 1.06 N ATOM 0 H GLN A 75 20.597 14.918 -3.854 1.00 0.47 H new ATOM 0 HA GLN A 75 17.923 15.768 -3.461 1.00 0.43 H new ATOM 0 HB2 GLN A 75 17.708 15.300 -5.909 1.00 0.48 H new ATOM 0 HB3 GLN A 75 19.178 16.178 -5.536 1.00 0.48 H new ATOM 0 HG2 GLN A 75 20.440 13.981 -5.488 1.00 0.49 H new ATOM 0 HG3 GLN A 75 18.968 13.151 -5.950 1.00 0.49 H new ATOM 0 HE21 GLN A 75 21.661 15.048 -7.128 1.00 1.06 H new ATOM 0 HE22 GLN A 75 21.141 15.119 -8.814 1.00 1.06 H new ATOM 1172 N GLN A 76 18.316 12.524 -3.722 1.00 0.34 N ATOM 1173 CA GLN A 76 17.585 11.235 -3.563 1.00 0.27 C ATOM 1174 C GLN A 76 17.182 11.056 -2.098 1.00 0.29 C ATOM 1175 O GLN A 76 16.173 10.453 -1.791 1.00 0.32 O ATOM 1176 CB GLN A 76 18.491 10.078 -3.990 1.00 0.29 C ATOM 1177 CG GLN A 76 17.690 8.775 -3.990 1.00 0.64 C ATOM 1178 CD GLN A 76 17.552 8.259 -5.424 1.00 0.48 C ATOM 1179 OE1 GLN A 76 18.535 7.961 -6.072 1.00 0.74 O ATOM 1180 NE2 GLN A 76 16.364 8.143 -5.951 1.00 1.55 N ATOM 0 H GLN A 76 19.330 12.442 -3.802 1.00 0.34 H new ATOM 0 HA GLN A 76 16.691 11.244 -4.187 1.00 0.27 H new ATOM 0 HB2 GLN A 76 18.897 10.268 -4.984 1.00 0.29 H new ATOM 0 HB3 GLN A 76 19.339 9.996 -3.310 1.00 0.29 H new ATOM 0 HG2 GLN A 76 18.189 8.029 -3.371 1.00 0.64 H new ATOM 0 HG3 GLN A 76 16.704 8.942 -3.556 1.00 0.64 H new ATOM 0 HE21 GLN A 76 15.538 8.393 -5.407 1.00 1.55 H new ATOM 0 HE22 GLN A 76 16.261 7.802 -6.907 1.00 1.55 H new ATOM 1189 N PHE A 77 17.963 11.575 -1.192 1.00 0.35 N ATOM 1190 CA PHE A 77 17.626 11.434 0.252 1.00 0.40 C ATOM 1191 C PHE A 77 16.300 12.145 0.536 1.00 0.32 C ATOM 1192 O PHE A 77 15.425 11.608 1.186 1.00 0.38 O ATOM 1193 CB PHE A 77 18.734 12.062 1.099 1.00 0.52 C ATOM 1194 CG PHE A 77 18.216 12.333 2.491 1.00 0.61 C ATOM 1195 CD1 PHE A 77 17.514 13.513 2.760 1.00 0.68 C ATOM 1196 CD2 PHE A 77 18.438 11.402 3.512 1.00 1.01 C ATOM 1197 CE1 PHE A 77 17.033 13.764 4.051 1.00 1.11 C ATOM 1198 CE2 PHE A 77 17.957 11.651 4.804 1.00 1.32 C ATOM 1199 CZ PHE A 77 17.255 12.833 5.073 1.00 1.36 C ATOM 0 H PHE A 77 18.820 12.091 -1.389 1.00 0.35 H new ATOM 0 HA PHE A 77 17.534 10.377 0.503 1.00 0.40 H new ATOM 0 HB2 PHE A 77 19.594 11.394 1.144 1.00 0.52 H new ATOM 0 HB3 PHE A 77 19.075 12.990 0.640 1.00 0.52 H new ATOM 0 HD1 PHE A 77 17.343 14.231 1.971 1.00 0.68 H new ATOM 0 HD2 PHE A 77 18.980 10.491 3.304 1.00 1.01 H new ATOM 0 HE1 PHE A 77 16.491 14.675 4.258 1.00 1.11 H new ATOM 0 HE2 PHE A 77 18.127 10.932 5.592 1.00 1.32 H new ATOM 0 HZ PHE A 77 16.885 13.026 6.069 1.00 1.36 H new ATOM 1209 N HIS A 78 16.145 13.347 0.053 1.00 0.25 N ATOM 1210 CA HIS A 78 14.876 14.089 0.295 1.00 0.28 C ATOM 1211 C HIS A 78 13.749 13.445 -0.514 1.00 0.35 C ATOM 1212 O HIS A 78 12.722 13.073 0.019 1.00 0.39 O ATOM 1213 CB HIS A 78 15.047 15.546 -0.138 1.00 0.30 C ATOM 1214 CG HIS A 78 13.719 16.250 -0.065 1.00 0.41 C ATOM 1215 ND1 HIS A 78 13.322 17.179 -1.014 1.00 1.29 N ATOM 1216 CD2 HIS A 78 12.687 16.170 0.836 1.00 0.48 C ATOM 1217 CE1 HIS A 78 12.099 17.617 -0.665 1.00 1.59 C ATOM 1218 NE2 HIS A 78 11.664 17.035 0.456 1.00 0.96 N ATOM 0 H HIS A 78 16.842 13.847 -0.499 1.00 0.25 H new ATOM 0 HA HIS A 78 14.629 14.053 1.356 1.00 0.28 H new ATOM 0 HB2 HIS A 78 15.771 16.045 0.506 1.00 0.30 H new ATOM 0 HB3 HIS A 78 15.439 15.591 -1.154 1.00 0.30 H new ATOM 0 HD2 HIS A 78 12.671 15.533 1.708 1.00 0.48 H new ATOM 0 HE1 HIS A 78 11.537 18.351 -1.224 1.00 1.59 H new ATOM 0 HE2 HIS A 78 10.775 17.191 0.931 1.00 0.96 H new ATOM 1226 N ARG A 79 13.932 13.310 -1.799 1.00 0.37 N ATOM 1227 CA ARG A 79 12.871 12.690 -2.642 1.00 0.46 C ATOM 1228 C ARG A 79 12.497 11.324 -2.064 1.00 0.43 C ATOM 1229 O ARG A 79 11.443 10.788 -2.344 1.00 0.44 O ATOM 1230 CB ARG A 79 13.393 12.513 -4.069 1.00 0.53 C ATOM 1231 CG ARG A 79 12.228 12.601 -5.055 1.00 0.52 C ATOM 1232 CD ARG A 79 12.698 12.137 -6.438 1.00 0.47 C ATOM 1233 NE ARG A 79 12.276 13.117 -7.491 1.00 0.84 N ATOM 1234 CZ ARG A 79 11.053 13.580 -7.539 1.00 2.44 C ATOM 1235 NH1 ARG A 79 10.148 13.139 -6.709 1.00 4.02 N ATOM 1236 NH2 ARG A 79 10.732 14.472 -8.436 1.00 2.70 N ATOM 0 H ARG A 79 14.770 13.602 -2.301 1.00 0.37 H new ATOM 0 HA ARG A 79 11.992 13.334 -2.654 1.00 0.46 H new ATOM 0 HB2 ARG A 79 14.133 13.281 -4.295 1.00 0.53 H new ATOM 0 HB3 ARG A 79 13.894 11.550 -4.167 1.00 0.53 H new ATOM 0 HG2 ARG A 79 11.400 11.981 -4.713 1.00 0.52 H new ATOM 0 HG3 ARG A 79 11.859 13.625 -5.109 1.00 0.52 H new ATOM 0 HD2 ARG A 79 13.783 12.032 -6.444 1.00 0.47 H new ATOM 0 HD3 ARG A 79 12.282 11.154 -6.659 1.00 0.47 H new ATOM 0 HE ARG A 79 12.956 13.429 -8.184 1.00 0.84 H new ATOM 0 HH11 ARG A 79 10.392 12.430 -6.018 1.00 4.02 H new ATOM 0 HH12 ARG A 79 9.196 13.504 -6.751 1.00 4.02 H new ATOM 0 HH21 ARG A 79 11.433 14.806 -9.097 1.00 2.70 H new ATOM 0 HH22 ARG A 79 9.780 14.835 -8.476 1.00 2.70 H new ATOM 1250 N HIS A 80 13.351 10.756 -1.258 1.00 0.44 N ATOM 1251 CA HIS A 80 13.044 9.425 -0.664 1.00 0.43 C ATOM 1252 C HIS A 80 12.168 9.610 0.577 1.00 0.41 C ATOM 1253 O HIS A 80 11.154 8.959 0.734 1.00 0.40 O ATOM 1254 CB HIS A 80 14.350 8.732 -0.268 1.00 0.40 C ATOM 1255 CG HIS A 80 14.039 7.424 0.407 1.00 0.44 C ATOM 1256 ND1 HIS A 80 13.485 6.354 -0.276 1.00 0.81 N ATOM 1257 CD2 HIS A 80 14.201 7.000 1.702 1.00 0.40 C ATOM 1258 CE1 HIS A 80 13.334 5.346 0.603 1.00 0.88 C ATOM 1259 NE2 HIS A 80 13.755 5.688 1.824 1.00 0.69 N ATOM 0 H HIS A 80 14.249 11.156 -0.985 1.00 0.44 H new ATOM 0 HA HIS A 80 12.514 8.814 -1.394 1.00 0.43 H new ATOM 0 HB2 HIS A 80 14.965 8.560 -1.151 1.00 0.40 H new ATOM 0 HB3 HIS A 80 14.925 9.371 0.402 1.00 0.40 H new ATOM 0 HD2 HIS A 80 14.612 7.594 2.504 1.00 0.40 H new ATOM 0 HE1 HIS A 80 12.923 4.379 0.352 1.00 0.88 H new ATOM 0 HE2 HIS A 80 13.750 5.111 2.665 1.00 0.69 H new ATOM 1267 N LYS A 81 12.549 10.493 1.459 1.00 0.41 N ATOM 1268 CA LYS A 81 11.734 10.717 2.686 1.00 0.40 C ATOM 1269 C LYS A 81 10.268 10.914 2.296 1.00 0.38 C ATOM 1270 O LYS A 81 9.375 10.349 2.895 1.00 0.35 O ATOM 1271 CB LYS A 81 12.240 11.965 3.414 1.00 0.46 C ATOM 1272 CG LYS A 81 13.596 11.669 4.056 1.00 0.47 C ATOM 1273 CD LYS A 81 13.386 11.160 5.483 1.00 0.92 C ATOM 1274 CE LYS A 81 14.718 10.671 6.053 1.00 0.71 C ATOM 1275 NZ LYS A 81 14.659 9.197 6.261 1.00 2.27 N ATOM 0 H LYS A 81 13.388 11.068 1.383 1.00 0.41 H new ATOM 0 HA LYS A 81 11.822 9.852 3.343 1.00 0.40 H new ATOM 0 HB2 LYS A 81 12.331 12.795 2.714 1.00 0.46 H new ATOM 0 HB3 LYS A 81 11.523 12.269 4.177 1.00 0.46 H new ATOM 0 HG2 LYS A 81 14.133 10.924 3.469 1.00 0.47 H new