USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 GLN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 10 THR OG1 : rot 93:sc= 0.0512 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -1.57 (180deg=-2.17!) USER MOD Single : A 17 THR OG1 : rot 88:sc= 1.02 USER MOD Single : A 19 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.697 USER MOD Single : A 24 GLN : amide:sc= -3.21! C(o=-3.2!,f=-13!) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= -0.779 (180deg=-2.11!) USER MOD Single : A 26 THR OG1 : rot -59:sc= 0.256 USER MOD Single : A 29 THR OG1 : rot -82:sc= 0.0291 USER MOD Single : A 32 THR OG1 : rot 31:sc= 0.604 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0214) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= 0.919 (180deg=0.575) USER MOD Single : A 48 THR OG1 : rot 59:sc= -0.273 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00449 USER MOD Single : A 60 TYR OH : rot 118:sc= 0.876 USER MOD Single : A 61 SER OG : rot 73:sc= 1 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-2.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.143 K(o=-0.14,f=-1) USER MOD Single : A 76 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.1!) USER MOD Single : A 78 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.016) USER MOD Single : A 80 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-7.4!) USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -4.49! (180deg=-5.31!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= -0.145 (180deg=-0.92) USER MOD Single : A 93 ASN : amide:sc= -4.87! K(o=-4.9!,f=-2.1) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.073) 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 110 GLN : amide:sc= -0.865 K(o=-0.86,f=0) USER MOD Single : A 111 SER OG : rot 140:sc= -0.144 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 115 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.15) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc=-0.00348 (180deg=-0.00348) USER MOD Single : A 122 THR OG1 : rot 84:sc= 0.671 USER MOD Single : A 124 MET CE :methyl -171:sc= -0.316 (180deg=-0.382) USER MOD Single : A 127 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.129) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -18.320 6.161 0.758 1.00 0.84 N ATOM 103 CA ASP A 8 -17.189 6.395 1.699 1.00 0.83 C ATOM 104 C ASP A 8 -16.243 7.440 1.108 1.00 0.79 C ATOM 105 O ASP A 8 -15.938 7.421 -0.068 1.00 0.90 O ATOM 106 CB ASP A 8 -16.429 5.085 1.921 1.00 0.81 C ATOM 107 CG ASP A 8 -16.323 4.803 3.420 1.00 1.20 C ATOM 108 OD1 ASP A 8 -15.479 5.409 4.059 1.00 0.82 O ATOM 109 OD2 ASP A 8 -17.088 3.984 3.904 1.00 2.27 O ATOM 0 HA ASP A 8 -17.578 6.754 2.652 1.00 0.83 H new ATOM 0 HB2 ASP A 8 -16.944 4.264 1.422 1.00 0.81 H new ATOM 0 HB3 ASP A 8 -15.434 5.151 1.482 1.00 0.81 H new ATOM 114 N ILE A 9 -15.775 8.355 1.912 1.00 0.66 N ATOM 115 CA ILE A 9 -14.849 9.400 1.395 1.00 0.63 C