ATOM 0 HG3 LYS A 81 14.209 12.570 4.067 1.00 0.47 H new ATOM 0 HD2 LYS A 81 12.981 11.956 6.108 1.00 0.92 H new ATOM 0 HD3 LYS A 81 12.657 10.349 5.487 1.00 0.92 H new ATOM 0 HE2 LYS A 81 15.531 10.920 5.371 1.00 0.71 H new ATOM 0 HE3 LYS A 81 14.928 11.174 6.997 1.00 0.71 H new ATOM 0 HZ1 LYS A 81 15.565 8.865 6.649 1.00 2.27 H new ATOM 0 HZ2 LYS A 81 13.893 8.971 6.928 1.00 2.27 H new ATOM 0 HZ3 LYS A 81 14.477 8.725 5.352 1.00 2.27 H new ATOM 1289 N GLN A 82 10.014 11.707 1.291 1.00 0.39 N ATOM 1290 CA GLN A 82 8.606 11.936 0.862 1.00 0.38 C ATOM 1291 C GLN A 82 7.935 10.590 0.586 1.00 0.31 C ATOM 1292 O GLN A 82 6.799 10.364 0.954 1.00 0.31 O ATOM 1293 CB GLN A 82 8.592 12.785 -0.410 1.00 0.40 C ATOM 1294 CG GLN A 82 7.948 14.142 -0.113 1.00 0.75 C ATOM 1295 CD GLN A 82 8.111 15.061 -1.325 1.00 0.62 C ATOM 1296 OE1 GLN A 82 7.693 14.728 -2.416 1.00 0.62 O ATOM 1297 NE2 GLN A 82 8.706 16.213 -1.179 1.00 1.62 N ATOM 0 H GLN A 82 10.720 12.205 0.749 1.00 0.39 H new ATOM 0 HA GLN A 82 8.064 12.458 1.651 1.00 0.38 H new ATOM 0 HB2 GLN A 82 9.609 12.926 -0.777 1.00 0.40 H new ATOM 0 HB3 GLN A 82 8.038 12.272 -1.196 1.00 0.40 H new ATOM 0 HG2 GLN A 82 6.891 14.012 0.118 1.00 0.75 H new ATOM 0 HG3 GLN A 82 8.413 14.593 0.764 1.00 0.75 H new ATOM 0 HE21 GLN A 82 9.057 16.493 -0.263 1.00 1.62 H new ATOM 0 HE22 GLN A 82 8.820 16.833 -1.981 1.00 1.62 H new ATOM 1306 N LEU A 83 8.629 9.692 -0.059 1.00 0.26 N ATOM 1307 CA LEU A 83 8.031 8.361 -0.356 1.00 0.20 C ATOM 1308 C LEU A 83 7.598 7.697 0.953 1.00 0.20 C ATOM 1309 O LEU A 83 6.445 7.364 1.141 1.00 0.19 O ATOM 1310 CB LEU A 83 9.071 7.482 -1.057 1.00 0.17 C ATOM 1311 CG LEU A 83 8.364 6.420 -1.904 1.00 0.11 C ATOM 1312 CD1 LEU A 83 9.408 5.567 -2.627 1.00 0.12 C ATOM 1313 CD2 LEU A 83 7.516 5.524 -0.998 1.00 0.08 C ATOM 0 H LEU A 83 9.584 9.823 -0.393 1.00 0.26 H new ATOM 0 HA LEU A 83 7.164 8.485 -1.005 1.00 0.20 H new ATOM 0 HB2 LEU A 83 9.714 8.096 -1.688 1.00 0.17 H new ATOM 0 HB3 LEU A 83 9.714 7.003 -0.318 1.00 0.17 H new ATOM 0 HG LEU A 83 7.722 6.909 -2.636 1.00 0.11 H new ATOM 0 HD11 LEU A 83 8.906 4.811 -3.230 1.00 0.12 H new ATOM 0 HD12 LEU A 83 10.013 6.203 -3.273 1.00 0.12 H new ATOM 0 HD13 LEU A 83 10.050 5.079 -1.894 1.00 0.12 H new ATOM 0 HD21 LEU A 83 7.013 4.768 -1.601 1.00 0.08 H new ATOM 0 HD22 LEU A 83 8.158 5.035 -0.266 1.00 0.08 H new ATOM 0 HD23 LEU A 83 6.772 6.130 -0.481 1.00 0.08 H new ATOM 1325 N ILE A 84 8.515 7.505 1.862 1.00 0.24 N ATOM 1326 CA ILE A 84 8.156 6.864 3.159 1.00 0.24 C ATOM 1327 C ILE A 84 6.894 7.523 3.722 1.00 0.27 C ATOM 1328 O ILE A 84 6.017 6.862 4.241 1.00 0.26 O ATOM 1329 CB ILE A 84 9.307 7.038 4.152 1.00 0.32 C ATOM 1330 CG1 ILE A 84 10.638 6.738 3.454 1.00 0.36 C ATOM 1331 CG2 ILE A 84 9.121 6.075 5.325 1.00 0.29 C ATOM 1332 CD1 ILE A 84 10.528 5.419 2.687 1.00 0.31 C ATOM 0 H ILE A 84 9.497 7.764 1.763 1.00 0.24 H new ATOM 0 HA ILE A 84 7.972 5.802 2.999 1.00 0.24 H new ATOM 0 HB ILE A 84 9.313 8.064 4.520 1.00 0.32 H new ATOM 0 HG12 ILE A 84 10.893 7.548 2.770 1.00 0.36 H new ATOM 0 HG13 ILE A 84 11.440 6.677 4.189 1.00 0.36 H new ATOM 0 HG21 ILE A 84 9.941 6.200 6.032 1.00 0.29 H new ATOM 0 HG22 ILE A 84 8.176 6.288 5.825 1.00 0.29 H new ATOM 0 HG23 ILE A 84 9.113 5.049 4.956 1.00 0.29 H new ATOM 0 HD11 ILE A 84 11.475 5.207 2.191 1.00 0.31 H new ATOM 0 HD12 ILE A 84 10.293 4.613 3.382 1.00 0.31 H new ATOM 0 HD13 ILE A 84 9.737 5.497 1.941 1.00 0.31 H new ATOM 1344 N ARG A 85 6.797 8.820 3.623 1.00 0.33 N ATOM 1345 CA ARG A 85 5.591 9.518 4.152 1.00 0.39 C ATOM 1346 C ARG A 85 4.357 9.072 3.366 1.00 0.38 C ATOM 1347 O ARG A 85 3.291 8.887 3.918 1.00 0.52 O ATOM 1348 CB ARG A 85 5.773 11.030 4.005 1.00 0.40 C ATOM 1349 CG ARG A 85 6.070 11.646 5.374 1.00 0.30 C ATOM 1350 CD ARG A 85 6.283 13.153 5.220 1.00 0.67 C ATOM 1351 NE ARG A 85 6.377 13.781 6.568 1.00 0.77 N ATOM 1352 CZ ARG A 85 6.849 14.991 6.692 1.00 1.15 C ATOM 1353 NH1 ARG A 85 7.242 15.650 5.637 1.00 1.83 N ATOM 1354 NH2 ARG A 85 6.929 15.543 7.872 1.00 1.38 N ATOM 0 H ARG A 85 7.499 9.426 3.199 1.00 0.33 H new ATOM 0 HA ARG A 85 5.459 9.269 5.205 1.00 0.39 H new ATOM 0 HB2 ARG A 85 6.589 11.243 3.314 1.00 0.40 H new ATOM 0 HB3 ARG A 85 4.873 11.476 3.582 1.00 0.40 H new ATOM 0 HG2 ARG A 85 5.244 11.453 6.058 1.00 0.30 H new ATOM 0 HG3 ARG A 85 6.958 11.185 5.807 1.00 0.30 H new ATOM 0 HD2 ARG A 85 7.193 13.346 4.653 1.00 0.67 H new ATOM 0 HD3 ARG A 85 5.458 13.592 4.659 1.00 0.67 H new ATOM 0 HE ARG A 85 6.072 13.265 7.394 1.00 0.77 H new ATOM 0 HH11 ARG A 85 7.180 15.219 4.714 1.00 1.83 H new ATOM 0 HH12 ARG A 85 7.611 16.596 5.735 1.00 1.83 H new ATOM 0 HH21 ARG A 85 6.622 15.028 8.698 1.00 1.38 H new ATOM 0 HH22 ARG A 85 7.298 16.489 7.969 1.00 1.38 H new ATOM 1368 N PHE A 86 4.492 8.899 2.079 1.00 0.26 N ATOM 1369 CA PHE A 86 3.326 8.466 1.260 1.00 0.33 C ATOM 1370 C PHE A 86 2.876 7.073 1.706 1.00 0.40 C ATOM 1371 O PHE A 86 1.712 6.839 1.967 1.00 0.51 O ATOM 1372 CB PHE A 86 3.726 8.423 -0.216 1.00 0.29 C ATOM 1373 CG PHE A 86 3.422 9.755 -0.859 1.00 0.30 C ATOM 1374 CD1 PHE A 86 2.095 10.126 -1.108 1.00 0.30 C ATOM 1375 CD2 PHE A 86 4.466 10.620 -1.206 1.00 0.33 C ATOM 1376 CE1 PHE A 86 1.812 11.361 -1.704 1.00 0.31 C ATOM 1377 CE2 PHE A 86 4.184 11.855 -1.802 1.00 0.34 C ATOM 1378 CZ PHE A 86 2.857 12.226 -2.052 1.00 0.33 C ATOM 0 H PHE A 86 5.359 9.039 1.560 1.00 0.26 H new ATOM 0 HA PHE A 86 2.507 9.173 1.395 1.00 0.33 H new ATOM 0 HB2 PHE A 86 4.788 8.196 -0.310 1.00 0.29 H new ATOM 0 HB3 PHE A 86 3.184 7.628 -0.728 1.00 0.29 H new ATOM 0 HD1 PHE A 86 1.289 9.459 -0.840 1.00 0.30 H new ATOM 0 HD2 PHE A 86 5.490 10.335 -1.014 1.00 0.33 H new ATOM 0 HE1 PHE A 86 0.788 11.646 -1.895 1.00 0.31 H new ATOM 0 HE2 PHE A 86 4.990 12.522 -2.069 1.00 0.34 H new ATOM 0 HZ PHE A 86 2.640 13.178 -2.513 1.00 0.33 H new ATOM 1388 N LEU A 87 3.789 6.143 1.797 1.00 0.33 N ATOM 1389 CA LEU A 87 3.410 4.767 2.226 1.00 0.39 C ATOM 1390 C LEU A 87 2.876 4.809 3.659 1.00 0.44 C ATOM 1391 O LEU A 87 1.813 4.298 3.951 1.00 0.51 O ATOM 1392 CB LEU A 87 4.639 3.856 2.166 1.00 0.38 C ATOM 1393 CG LEU A 87 4.665 3.117 0.825 1.00 0.92 C ATOM 1394 CD1 LEU A 87 6.083 2.618 0.547 1.00 0.67 C ATOM 1395 CD2 LEU A 87 3.708 1.922 0.877 1.00 1.39 C ATOM 0 H LEU A 87 4.779 6.277 1.593 1.00 0.33 H new ATOM 0 HA LEU A 87 2.638 4.379 1.561 1.00 0.39 H new ATOM 0 HB2 LEU A 87 5.548 4.446 2.285 1.00 0.38 H new ATOM 0 HB3 LEU A 87 4.614 3.140 2.987 1.00 0.38 H new ATOM 0 HG LEU A 87 4.354 3.797 0.032 1.00 0.92 H new ATOM 0 HD11 LEU A 87 6.103 2.092 -0.407 1.00 0.67 H new ATOM 0 HD12 LEU A 87 6.766 3.466 0.508 1.00 0.67 H new ATOM 0 HD13 LEU A 87 6.392 1.940 1.342 1.00 0.67 H new ATOM 0 HD21 LEU A 87 3.728 1.398 -0.078 1.00 1.39 H new ATOM 0 HD22 LEU A 87 4.018 1.242 1.671 1.00 1.39 H new ATOM 0 HD23 LEU A 87 2.696 2.275 1.076 1.00 1.39 H new ATOM 1407 N LYS A 88 3.605 5.415 4.557 1.00 0.42 N ATOM 1408 CA LYS A 88 3.137 5.488 5.969 1.00 0.47 C ATOM 1409 C LYS A 88 1.739 6.105 6.013 1.00 0.52 C ATOM 1410 O LYS A 88 0.989 5.903 6.948 1.00 0.64 O ATOM 1411 CB LYS A 88 4.103 6.353 6.781 1.00 0.46 C ATOM 1412 CG LYS A 88 5.172 5.463 7.420 1.00 0.54 C ATOM 1413 CD LYS A 88 6.251 6.339 8.060 1.00 0.67 C ATOM 1414 CE LYS A 88 6.661 5.741 9.408 1.00 0.42 C ATOM 1415 NZ LYS A 88 7.804 6.516 9.967 1.00 0.90 N ATOM 0 H LYS A 88 4.503 5.862 4.373 1.00 0.42 H new ATOM 0 HA LYS A 88 3.103 4.484 6.393 1.00 0.47 H new ATOM 0 HB2 LYS A 88 4.572 7.097 6.136 1.00 0.46 H new ATOM 0 HB3 LYS A 88 3.559 6.898 7.553 1.00 0.46 H new ATOM 0 HG2 LYS A 88 4.720 4.817 8.172 1.00 0.54 H new ATOM 0 HG3 LYS A 88 5.616 4.813 6.667 1.00 0.54 H new ATOM 0 HD2 LYS A 88 7.117 6.407 7.402 1.00 0.67 H new ATOM 0 HD3 LYS A 88 5.876 7.353 8.199 1.00 0.67 H new ATOM 0 HE2 LYS A 88 5.819 5.764 10.100 1.00 0.42 H new ATOM 0 HE3 LYS A 88 6.943 4.695 9.284 1.00 0.42 H new ATOM 0 HZ1 LYS A 88 8.083 6.111 10.883 1.00 0.90 H new ATOM 0 HZ2 LYS A 88 8.608 6.472 9.309 1.00 0.90 H new ATOM 0 HZ3 LYS A 88 7.519 7.507 10.100 1.00 0.90 H new ATOM 1429 N ARG A 89 1.380 6.858 5.010 1.00 0.43 N ATOM 1430 CA ARG A 89 0.030 7.488 4.996 1.00 0.47 C ATOM 1431 C ARG A 89 -1.021 6.435 4.640 1.00 0.45 C ATOM 1432 O ARG A 89 -1.817 6.033 5.466 1.00 0.43 O ATOM 1433 CB ARG A 89 0.001 8.608 3.954 1.00 0.53 C ATOM 1434 CG ARG A 89 -1.224 9.493 4.189 1.00 0.47 C ATOM 1435 CD ARG A 89 -1.203 10.666 3.208 1.00 0.87 C ATOM 1436 NE ARG A 89 -0.632 11.867 3.879 1.00 0.84 N ATOM 1437 CZ ARG A 89 -0.239 12.888 3.168 1.00 1.36 C ATOM 1438 NH1 ARG A 89 -0.345 12.857 1.868 1.00 1.79 N ATOM 1439 NH2 ARG A 89 0.261 13.940 3.756 1.00 1.83 N ATOM 0 H ARG A 89 1.964 7.064 4.199 1.00 0.43 H new ATOM 0 HA ARG A 89 -0.188 7.901 5.981 1.00 0.47 H new ATOM 0 HB2 ARG A 89 0.911 9.204 4.020 1.00 0.53 H new ATOM 0 HB3 ARG A 89 -0.031 8.184 2.950 1.00 0.53 H new ATOM 0 HG2 ARG A 89 -2.136 8.911 4.057 1.00 0.47 H new ATOM 0 HG3 ARG A 89 -1.227 9.863 5.214 1.00 0.47 H new ATOM 0 HD2 ARG A 89 -0.608 10.410 2.331 1.00 0.87 H new ATOM 0 HD3 ARG A 89 -2.213 10.878 2.857 1.00 0.87 H new ATOM 0 HE ARG A 89 -0.548 11.891 4.895 1.00 0.84 H new ATOM 0 HH11 ARG A 89 -0.735 12.035 1.408 1.00 1.79 H new ATOM 0 HH12 ARG A 89 -0.038 13.655 1.312 1.00 1.79 H new ATOM 0 HH21 ARG A 89 0.345 13.965 4.772 1.00 1.83 H new ATOM 0 HH22 ARG A 89 0.568 14.738 3.199 1.00 1.83 H new ATOM 1453 N LEU A 90 -1.031 5.983 3.416 1.00 0.46 N ATOM 1454 CA LEU A 90 -2.032 4.956 3.009 1.00 0.46 C ATOM 1455 C LEU A 90 -1.859 3.704 3.871 1.00 0.42 C ATOM 1456 O LEU A 90 -2.702 2.830 3.891 1.00 0.59 O ATOM 1457 CB LEU A 90 -1.821 4.594 1.537 1.00 0.48 C ATOM 1458 CG LEU A 90 -0.414 4.025 1.346 1.00 0.47 C ATOM 1459 CD1 LEU A 90 -0.496 2.508 1.170 1.00 0.48 C ATOM 1460 CD2 LEU A 90 0.222 4.648 0.102 1.00 0.45 C ATOM 0 H LEU A 90 -0.390 6.280 2.680 1.00 0.46 H new ATOM 0 HA LEU A 90 -3.037 5.355 3.146 1.00 0.46 H new ATOM 0 HB2 LEU A 90 -2.566 3.863 1.221 1.00 0.48 H new ATOM 0 HB3 LEU A 90 -1.955 5.477 0.912 1.00 0.48 H new ATOM 0 HG LEU A 90 0.193 4.257 2.221 1.00 0.47 H new ATOM 0 HD11 LEU A 90 0.507 2.103 1.034 1.00 0.48 H new ATOM 0 HD12 LEU A 90 -0.950 2.063 2.055 1.00 0.48 H new ATOM 0 HD13 LEU A 90 -1.103 2.276 0.295 1.00 0.48 H new ATOM 0 HD21 LEU A 90 1.225 4.243 -0.035 1.00 0.45 H new ATOM 0 HD22 LEU A 90 -0.386 4.416 -0.772 1.00 0.45 H new ATOM 0 HD23 LEU A 90 0.281 5.729 0.226 1.00 0.45 H new ATOM 1472 N ASP A 91 -0.769 3.608 4.584 1.00 0.25 N ATOM 1473 CA ASP A 91 -0.545 2.412 5.444 1.00 0.19 C ATOM 1474 C ASP A 91 -1.578 2.391 6.571 1.00 0.27 C ATOM 1475 O ASP A 91 -2.131 1.361 6.902 1.00 0.31 O ATOM 1476 CB ASP A 91 0.863 2.471 6.043 1.00 0.13 C ATOM 1477 CG ASP A 91 1.020 1.364 7.086 1.00 0.12 C ATOM 1478 OD1 ASP A 91 1.123 0.214 6.690 1.00 1.19 O ATOM 1479 OD2 ASP A 91 1.035 1.684 8.263 1.00 0.94 O ATOM 0 H ASP A 91 -0.025 4.306 4.608 1.00 0.25 H new ATOM 0 HA ASP A 91 -0.647 1.509 4.842 1.00 0.19 H new ATOM 0 HB2 ASP A 91 1.609 2.354 5.257 1.00 0.13 H new ATOM 0 HB3 ASP A 91 1.034 3.445 6.502 1.00 0.13 H new ATOM 1484 N ARG A 92 -1.844 3.522 7.166 1.00 0.30 N ATOM 1485 CA ARG A 92 -2.841 3.565 8.273 1.00 0.38 C ATOM 1486 C ARG A 92 -4.247 3.712 7.688 1.00 0.36 C ATOM 1487 O ARG A 92 -5.220 3.274 8.269 1.00 0.38 O ATOM 1488 CB ARG A 92 -2.541 4.758 9.183 1.00 0.41 C ATOM 1489 CG ARG A 92 -1.230 4.511 9.933 1.00 0.46 C ATOM 1490 CD ARG A 92 -1.531 3.859 11.284 1.00 0.88 C ATOM 1491 NE ARG A 92 -0.251 3.510 11.963 1.00 1.31 N ATOM 1492 CZ ARG A 92 -0.244 3.223 13.235 1.00 1.56 C ATOM 1493 NH1 ARG A 92 -1.358 3.240 13.914 1.00 1.51 N ATOM 1494 NH2 ARG A 92 0.877 2.917 13.829 1.00 2.34 N ATOM 0 H ARG A 92 -1.414 4.417 6.933 1.00 0.30 H new ATOM 0 HA ARG A 92 -2.782 2.643 8.851 1.00 0.38 H new ATOM 0 HB2 ARG A 92 -2.468 5.671 8.592 1.00 0.41 H new ATOM 0 HB3 ARG A 92 -3.356 4.902 9.892 1.00 0.41 H new ATOM 0 HG2 ARG A 92 -0.577 3.867 9.344 1.00 0.46 H new ATOM 0 HG3 ARG A 92 -0.700 5.452 10.081 1.00 0.46 H new ATOM 0 HD2 ARG A 92 -2.112 4.539 11.907 1.00 0.88 H new ATOM 0 HD3 ARG A 92 -2.135 2.963 11.141 1.00 0.88 H new ATOM 0 HE ARG A 92 0.620 3.496 11.432 1.00 1.31 H new ATOM 0 HH11 ARG A 92 -2.235 3.478 13.450 1.00 1.51 H new ATOM 0 HH12 ARG A 92 -1.352 3.015 14.909 1.00 1.51 H new ATOM 0 HH21 ARG A 92 1.748 2.902 13.298 1.00 2.34 H new ATOM 0 HH22 ARG A 92 0.882 2.693 14.824 1.00 2.34 H new ATOM 1508 N ASN A 93 -4.362 4.324 6.541 1.00 0.34 N ATOM 1509 CA ASN A 93 -5.706 4.497 5.921 1.00 0.33 C ATOM 1510 C ASN A 93 -6.289 3.125 5.576 1.00 0.42 C ATOM 1511 O ASN A 93 -7.488 2.928 5.589 1.00 0.78 O ATOM 1512 CB ASN A 93 -5.575 5.331 4.645 1.00 0.21 C ATOM 1513 CG ASN A 93 -4.635 6.510 4.900 1.00 0.34 C ATOM 1514 OD1 ASN A 93 -4.238 7.197 3.979 1.00 0.91 O ATOM 1515 ND2 ASN A 93 -4.258 6.777 6.120 1.00 1.11 N ATOM 0 H ASN A 93 -3.584 4.711 6.007 1.00 0.34 H new ATOM 0 HA ASN A 93 -6.367 5.007 6.622 1.00 0.33 H new ATOM 0 HB2 ASN A 93 -5.190 4.714 3.833 1.00 0.21 H new ATOM 0 HB3 ASN A 93 -6.554 5.694 4.333 1.00 0.21 H new ATOM 0 HD21 ASN A 93 -3.631 7.561 6.300 1.00 1.11 H new ATOM 0 HD22 ASN A 93 -4.590 6.202 6.894 1.00 1.11 H new ATOM 1522 N LEU A 94 -5.451 2.174 5.266 1.00 0.26 N ATOM 1523 CA LEU A 94 -5.958 0.816 4.921 1.00 0.29 C ATOM 1524 C LEU A 94 -6.273 0.049 6.206 1.00 0.40 C ATOM 1525 O LEU A 94 -7.123 -0.820 6.230 1.00 1.02 O ATOM 1526 CB LEU A 94 -4.888 0.060 4.125 1.00 0.27 C ATOM 1527 CG LEU A 94 -4.914 0.511 2.660 1.00 0.62 C ATOM 1528 CD1 LEU A 94 -3.575 0.173 2.003 1.00 0.37 C ATOM 1529 CD2 LEU A 94 -6.039 -0.209 1.906 1.00 1.13 C ATOM 0 H LEU A 94 -4.437 2.279 5.237 1.00 0.26 H new ATOM 0 HA LEU A 94 -6.863 0.907 4.320 1.00 0.29 H new ATOM 0 HB2 LEU A 94 -3.904 0.245 4.555 1.00 0.27 H new ATOM 0 HB3 LEU A 94 -5.066 -1.014 4.188 1.00 0.27 H new ATOM 0 HG LEU A 94 -5.088 1.586 2.622 1.00 0.62 H new ATOM 0 HD11 LEU A 94 -3.590 0.492 0.961 1.00 0.37 H new ATOM 0 HD12 LEU A 94 -2.771 0.688 2.529 1.00 0.37 H new ATOM 0 HD13 LEU A 94 -3.408 -0.903 2.050 1.00 0.37 H new ATOM 0 HD21 LEU A 94 -6.048 0.119 0.867 1.00 1.13 H new ATOM 0 HD22 LEU A 94 -5.873 -1.285 1.945 1.00 1.13 H new ATOM 0 HD23 LEU A 94 -6.997 0.027 2.369 1.00 1.13 H new ATOM 1541 N TRP A 95 -5.595 0.362 7.276 1.00 0.31 N ATOM 1542 CA TRP A 95 -5.853 -0.350 8.559 1.00 0.31 C ATOM 1543 C TRP A 95 -6.938 0.391 9.344 1.00 0.35 C ATOM 1544 O TRP A 95 -7.375 -0.053 10.388 1.00 0.29 O ATOM 1545 CB TRP A 95 -4.565 -0.392 9.384 1.00 0.33 C ATOM 1546 CG TRP A 95 -4.831 -1.066 10.692 1.00 0.33 C ATOM 1547 CD1 TRP A 95 -5.215 -0.436 11.827 1.00 0.44 C ATOM 1548 CD2 TRP A 95 -4.738 -2.483 11.022 1.00 0.30 C ATOM 1549 NE1 TRP A 95 -5.364 -1.377 12.831 1.00 0.47 N ATOM 1550 CE2 TRP A 95 -5.082 -2.652 12.383 1.00 0.40 C ATOM 1551 CE3 TRP A 95 -4.393 -3.625 10.277 1.00 0.28 C ATOM 1552 CZ2 TRP A 95 -5.083 -3.910 12.987 1.00 0.45 C ATOM 1553 CZ3 TRP A 95 -4.393 -4.893 10.881 1.00 0.36 C ATOM 1554 CH2 TRP A 95 -4.737 -5.035 12.232 1.00 0.43 C ATOM 0 H TRP A 95 -4.873 1.081 7.317 1.00 0.31 H new ATOM 0 HA TRP A 95 -6.186 -1.367 8.351 1.00 0.31 H new ATOM 0 HB2 TRP A 95 -3.788 -0.928 8.838 1.00 0.33 H new ATOM 0 HB3 TRP A 95 -4.196 0.620 9.553 1.00 0.33 H new ATOM 0 HD1 TRP A 95 -5.378 0.626 11.932 1.00 0.44 H new ATOM 0 HE1 TRP A 95 -5.648 -1.155 13.785 1.00 0.47 H new ATOM 0 HE3 TRP A 95 -4.127 -3.526 9.235 1.00 0.28 H new ATOM 0 HZ2 TRP A 95 -5.349 -4.014 14.029 1.00 0.45 H new ATOM 0 HZ3 TRP A 95 -4.126 -5.764 10.301 1.00 0.36 H new ATOM 0 HH2 TRP A 95 -4.735 -6.013 12.690 1.00 0.43 H new ATOM 1565 N GLY A 96 -7.374 1.519 8.853 1.00 0.45 N ATOM 1566 CA GLY A 96 -8.428 2.287 9.573 1.00 0.51 C ATOM 1567 C GLY A 96 -9.807 1.725 9.222 1.00 0.51 C ATOM 1568 O GLY A 96 -10.495 1.175 10.059 1.00 0.56 O ATOM 0 H GLY A 96 -7.046 1.941 7.985 1.00 0.45 H new ATOM 0 HA2 GLY A 96 -8.264 2.228 10.649 1.00 0.51 H new ATOM 0 HA3 GLY A 96 -8.374 3.341 9.300 1.00 0.51 H new ATOM 1572 N LEU A 97 -10.218 1.860 7.991 1.00 0.46 N ATOM 1573 CA LEU A 97 -11.554 1.335 7.588 1.00 0.48 C ATOM 1574 C LEU A 97 -11.614 -0.170 7.850 1.00 0.48 C ATOM 1575 O LEU A 97 -12.626 -0.808 7.632 1.00 0.52 O ATOM 1576 CB LEU A 97 -11.795 1.615 6.098 1.00 0.41 C ATOM 1577 CG LEU A 97 -10.592 1.148 5.259 1.00 0.28 C ATOM 1578 CD1 LEU A 97 -10.522 -0.385 5.206 1.00 0.24 C ATOM 1579 CD2 LEU A 97 -10.734 1.691 3.835 1.00 0.23 C ATOM 0 H LEU A 97 -9.687 2.311 7.246 1.00 0.46 H new ATOM 0 HA LEU A 97 -12.328 1.832 8.173 1.00 0.48 H new ATOM 0 HB2 LEU A 97 -12.698 1.101 5.767 1.00 0.41 H new ATOM 0 HB3 LEU A 97 -11.961 2.681 5.945 1.00 0.41 H new ATOM 0 HG LEU A 97 -9.679 1.523 5.721 1.00 0.28 H new ATOM 0 HD11 LEU A 97 -9.664 -0.690 4.607 1.00 0.24 H new ATOM 0 HD12 LEU A 97 -10.418 -0.780 6.217 1.00 0.24 H new ATOM 0 HD13 LEU A 97 -11.435 -0.776 4.756 1.00 0.24 H new ATOM 0 HD21 LEU A 97 -9.885 1.364 3.235 1.00 0.23 H new ATOM 0 HD22 LEU A 97 -11.657 1.316 3.393 1.00 0.23 H new ATOM 0 HD23 LEU A 97 -10.761 2.780 3.862 1.00 0.23 H new ATOM 1591 N ALA A 98 -10.540 -0.747 8.314 1.00 0.47 N ATOM 1592 CA ALA A 98 -10.538 -2.211 8.586 1.00 0.48 C ATOM 1593 C ALA A 98 -10.985 -2.463 10.028 1.00 0.40 C ATOM 1594 O ALA A 98 -12.111 -2.843 10.281 1.00 0.49 O ATOM 1595 CB ALA A 98 -9.127 -2.767 8.384 1.00 0.52 C ATOM 0 H ALA A 98 -9.663 -0.267 8.517 1.00 0.47 H new ATOM 0 HA ALA A 98 -11.225 -2.708 7.901 1.00 0.48 H new ATOM 0 HB1 ALA A 98 -9.126 -3.839 8.583 1.00 0.52 H new ATOM 0 HB2 ALA A 98 -8.809 -2.589 7.357 1.00 0.52 H new ATOM 0 HB3 ALA A 98 -8.439 -2.270 9.068 1.00 0.52 H new ATOM 1601 N GLY A 99 -10.110 -2.258 10.974 1.00 0.36 N ATOM 1602 CA GLY A 99 -10.485 -2.488 12.397 1.00 0.31 C ATOM 1603 C GLY A 99 -10.268 -3.960 12.751 1.00 0.29 C ATOM 1604 O GLY A 99 -10.948 -4.514 13.591 1.00 0.26 O ATOM 0 H GLY A 99 -9.152 -1.941 10.823 1.00 0.36 H new ATOM 0 HA2 GLY A 99 -9.885 -1.854 13.049 1.00 0.31 H new ATOM 0 HA3 GLY A 99 -11.528 -2.214 12.558 1.00 0.31 H new ATOM 1608 N LEU A 100 -9.324 -4.599 12.115 1.00 0.41 N ATOM 1609 CA LEU A 100 -9.063 -6.036 12.414 1.00 0.42 C ATOM 1610 C LEU A 100 -8.071 -6.143 13.573 1.00 0.34 C ATOM 1611 O LEU A 100 -6.949 -5.684 13.487 1.00 0.29 O ATOM 1612 CB LEU A 100 -8.476 -6.716 11.175 1.00 0.39 C ATOM 1613 CG LEU A 100 -9.026 -8.139 11.060 1.00 1.10 C ATOM 1614 CD1 LEU A 100 -8.426 -8.821 9.830 1.00 1.52 C ATOM 1615 CD2 LEU A 100 -8.652 -8.932 12.315 1.00 1.48 C ATOM 0 H LEU A 100 -8.722 -4.188 11.401 1.00 0.41 H new ATOM 0 HA LEU A 100 -9.997 -6.526 12.689 1.00 0.42 H new ATOM 0 HB2 LEU A 100 -8.727 -6.145 10.281 1.00 0.39 H new ATOM 0 HB3 LEU A 100 -7.388 -6.740 11.242 1.00 0.39 H new ATOM 0 HG LEU A 100 -10.111 -8.102 10.961 1.00 1.10 H new ATOM 0 HD11 LEU A 100 -8.818 -9.835 9.749 1.00 1.52 H new ATOM 0 HD12 LEU A 100 -8.690 -8.257 8.936 1.00 1.52 H new ATOM 0 HD13 LEU A 100 -7.341 -8.858 9.928 1.00 1.52 H new ATOM 0 HD21 LEU A 100 -9.043 -9.946 12.235 1.00 1.48 H new ATOM 0 HD22 LEU A 100 -7.567 -8.968 12.413 1.00 1.48 H new ATOM 0 HD23 LEU A 100 -9.079 -8.447 13.193 1.00 1.48 H new ATOM 1627 N ASN A 101 -8.473 -6.747 14.657 1.00 0.40 N ATOM 1628 CA ASN A 101 -7.552 -6.882 15.820 1.00 0.45 C ATOM 1629 C ASN A 101 -6.429 -7.862 15.470 1.00 0.25 C ATOM 1630 O ASN A 101 -5.320 -7.468 15.171 1.00 0.33 O ATOM 1631 CB ASN A 101 -8.329 -7.409 17.029 1.00 0.65 C ATOM 1632 CG ASN A 101 -8.703 -6.240 17.944 1.00 1.00 C ATOM 1633 OD1 ASN A 101 -7.939 -5.866 18.812 1.00 0.43 O ATOM 1634 ND2 ASN A 101 -9.852 -5.645 17.785 1.00 2.23 N ATOM 0 H ASN A 101 -9.400 -7.153 14.788 1.00 0.40 H new ATOM 0 HA ASN A 101 -7.125 -5.908 16.059 1.00 0.45 H new ATOM 0 HB2 ASN A 101 -9.229 -7.928 16.698 1.00 0.65 H new ATOM 0 HB3 ASN A 101 -7.725 -8.134 17.575 1.00 0.65 H new ATOM 0 HD21 ASN A 101 -10.110 -4.865 18.389 1.00 2.23 H new ATOM 0 HD22 ASN A 101 -10.493 -5.959 17.056 1.00 2.23 H new ATOM 1641 N SER A 102 -6.709 -9.137 15.506 1.00 0.12 N ATOM 1642 CA SER A 102 -5.658 -10.139 15.176 1.00 0.12 C ATOM 1643 C SER A 102 -5.682 -10.428 13.673 1.00 0.07 C ATOM 1644 O SER A 102 -6.689 -10.834 13.126 1.00 0.38 O ATOM 1645 CB SER A 102 -5.926 -11.432 15.948 1.00 0.34 C ATOM 1646 OG SER A 102 -4.775 -11.768 16.713 1.00 1.71 O ATOM 0 H SER A 102 -7.620 -9.527 15.750 1.00 0.12 H new ATOM 0 HA SER A 102 -4.681 -9.745 15.455 1.00 0.12 H new ATOM 0 HB2 SER A 102 -6.788 -11.306 16.603 1.00 0.34 H new ATOM 0 HB3 SER A 102 -6.166 -12.239 15.256 1.00 0.34 H new ATOM 0 HG SER A 102 -4.943 -12.595 17.211 1.00 1.71 H new ATOM 1652 N CYS A 103 -4.582 -10.224 13.002 1.00 0.32 N ATOM 1653 CA CYS A 103 -4.543 -10.489 11.535 1.00 0.25 C ATOM 1654 C CYS A 103 -3.145 -10.978 11.135 1.00 0.29 C ATOM 1655 O CYS A 103 -2.429 -10.281 10.444 1.00 0.31 O ATOM 1656 CB CYS A 103 -4.857 -9.192 10.785 1.00 0.26 C ATOM 1657 SG CYS A 103 -4.563 -9.430 9.016 1.00 0.38 S ATOM 0 H CYS A 103 -3.708 -9.885 13.405 1.00 0.32 H new ATOM 0 HA CYS A 103 -5.279 -11.253 11.283 1.00 0.25 H new ATOM 0 HB2 CYS A 103 -5.894 -8.903 10.956 1.00 0.26 H new ATOM 0 HB3 CYS A 103 -4.233 -8.381 11.162 1.00 0.26 H new ATOM 1662 N PRO A 104 -2.790 -12.161 11.581 1.00 0.31 N ATOM 1663 CA PRO A 104 -1.471 -12.743 11.271 1.00 0.34 C ATOM 1664 C PRO A 104 -1.340 -12.991 9.765 1.00 0.25 C ATOM 1665 O PRO A 104 -2.308 -13.269 9.086 1.00 0.13 O ATOM 1666 CB PRO A 104 -1.436 -14.072 12.038 1.00 0.40 C ATOM 1667 CG PRO A 104 -2.796 -14.235 12.762 1.00 0.39 C ATOM 1668 CD PRO A 104 -3.657 -13.009 12.424 1.00 0.32 C ATOM 0 HA PRO A 104 -0.652 -12.083 11.556 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -1.265 -14.904 11.354 1.00 0.40 H new ATOM 0 HB3 PRO A 104 -0.617 -14.077 12.757 1.00 0.40 H new ATOM 0 HG2 PRO A 104 -3.292 -15.151 12.441 1.00 0.39 H new ATOM 0 HG3 PRO A 104 -2.649 -14.313 13.839 1.00 0.39 H new ATOM 0 HD2 PRO A 104 -4.565 -13.297 11.894 1.00 0.32 H new ATOM 0 HD3 PRO A 104 -3.968 -12.483 13.327 1.00 0.32 H new ATOM 1676 N VAL A 105 -0.148 -12.893 9.241 1.00 0.31 N ATOM 1677 CA VAL A 105 0.048 -13.125 7.782 1.00 0.22 C ATOM 1678 C VAL A 105 0.452 -14.583 7.549 1.00 0.22 C ATOM 1679 O VAL A 105 1.244 -15.141 8.282 1.00 0.54 O ATOM 1680 CB VAL A 105 1.153 -12.203 7.264 1.00 0.35 C ATOM 1681 CG1 VAL A 105 2.517 -12.752 7.683 1.00 0.48 C ATOM 1682 CG2 VAL A 105 1.081 -12.131 5.736 1.00 0.52 C ATOM 0 H VAL A 105 0.699 -12.662 9.761 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.881 -12.914 7.252 1.00 0.22 H new ATOM 0 HB VAL A 105 1.019 -11.206 7.684 1.00 0.35 H new ATOM 0 HG11 VAL A 105 3.303 -12.094 7.313 1.00 0.48 H new ATOM 0 HG12 VAL A 105 2.570 -12.805 8.770 1.00 0.48 H new ATOM 0 HG13 VAL A 105 2.652 -13.749 7.265 1.00 0.48 H new ATOM 0 HG21 VAL A 105 1.868 -11.474 5.365 1.00 0.52 H new ATOM 0 HG22 VAL A 105 1.214 -13.129 5.318 1.00 0.52 H new ATOM 0 HG23 VAL A 105 0.109 -11.739 5.436 1.00 0.52 H new ATOM 1692 N LYS A 106 -0.089 -15.205 6.536 1.00 0.19 N ATOM 1693 CA LYS A 106 0.264 -16.626 6.261 1.00 0.22 C ATOM 1694 C LYS A 106 1.426 -16.681 5.265 1.00 0.19 C ATOM 1695 O LYS A 106 2.430 -16.019 5.435 1.00 0.29 O ATOM 1696 CB LYS A 106 -0.953 -17.347 5.675 1.00 0.34 C ATOM 1697 CG LYS A 106 -0.784 -18.858 5.841 1.00 0.71 C ATOM 1698 CD LYS A 106 -1.743 -19.587 4.899 1.00 0.56 C ATOM 1699 CE LYS A 106 -1.035 -19.885 3.577 1.00 1.62 C ATOM 1700 NZ LYS A 106 -1.980 -20.570 2.649 1.00 2.42 N ATOM 0 H LYS A 106 -0.759 -14.790 5.888 1.00 0.19 H new ATOM 0 HA LYS A 106 0.562 -17.115 7.189 1.00 0.22 H new ATOM 0 HB2 LYS A 106 -1.862 -17.015 6.178 1.00 0.34 H new ATOM 0 HB3 LYS A 106 -1.063 -17.097 4.620 1.00 0.34 H new ATOM 0 HG2 LYS A 106 0.245 -19.145 5.623 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.983 -19.145 6.873 1.00 0.71 H new ATOM 0 HD2 LYS A 106 -2.084 -20.515 5.358 1.00 0.56 H new ATOM 0 HD3 LYS A 106 -2.628 -18.976 4.720 1.00 0.56 H new ATOM 0 HE2 LYS A 106 -0.675 -18.959 3.128 1.00 1.62 H new ATOM 0 HE3 LYS A 106 -0.162 -20.514 3.753 1.00 1.62 H new ATOM 0 HZ1 LYS A 106 -1.498 -20.773 1.750 1.00 2.42 H new ATOM 0 HZ2 LYS A 106 -2.302 -21.461 3.077 1.00 2.42 H new ATOM 0 HZ3 LYS A 106 -2.799 -19.955 2.472 1.00 2.42 H new ATOM 1714 N GLU A 107 1.295 -17.466 4.227 1.00 0.38 N ATOM 1715 CA GLU A 107 2.389 -17.567 3.218 1.00 0.36 C ATOM 1716 C GLU A 107 2.060 -16.680 2.016 1.00 0.41 C ATOM 1717 O GLU A 107 1.157 -15.869 2.060 1.00 0.99 O ATOM 1718 CB GLU A 107 2.520 -19.020 2.756 1.00 0.53 C ATOM 1719 CG GLU A 107 3.249 -19.833 3.827 1.00 0.91 C ATOM 1720 CD GLU A 107 3.094 -21.326 3.530 1.00 1.95 C ATOM 1721 OE1 GLU A 107 3.696 -21.785 2.573 1.00 2.24 O ATOM 1722 OE2 GLU A 107 2.375 -21.985 4.264 1.00 2.93 O ATOM 0 H GLU A 107 0.476 -18.042 4.035 1.00 0.38 H new ATOM 0 HA GLU A 107 3.327 -17.239 3.665 1.00 0.36 H new ATOM 0 HB2 GLU A 107 1.533 -19.444 2.571 1.00 0.53 H new ATOM 0 HB3 GLU A 107 3.068 -19.065 1.815 1.00 0.53 H new ATOM 0 HG2 GLU A 107 4.305 -19.563 3.847 1.00 0.91 H new ATOM 0 HG3 GLU A 107 2.843 -19.603 4.812 1.00 0.91 H new ATOM 1729 N ALA A 108 2.785 -16.830 0.941 1.00 0.28 N ATOM 1730 CA ALA A 108 2.514 -15.996 -0.264 1.00 0.45 C ATOM 1731 C ALA A 108 3.643 -16.185 -1.279 1.00 0.29 C ATOM 1732 O ALA A 108 4.674 -16.752 -0.977 1.00 0.25 O ATOM 1733 CB ALA A 108 2.434 -14.524 0.141 1.00 0.89 C ATOM 0 H ALA A 108 3.553 -17.494 0.845 1.00 0.28 H new ATOM 0 HA ALA A 108 1.568 -16.301 -0.711 1.00 0.45 H new ATOM 0 HB1 ALA A 108 2.236 -13.914 -0.741 1.00 0.89 H new ATOM 0 HB2 ALA A 108 1.630 -14.389 0.864 1.00 0.89 H new ATOM 0 HB3 ALA A 108 3.380 -14.218 0.589 1.00 0.89 H new ATOM 1739 N ASP A 109 3.457 -15.713 -2.482 1.00 0.37 N ATOM 1740 CA ASP A 109 4.521 -15.866 -3.514 1.00 0.28 C ATOM 1741 C ASP A 109 5.414 -14.623 -3.514 1.00 0.09 C ATOM 1742 O ASP A 109 6.237 -14.439 -2.638 1.00 0.35 O ATOM 1743 CB ASP A 109 3.874 -16.029 -4.892 1.00 0.41 C ATOM 1744 CG ASP A 109 3.428 -17.480 -5.078 1.00 0.21 C ATOM 1745 OD1 ASP A 109 4.284 -18.348 -5.068 1.00 1.36 O ATOM 1746 OD2 ASP A 109 2.237 -17.698 -5.228 1.00 1.16 O ATOM 0 H ASP A 109 2.615 -15.229 -2.794 1.00 0.37 H new ATOM 0 HA ASP A 109 5.123 -16.746 -3.288 1.00 0.28 H new ATOM 0 HB2 ASP A 109 3.019 -15.360 -4.985 1.00 0.41 H new ATOM 0 HB3 ASP A 109 4.582 -15.752 -5.673 1.00 0.41 H new ATOM 1751 N GLN A 110 5.261 -13.770 -4.489 1.00 0.40 N ATOM 1752 CA GLN A 110 6.102 -12.541 -4.544 1.00 0.25 C ATOM 1753 C GLN A 110 5.520 -11.570 -5.574 1.00 0.34 C ATOM 1754 O GLN A 110 4.724 -11.943 -6.412 1.00 0.59 O ATOM 1755 CB GLN A 110 7.530 -12.918 -4.946 1.00 0.37 C ATOM 1756 CG GLN A 110 8.323 -11.649 -5.260 1.00 1.23 C ATOM 1757 CD GLN A 110 9.820 -11.970 -5.263 1.00 1.47 C ATOM 1758 OE1 GLN A 110 10.548 -11.516 -6.123 1.00 2.60 O ATOM 1759 NE2 GLN A 110 10.311 -12.738 -4.330 1.00 0.59 N ATOM 0 H GLN A 110 4.590 -13.871 -5.250 1.00 0.40 H new ATOM 0 HA GLN A 110 6.115 -12.065 -3.564 1.00 0.25 H new ATOM 0 HB2 GLN A 110 8.012 -13.471 -4.140 1.00 0.37 H new ATOM 0 HB3 GLN A 110 7.513 -13.574 -5.816 1.00 0.37 H new ATOM 0 HG2 GLN A 110 8.024 -11.251 -6.230 1.00 1.23 H new ATOM 0 HG3 GLN A 110 8.107 -10.880 -4.519 1.00 1.23 H new ATOM 0 HE21 GLN A 110 9.699 -13.119 -3.608 1.00 0.59 H new ATOM 0 HE22 GLN A 110 11.307 -12.958 -4.322 1.00 0.59 H new ATOM 1768 N SER A 111 5.912 -10.327 -5.519 1.00 0.15 N ATOM 1769 CA SER A 111 5.382 -9.334 -6.495 1.00 0.22 C ATOM 1770 C SER A 111 6.251 -8.075 -6.465 1.00 0.19 C ATOM 1771 O SER A 111 6.970 -7.827 -5.517 1.00 0.04 O ATOM 1772 CB SER A 111 3.945 -8.969 -6.121 1.00 0.25 C ATOM 1773 OG SER A 111 3.814 -8.968 -4.706 1.00 0.28 O ATOM 0 H SER A 111 6.577 -9.956 -4.840 1.00 0.15 H new ATOM 0 HA SER A 111 5.400 -9.764 -7.496 1.00 0.22 H new ATOM 0 HB2 SER A 111 3.691 -7.988 -6.522 1.00 0.25 H new ATOM 0 HB3 SER A 111 3.250 -9.683 -6.562 1.00 0.25 H new ATOM 0 HG SER A 111 3.860 -8.047 -4.374 1.00 0.28 H new ATOM 1779 N THR A 112 6.193 -7.278 -7.497 1.00 0.37 N ATOM 1780 CA THR A 112 7.015 -6.036 -7.529 1.00 0.35 C ATOM 1781 C THR A 112 6.194 -4.864 -6.987 1.00 0.34 C ATOM 1782 O THR A 112 4.995 -4.797 -7.174 1.00 0.37 O ATOM 1783 CB THR A 112 7.438 -5.739 -8.969 1.00 0.38 C ATOM 1784 OG1 THR A 112 6.291 -5.756 -9.809 1.00 0.47 O ATOM 1785 CG2 THR A 112 8.433 -6.800 -9.440 1.00 0.44 C ATOM 0 H THR A 112 5.611 -7.434 -8.320 1.00 0.37 H new ATOM 0 HA THR A 112 7.902 -6.174 -6.911 1.00 0.35 H new ATOM 0 HB THR A 112 7.910 -4.757 -9.015 1.00 0.38 H new ATOM 0 HG1 THR A 112 6.326 -6.541 -10.394 1.00 0.47 H new ATOM 0 HG21 THR A 112 8.733 -6.587 -10.466 1.00 0.44 H new ATOM 0 HG22 THR A 112 9.311 -6.787 -8.795 1.00 0.44 H new ATOM 0 HG23 THR A 112 7.965 -7.783 -9.396 1.00 0.44 H new ATOM 1793 N LEU A 113 6.827 -3.942 -6.317 1.00 0.32 N ATOM 1794 CA LEU A 113 6.079 -2.777 -5.764 1.00 0.31 C ATOM 1795 C LEU A 113 5.327 -2.072 -6.894 1.00 0.32 C ATOM 1796 O LEU A 113 4.232 -1.577 -6.709 1.00 0.31 O ATOM 1797 CB LEU A 113 7.066 -1.796 -5.122 1.00 0.27 C ATOM 1798 CG LEU A 113 6.324 -0.883 -4.138 1.00 0.30 C ATOM 1799 CD1 LEU A 113 6.109 -1.605 -2.802 1.00 0.53 C ATOM 1800 CD2 LEU A 113 7.153 0.382 -3.901 1.00 0.33 C ATOM 0 H LEU A 113 7.829 -3.944 -6.128 1.00 0.32 H new ATOM 0 HA LEU A 113 5.369 -3.124 -5.014 1.00 0.31 H new ATOM 0 HB2 LEU A 113 7.852 -2.344 -4.602 1.00 0.27 H new ATOM 0 HB3 LEU A 113 7.551 -1.197 -5.893 1.00 0.27 H new ATOM 0 HG LEU A 113 5.354 -0.620 -4.559 1.00 0.30 H new ATOM 0 HD11 LEU A 113 5.581 -0.946 -2.113 1.00 0.53 H new ATOM 0 HD12 LEU A 113 5.518 -2.506 -2.966 1.00 0.53 H new ATOM 0 HD13 LEU A 113 7.075 -1.877 -2.376 1.00 0.53 H new ATOM 0 HD21 LEU A 113 6.630 1.034 -3.202 1.00 0.33 H new ATOM 0 HD22 LEU A 113 8.123 0.109 -3.486 1.00 0.33 H new ATOM 0 HD23 LEU A 113 7.297 0.905 -4.846 1.00 0.33 H new ATOM 1812 N GLU A 114 5.904 -2.020 -8.063 1.00 0.36 N ATOM 1813 CA GLU A 114 5.221 -1.346 -9.202 1.00 0.39 C ATOM 1814 C GLU A 114 3.941 -2.107 -9.555 1.00 0.42 C ATOM 1815 O GLU A 114 2.848 -1.682 -9.239 1.00 0.42 O ATOM 1816 CB GLU A 114 6.154 -1.323 -10.416 1.00 0.40 C ATOM 1817 CG GLU A 114 5.609 -0.348 -11.459 1.00 0.52 C ATOM 1818 CD GLU A 114 5.924 1.087 -11.031 1.00 2.16 C ATOM 1819 OE1 GLU A 114 7.090 1.448 -11.051 1.00 2.63 O ATOM 1820 OE2 GLU A 114 4.995 1.800 -10.690 1.00 3.41 O ATOM 0 H GLU A 114 6.819 -2.415 -8.278 1.00 0.36 H new ATOM 0 HA GLU A 114 4.968 -0.324 -8.919 1.00 0.39 H new ATOM 0 HB2 GLU A 114 7.157 -1.024 -10.112 1.00 0.40 H new ATOM 0 HB3 GLU A 114 6.236 -2.322 -10.844 1.00 0.40 H new ATOM 0 HG2 GLU A 114 6.054 -0.554 -12.432 1.00 0.52 H new ATOM 0 HG3 GLU A 114 4.532 -0.479 -11.567 1.00 0.52 H new ATOM 1827 N ASN A 115 4.067 -3.231 -10.207 1.00 0.46 N ATOM 1828 CA ASN A 115 2.857 -4.016 -10.578 1.00 0.50 C ATOM 1829 C ASN A 115 1.957 -4.175 -9.350 1.00 0.46 C ATOM 1830 O ASN A 115 0.757 -3.999 -9.421 1.00 0.51 O ATOM 1831 CB ASN A 115 3.279 -5.398 -11.082 1.00 0.54 C ATOM 1832 CG ASN A 115 4.295 -5.239 -12.214 1.00 0.54 C ATOM 1833 OD1 ASN A 115 4.021 -5.589 -13.345 1.00 0.68 O ATOM 1834 ND2 ASN A 115 5.466 -4.724 -11.957 1.00 1.46 N ATOM 0 H ASN A 115 4.955 -3.639 -10.498 1.00 0.46 H new ATOM 0 HA ASN A 115 2.312 -3.493 -11.364 1.00 0.50 H new ATOM 0 HB2 ASN A 115 3.714 -5.977 -10.267 1.00 0.54 H new ATOM 0 HB3 ASN A 115 2.408 -5.950 -11.435 1.00 0.54 H new ATOM 0 HD21 ASN A 115 6.151 -4.615 -12.705 1.00 1.46 H new ATOM 0 HD22 ASN A 115 5.697 -4.430 -11.008 1.00 1.46 H new ATOM 1841 N PHE A 116 2.529 -4.507 -8.226 1.00 0.39 N ATOM 1842 CA PHE A 116 1.708 -4.677 -6.994 1.00 0.35 C ATOM 1843 C PHE A 116 0.846 -3.431 -6.778 1.00 0.32 C ATOM 1844 O PHE A 116 -0.318 -3.521 -6.441 1.00 0.33 O ATOM 1845 CB PHE A 116 2.633 -4.872 -5.790 1.00 0.28 C ATOM 1846 CG PHE A 116 1.805 -5.024 -4.537 1.00 0.22 C ATOM 1847 CD1 PHE A 116 1.289 -3.890 -3.896 1.00 0.30 C ATOM 1848 CD2 PHE A 116 1.551 -6.298 -4.016 1.00 0.23 C ATOM 1849 CE1 PHE A 116 0.521 -4.032 -2.735 1.00 0.36 C ATOM 1850 CE2 PHE A 116 0.783 -6.440 -2.854 1.00 0.31 C ATOM 1851 CZ PHE A 116 0.268 -5.306 -2.214 1.00 0.36 C ATOM 0 H PHE A 116 3.529 -4.668 -8.107 1.00 0.39 H new ATOM 0 HA PHE A 116 1.063 -5.549 -7.104 1.00 0.35 H new ATOM 0 HB2 PHE A 116 3.256 -5.754 -5.936 1.00 0.28 H new ATOM 0 HB3 PHE A 116 3.305 -4.020 -5.693 1.00 0.28 H new ATOM 0 HD1 PHE A 116 1.484 -2.907 -4.298 1.00 0.30 H new ATOM 0 HD2 PHE A 116 1.948 -7.172 -4.511 1.00 0.23 H new ATOM 0 HE1 PHE A 116 0.123 -3.158 -2.241 1.00 0.36 H new ATOM 0 HE2 PHE A 116 0.588 -7.423 -2.452 1.00 0.31 H new ATOM 0 HZ PHE A 116 -0.325 -5.415 -1.318 1.00 0.36 H new ATOM 1861 N LEU A 117 1.408 -2.269 -6.969 1.00 0.32 N ATOM 1862 CA LEU A 117 0.620 -1.020 -6.774 1.00 0.31 C ATOM 1863 C LEU A 117 -0.416 -0.889 -7.893 1.00 0.39 C ATOM 1864 O LEU A 117 -1.399 -0.186 -7.763 1.00 0.45 O ATOM 1865 CB LEU A 117 1.560 0.187 -6.806 1.00 0.28 C ATOM 1866 CG LEU A 117 1.961 0.564 -5.377 1.00 0.29 C ATOM 1867 CD1 LEU A 117 3.244 1.397 -5.412 1.00 0.17 C ATOM 1868 CD2 LEU A 117 0.842 1.383 -4.728 1.00 0.42 C ATOM 0 H LEU A 117 2.378 -2.131 -7.252 1.00 0.32 H new ATOM 0 HA LEU A 117 0.111 -1.059 -5.811 1.00 0.31 H new ATOM 0 HB2 LEU A 117 2.448 -0.046 -7.394 1.00 0.28 H new ATOM 0 HB3 LEU A 117 1.069 1.030 -7.291 1.00 0.28 H new ATOM 0 HG LEU A 117 2.129 -0.344 -4.797 1.00 0.29 H new ATOM 0 HD11 LEU A 117 3.531 1.666 -4.395 1.00 0.17 H new ATOM 0 HD12 LEU A 117 4.043 0.816 -5.873 1.00 0.17 H new ATOM 0 HD13 LEU A 117 3.074 2.303 -5.993 1.00 0.17 H new ATOM 0 HD21 LEU A 117 1.130 1.650 -3.711 1.00 0.42 H new ATOM 0 HD22 LEU A 117 0.672 2.291 -5.307 1.00 0.42 H new ATOM 0 HD23 LEU A 117 -0.074 0.792 -4.703 1.00 0.42 H new ATOM 1880 N GLU A 118 -0.204 -1.561 -8.991 1.00 0.40 N ATOM 1881 CA GLU A 118 -1.177 -1.473 -10.116 1.00 0.49 C ATOM 1882 C GLU A 118 -2.388 -2.357 -9.814 1.00 0.44 C ATOM 1883 O GLU A 118 -3.483 -1.874 -9.602 1.00 0.46 O ATOM 1884 CB GLU A 118 -0.507 -1.951 -11.408 1.00 0.58 C ATOM 1885 CG GLU A 118 -1.342 -1.507 -12.610 1.00 0.66 C ATOM 1886 CD GLU A 118 -0.940 -0.088 -13.016 1.00 1.62 C ATOM 1887 OE1 GLU A 118 0.075 0.052 -13.680 1.00 1.60 O ATOM 1888 OE2 GLU A 118 -1.653 0.835 -12.658 1.00 2.69 O ATOM 0 H GLU A 118 0.600 -2.166 -9.158 1.00 0.40 H new ATOM 0 HA GLU A 118 -1.502 -0.439 -10.235 1.00 0.49 H new ATOM 0 HB2 GLU A 118 0.501 -1.542 -11.481 1.00 0.58 H new ATOM 0 HB3 GLU A 118 -0.410 -3.037 -11.400 1.00 0.58 H new ATOM 0 HG2 GLU A 118 -1.190 -2.192 -13.444 1.00 0.66 H new ATOM 0 HG3 GLU A 118 -2.403 -1.538 -12.361 1.00 0.66 H new ATOM 1895 N ARG A 119 -2.202 -3.648 -9.792 1.00 0.43 N ATOM 1896 CA ARG A 119 -3.345 -4.561 -9.504 1.00 0.39 C ATOM 1897 C ARG A 119 -4.105 -4.058 -8.275 1.00 0.35 C ATOM 1898 O ARG A 119 -5.319 -4.082 -8.232 1.00 0.41 O ATOM 1899 CB ARG A 119 -2.815 -5.971 -9.234 1.00 0.39 C ATOM 1900 CG ARG A 119 -1.864 -5.939 -8.036 1.00 0.38 C ATOM 1901 CD ARG A 119 -1.023 -7.217 -8.015 1.00 0.40 C ATOM 1902 NE ARG A 119 -1.751 -8.302 -8.732 1.00 0.53 N ATOM 1903 CZ ARG A 119 -1.117 -9.381 -9.101 1.00 0.59 C ATOM 1904 NH1 ARG A 119 0.156 -9.511 -8.839 1.00 0.61 N ATOM 1905 NH2 ARG A 119 -1.753 -10.330 -9.729 1.00 0.77 N ATOM 0 H ARG A 119 -1.309 -4.110 -9.961 1.00 0.43 H new ATOM 0 HA ARG A 119 -4.017 -4.583 -10.362 1.00 0.39 H new ATOM 0 HB2 ARG A 119 -3.644 -6.651 -9.036 1.00 0.39 H new ATOM 0 HB3 ARG A 119 -2.296 -6.350 -10.114 1.00 0.39 H new ATOM 0 HG2 ARG A 119 -1.215 -5.065 -8.097 1.00 0.38 H new ATOM 0 HG3 ARG A 119 -2.432 -5.850 -7.110 1.00 0.38 H new ATOM 0 HD2 ARG A 119 -0.058 -7.038 -8.488 1.00 0.40 H new ATOM 0 HD3 ARG A 119 -0.823 -7.517 -6.986 1.00 0.40 H new ATOM 0 HE ARG A 119 -2.746 -8.201 -8.934 1.00 0.53 H new ATOM 0 HH11 ARG A 119 0.654 -8.769 -8.346 1.00 0.61 H new ATOM 0 HH12 ARG A 119 0.652 -10.354 -9.127 1.00 0.61 H new ATOM 0 HH21 ARG A 119 -2.747 -10.229 -9.932 1.00 0.77 H new ATOM 0 HH22 ARG A 119 -1.256 -11.173 -10.017 1.00 0.77 H new ATOM 1919 N LEU A 120 -3.401 -3.602 -7.276 1.00 0.27 N ATOM 1920 CA LEU A 120 -4.085 -3.098 -6.052 1.00 0.25 C ATOM 1921 C LEU A 120 -4.969 -1.905 -6.423 1.00 0.26 C ATOM 1922 O LEU A 120 -6.168 -1.924 -6.226 1.00 0.25 O ATOM 1923 CB LEU A 120 -3.035 -2.659 -5.027 1.00 0.25 C ATOM 1924 CG LEU A 120 -3.651 -2.630 -3.623 1.00 0.25 C ATOM 1925 CD1 LEU A 120 -2.565 -2.297 -2.598 1.00 0.26 C ATOM 1926 CD2 LEU A 120 -4.751 -1.567 -3.555 1.00 0.26 C ATOM 0 H LEU A 120 -2.382 -3.557 -7.254 1.00 0.27 H new ATOM 0 HA LEU A 120 -4.701 -3.889 -5.623 1.00 0.25 H new ATOM 0 HB2 LEU A 120 -2.187 -3.344 -5.047 1.00 0.25 H new ATOM 0 HB3 LEU A 120 -2.653 -1.671 -5.286 1.00 0.25 H new ATOM 0 HG LEU A 120 -4.081 -3.607 -3.403 1.00 0.25 H new ATOM 0 HD11 LEU A 120 -3.001 -2.276 -1.599 1.00 0.26 H new ATOM 0 HD12 LEU A 120 -1.783 -3.056 -2.637 1.00 0.26 H new ATOM 0 HD13 LEU A 120 -2.135 -1.322 -2.827 1.00 0.26 H new ATOM 0 HD21 LEU A 120 -5.183 -1.554 -2.554 1.00 0.26 H new ATOM 0 HD22 LEU A 120 -4.326 -0.589 -3.780 1.00 0.26 H new ATOM 0 HD23 LEU A 120 -5.528 -1.801 -4.282 1.00 0.26 H new ATOM 1938 N LYS A 121 -4.388 -0.869 -6.961 1.00 0.28 N ATOM 1939 CA LYS A 121 -5.196 0.324 -7.345 1.00 0.30 C ATOM 1940 C LYS A 121 -6.436 -0.128 -8.120 1.00 0.35 C ATOM 1941 O LYS A 121 -7.522 0.376 -7.918 1.00 0.36 O ATOM 1942 CB LYS A 121 -4.353 1.248 -8.227 1.00 0.31 C ATOM 1943 CG LYS A 121 -5.112 2.554 -8.469 1.00 0.33 C ATOM 1944 CD LYS A 121 -4.287 3.462 -9.384 1.00 0.41 C ATOM 1945 CE LYS A 121 -4.717 3.251 -10.836 1.00 0.85 C ATOM 1946 NZ LYS A 121 -3.884 4.103 -11.731 1.00 0.91 N ATOM 0 H LYS A 121 -3.389 -0.796 -7.152 1.00 0.28 H new ATOM 0 HA LYS A 121 -5.504 0.859 -6.447 1.00 0.30 H new ATOM 0 HB2 LYS A 121 -3.397 1.454 -7.746 1.00 0.31 H new ATOM 0 HB3 LYS A 121 -4.134 0.761 -9.177 1.00 0.31 H new ATOM 0 HG2 LYS A 121 -6.081 2.345 -8.923 1.00 0.33 H new ATOM 0 HG3 LYS A 121 -5.306 3.055 -7.521 1.00 0.33 H new ATOM 0 HD2 LYS A 121 -4.427 4.505 -9.100 1.00 0.41 H new ATOM 0 HD3 LYS A 121 -3.226 3.241 -9.272 1.00 0.41 H new ATOM 0 HE2 LYS A 121 -4.607 2.202 -11.110 1.00 0.85 H new ATOM 0 HE3 LYS A 121 -5.771 3.503 -10.954 1.00 0.85 H new ATOM 0 HZ1 LYS A 121 -4.385 4.257 -12.629 1.00 0.91 H new ATOM 0 HZ2 LYS A 121 -3.707 5.019 -11.272 1.00 0.91 H new ATOM 0 HZ3 LYS A 121 -2.978 3.628 -11.917 1.00 0.91 H new ATOM 1960 N THR A 122 -6.282 -1.074 -9.005 1.00 0.38 N ATOM 1961 CA THR A 122 -7.452 -1.557 -9.791 1.00 0.43 C ATOM 1962 C THR A 122 -8.453 -2.235 -8.854 1.00 0.39 C ATOM 1963 O THR A 122 -9.621 -1.900 -8.830 1.00 0.46 O ATOM 1964 CB THR A 122 -6.980 -2.560 -10.846 1.00 0.46 C ATOM 1965 OG1 THR A 122 -5.952 -1.971 -11.631 1.00 0.62 O ATOM 1966 CG2 THR A 122 -8.154 -2.948 -11.746 1.00 0.58 C ATOM 0 H THR A 122 -5.397 -1.533 -9.218 1.00 0.38 H new ATOM 0 HA THR A 122 -7.932 -0.711 -10.283 1.00 0.43 H new ATOM 0 HB THR A 122 -6.594 -3.452 -10.353 1.00 0.46 H new ATOM 0 HG1 THR A 122 -5.108 -1.994 -11.134 1.00 0.62 H new ATOM 0 HG21 THR A 122 -7.816 -3.662 -12.497 1.00 0.58 H new ATOM 0 HG22 THR A 122 -8.941 -3.401 -11.143 1.00 0.58 H new ATOM 0 HG23 THR A 122 -8.543 -2.058 -12.241 1.00 0.58 H new ATOM 1974 N ILE A 123 -8.005 -3.186 -8.080 1.00 0.30 N ATOM 1975 CA ILE A 123 -8.932 -3.884 -7.145 1.00 0.27 C ATOM 1976 C ILE A 123 -9.757 -2.849 -6.379 1.00 0.29 C ATOM 1977 O ILE A 123 -10.948 -3.004 -6.197 1.00 0.32 O ATOM 1978 CB ILE A 123 -8.121 -4.723 -6.157 1.00 0.20 C ATOM 1979 CG1 ILE A 123 -7.624 -5.992 -6.854 1.00 0.19 C ATOM 1980 CG2 ILE A 123 -9.005 -5.109 -4.968 1.00 0.18 C ATOM 1981 CD1 ILE A 123 -6.564 -6.671 -5.984 1.00 0.19 C ATOM 0 H ILE A 123 -7.038 -3.509 -8.055 1.00 0.30 H new ATOM 0 HA ILE A 123 -9.600 -4.534 -7.711 1.00 0.27 H new ATOM 0 HB ILE A 123 -7.268 -4.143 -5.803 1.00 0.20 H new ATOM 0 HG12 ILE A 123 -8.457 -6.673 -7.029 1.00 0.19 H new ATOM 0 HG13 ILE A 123 -7.205 -5.744 -7.829 1.00 0.19 H new ATOM 0 HG21 ILE A 123 -8.427 -5.707 -4.264 1.00 0.18 H new ATOM 0 HG22 ILE A 123 -9.361 -4.206 -4.471 1.00 0.18 H new ATOM 0 HG23 ILE A 123 -9.858 -5.689 -5.322 1.00 0.18 H new ATOM 0 HD11 ILE A 123 -6.210 -7.575 -6.480 1.00 0.19 H new ATOM 0 HD12 ILE A 123 -5.727 -5.989 -5.832 1.00 0.19 H new ATOM 0 HD13 ILE A 123 -6.999 -6.933 -5.019 1.00 0.19 H new ATOM 1993 N MET A 124 -9.134 -1.794 -5.930 1.00 0.29 N ATOM 1994 CA MET A 124 -9.885 -0.751 -5.177 1.00 0.31 C ATOM 1995 C MET A 124 -11.025 -0.217 -6.045 1.00 0.36 C ATOM 1996 O MET A 124 -12.175 -0.223 -5.651 1.00 0.38 O ATOM 1997 CB MET A 124 -8.939 0.397 -4.816 1.00 0.33 C ATOM 1998 CG MET A 124 -8.203 0.063 -3.517 1.00 0.41 C ATOM 1999 SD MET A 124 -9.359 0.158 -2.127 1.00 1.13 S ATOM 2000 CE MET A 124 -8.132 0.479 -0.835 1.00 0.72 C ATOM 0 H MET A 124 -8.138 -1.610 -6.052 1.00 0.29 H new ATOM 0 HA MET A 124 -10.295 -1.185 -4.265 1.00 0.31 H new ATOM 0 HB2 MET A 124 -8.222 0.559 -5.621 1.00 0.33 H new ATOM 0 HB3 MET A 124 -9.502 1.323 -4.700 1.00 0.33 H new ATOM 0 HG2 MET A 124 -7.772 -0.936 -3.577 1.00 0.41 H new ATOM 0 HG3 MET A 124 -7.377 0.758 -3.365 1.00 0.41 H new ATOM 0 HE1 MET A 124 -8.277 -0.222 -0.013 1.00 0.72 H new ATOM 0 HE2 MET A 124 -7.130 0.354 -1.246 1.00 0.72 H new ATOM 0 HE3 MET A 124 -8.249 1.498 -0.467 1.00 0.72 H new ATOM 2010 N ARG A 125 -10.718 0.245 -7.227 1.00 0.37 N ATOM 2011 CA ARG A 125 -11.785 0.778 -8.119 1.00 0.41 C ATOM 2012 C ARG A 125 -12.905 -0.256 -8.248 1.00 0.52 C ATOM 2013 O ARG A 125 -14.042 0.076 -8.521 1.00 0.58 O ATOM 2014 CB ARG A 125 -11.196 1.067 -9.502 1.00 0.44 C ATOM 2015 CG ARG A 125 -12.014 2.163 -10.187 1.00 1.52 C ATOM 2016 CD ARG A 125 -11.425 3.532 -9.841 1.00 1.61 C ATOM 2017 NE ARG A 125 -12.343 4.603 -10.323 1.00 2.45 N ATOM 2018 CZ ARG A 125 -12.204 5.825 -9.887 1.00 3.17 C ATOM 2019 NH1 ARG A 125 -11.263 6.109 -9.029 1.00 3.33 N ATOM 2020 NH2 ARG A 125 -13.007 6.763 -10.309 1.00 3.91 N ATOM 0 H ARG A 125 -9.774 0.276 -7.613 1.00 0.37 H new ATOM 0 HA ARG A 125 -12.187 1.698 -7.695 1.00 0.41 H new ATOM 0 HB2 ARG A 125 -10.156 1.380 -9.408 1.00 0.44 H new ATOM 0 HB3 ARG A 125 -11.203 0.161 -10.108 1.00 0.44 H new ATOM 0 HG2 ARG A 125 -12.007 2.015 -11.267 1.00 1.52 H new ATOM 0 HG3 ARG A 125 -13.054 2.111 -9.864 1.00 1.52 H new ATOM 0 HD2 ARG A 125 -11.283 3.617 -8.764 1.00 1.61 H new ATOM 0 HD3 ARG A 125 -10.444 3.645 -10.302 1.00 1.61 H new ATOM 0 HE ARG A 125 -13.079 4.381 -10.993 1.00 2.45 H new ATOM 0 HH11 ARG A 125 -10.636 5.376 -8.699 1.00 3.33 H new ATOM 0 HH12 ARG A 125 -11.155 7.064 -8.688 1.00 3.33 H new ATOM 0 HH21 ARG A 125 -13.743 6.541 -10.979 1.00 3.91 H new ATOM 0 HH22 ARG A 125 -12.899 7.718 -9.968 1.00 3.91 H new ATOM 2034 N GLU A 126 -12.594 -1.508 -8.055 1.00 0.56 N ATOM 2035 CA GLU A 126 -13.642 -2.563 -8.167 1.00 0.67 C ATOM 2036 C GLU A 126 -14.564 -2.495 -6.948 1.00 0.68 C ATOM 2037 O GLU A 126 -15.768 -2.383 -7.075 1.00 0.74 O ATOM 2038 CB GLU A 126 -12.976 -3.939 -8.228 1.00 0.73 C ATOM 2039 CG GLU A 126 -13.856 -4.897 -9.032 1.00 0.93 C ATOM 2040 CD GLU A 126 -15.257 -4.942 -8.419 1.00 2.71 C ATOM 2041 OE1 GLU A 126 -15.349 -5.093 -7.211 1.00 3.44 O ATOM 2042 OE2 GLU A 126 -16.213 -4.822 -9.166 1.00 3.77 O ATOM 0 H GLU A 126 -11.660 -1.847 -7.825 1.00 0.56 H new ATOM 0 HA GLU A 126 -14.225 -2.402 -9.074 1.00 0.67 H new ATOM 0 HB2 GLU A 126 -11.992 -3.858 -8.690 1.00 0.73 H new ATOM 0 HB3 GLU A 126 -12.825 -4.326 -7.220 1.00 0.73 H new ATOM 0 HG2 GLU A 126 -13.913 -4.570 -10.070 1.00 0.93 H new ATOM 0 HG3 GLU A 126 -13.417 -5.895 -9.035 1.00 0.93 H new ATOM 2049 N LYS A 127 -14.011 -2.564 -5.769 1.00 0.64 N ATOM 2050 CA LYS A 127 -14.858 -2.503 -4.544 1.00 0.67 C ATOM 2051 C LYS A 127 -15.160 -1.043 -4.203 1.00 0.67 C ATOM 2052 O LYS A 127 -15.802 -0.745 -3.216 1.00 0.88 O ATOM 2053 CB LYS A 127 -14.113 -3.156 -3.377 1.00 0.62 C ATOM 2054 CG LYS A 127 -13.392 -4.412 -3.869 1.00 0.51 C ATOM 2055 CD LYS A 127 -13.479 -5.503 -2.800 1.00 0.70 C ATOM 2056 CE LYS A 127 -12.402 -6.558 -3.058 1.00 0.44 C ATOM 2057 NZ LYS A 127 -12.951 -7.911 -2.761 1.00 1.55 N ATOM 0 H LYS A 127 -13.010 -2.660 -5.600 1.00 0.64 H new ATOM 0 HA LYS A 127 -15.793 -3.034 -4.722 1.00 0.67 H new ATOM 0 HB2 LYS A 127 -13.395 -2.455 -2.952 1.00 0.62 H new ATOM 0 HB3 LYS A 127 -14.814 -3.414 -2.583 1.00 0.62 H new ATOM 0 HG2 LYS A 127 -13.842 -4.762 -4.798 1.00 0.51 H new ATOM 0 HG3 LYS A 127 -12.349 -4.184 -4.086 1.00 0.51 H new ATOM 0 HD2 LYS A 127 -13.347 -5.068 -1.810 1.00 0.70 H new ATOM 0 HD3 LYS A 127 -14.466 -5.965 -2.816 1.00 0.70 H new ATOM 0 HE2 LYS A 127 -12.070 -6.508 -4.095 1.00 0.44 H new ATOM 0 HE3 LYS A 127 -11.530 -6.363 -2.434 1.00 0.44 H new ATOM 0 HZ1 LYS A 127 -12.219 -8.629 -2.936 1.00 1.55 H new ATOM 0 HZ2 LYS A 127 -13.247 -7.955 -1.765 1.00 1.55 H new ATOM 0 HZ3 LYS A 127 -13.771 -8.095 -3.374 1.00 1.55 H new ATOM 2071 N TYR A 128 -14.701 -0.127 -5.013 1.00 0.52 N ATOM 2072 CA TYR A 128 -14.962 1.313 -4.734 1.00 0.54 C ATOM 2073 C TYR A 128 -16.447 1.612 -4.946 1.00 0.91 C ATOM 2074 O TYR A 128 -16.864 2.753 -4.959 1.00 0.94 O ATOM 2075 CB TYR A 128 -14.127 2.175 -5.683 1.00 0.28 C ATOM 2076 CG TYR A 128 -14.376 3.635 -5.385 1.00 0.26 C ATOM 2077 CD1 TYR A 128 -13.845 4.214 -4.226 1.00 0.35 C ATOM 2078 CD2 TYR A 128 -15.138 4.409 -6.269 1.00 0.26 C ATOM 2079 CE1 TYR A 128 -14.077 5.567 -3.950 1.00 0.47 C ATOM 2080 CE2 TYR A 128 -15.369 5.762 -5.994 1.00 0.30 C ATOM 2081 CZ TYR A 128 -14.838 6.341 -4.834 1.00 0.44 C ATOM 2082 OH TYR A 128 -15.066 7.675 -4.562 1.00 0.57 O ATOM 0 H TYR A 128 -14.157 -0.314 -5.855 1.00 0.52 H new ATOM 0 HA TYR A 128 -14.690 1.539 -3.703 1.00 0.54 H new ATOM 0 HB2 TYR A 128 -13.068 1.944 -5.565 1.00 0.28 H new ATOM 0 HB3 TYR A 128 -14.388 1.954 -6.718 1.00 0.28 H new ATOM 0 HD1 TYR A 128 -13.257 3.617 -3.545 1.00 0.35 H new ATOM 0 HD2 TYR A 128 -15.547 3.962 -7.163 1.00 0.26 H new ATOM 0 HE1 TYR A 128 -13.669 6.013 -3.055 1.00 0.47 H new ATOM 0 HE2 TYR A 128 -15.956 6.359 -6.676 1.00 0.30 H new ATOM 0 HH TYR A 128 -15.611 8.066 -5.277 1.00 0.57 H new