ATOM 116 C ILE A 9 -13.402 8.932 1.567 1.00 0.60 C ATOM 117 O ILE A 9 -12.496 9.438 0.936 1.00 0.57 O ATOM 118 CB ILE A 9 -15.060 10.700 2.173 1.00 0.68 C ATOM 119 CG1 ILE A 9 -14.082 11.763 1.665 1.00 0.60 C ATOM 120 CG2 ILE A 9 -14.810 10.451 3.662 1.00 0.79 C ATOM 121 CD1 ILE A 9 -14.791 13.117 1.594 1.00 0.95 C ATOM 0 H ILE A 9 -15.995 8.423 2.906 1.00 0.66 H new ATOM 0 HA ILE A 9 -15.052 9.572 0.338 1.00 0.63 H new ATOM 0 HB ILE A 9 -16.083 11.047 2.029 1.00 0.68 H new ATOM 0 HG12 ILE A 9 -13.220 11.826 2.329 1.00 0.60 H new ATOM 0 HG13 ILE A 9 -13.706 11.485 0.680 1.00 0.60 H new ATOM 0 HG21 ILE A 9 -14.960 11.378 4.216 1.00 0.79 H new ATOM 0 HG22 ILE A 9 -15.504 9.694 4.026 1.00 0.79 H new ATOM 0 HG23 ILE A 9 -13.787 10.104 3.806 1.00 0.79 H new ATOM 0 HD11 ILE A 9 -14.095 13.874 1.232 1.00 0.95 H new ATOM 0 HD12 ILE A 9 -15.639 13.048 0.912 1.00 0.95 H new ATOM 0 HD13 ILE A 9 -15.145 13.395 2.587 1.00 0.95 H new ATOM 133 N THR A 10 -13.178 7.967 2.418 1.00 0.62 N ATOM 134 CA THR A 10 -11.791 7.469 2.628 1.00 0.60 C ATOM 135 C THR A 10 -11.287 6.809 1.343 1.00 0.53 C ATOM 136 O THR A 10 -10.288 7.208 0.779 1.00 0.67 O ATOM 137 CB THR A 10 -11.783 6.444 3.765 1.00 0.61 C ATOM 138 OG1 THR A 10 -12.653 6.881 4.800 1.00 0.69 O ATOM 139 CG2 THR A 10 -10.363 6.303 4.316 1.00 0.62 C ATOM 0 H THR A 10 -13.895 7.503 2.975 1.00 0.62 H new ATOM 0 HA THR A 10 -11.140 8.304 2.888 1.00 0.60 H new ATOM 0 HB THR A 10 -12.122 5.479 3.388 1.00 0.61 H new ATOM 0 HG1 THR A 10 -13.542 6.491 4.667 1.00 0.69 H new ATOM 0 HG21 THR A 10 -10.358 5.573 5.126 1.00 0.62 H new ATOM 0 HG22 THR A 10 -9.696 5.969 3.521 1.00 0.62 H new ATOM 0 HG23 THR A 10 -10.022 7.267 4.694 1.00 0.62 H new ATOM 147 N LEU A 11 -11.970 5.801 0.875 1.00 0.36 N ATOM 148 CA LEU A 11 -11.527 5.120 -0.375 1.00 0.28 C ATOM 149 C LEU A 11 -11.238 6.173 -1.447 1.00 0.27 C ATOM 150 O LEU A 11 -10.610 5.897 -2.450 1.00 0.30 O ATOM 151 CB LEU A 11 -12.632 4.180 -0.869 1.00 0.26 C ATOM 152 CG LEU A 11 -12.995 3.167 0.225 1.00 0.29 C ATOM 153 CD1 LEU A 11 -14.385 2.595 -0.057 1.00 0.39 C ATOM 154 CD2 LEU A 11 -11.975 2.021 0.243 1.00 0.52 C ATOM 0 H LEU A 11 -12.814 5.420 1.303 1.00 0.36 H new ATOM 0 HA LEU A 11 -10.625 4.542 -0.174 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -13.514 4.758 -1.147 1.00 0.26 H new ATOM 0 HB3 LEU A 11 -12.300 3.655 -1.765 1.00 0.26 H new ATOM 0 HG LEU A 11 -12.987 3.670 1.192 1.00 0.29 H new ATOM 0 HD11 LEU A 11 -14.646 1.875 0.718 1.00 0.39 H new ATOM 0 HD12 LEU A 11 -15.117 3.403 -0.063 1.00 0.39 H new ATOM 0 HD13 LEU A 11 -14.384 2.099 -1.028 1.00 0.39 H new ATOM 0 HD21 LEU A 11 -12.242 1.308 1.023 1.00 0.52 H new ATOM 0 HD22 LEU A 11 -11.976 1.518 -0.724 1.00 0.52 H new ATOM 0 HD23 LEU A 11 -10.981 2.422 0.443 1.00 0.52 H new ATOM 166 N GLN A 12 -11.695 7.379 -1.242 1.00 0.24 N ATOM 167 CA GLN A 12 -11.448 8.450 -2.249 1.00 0.23 C ATOM 168 C GLN A 12 -10.062 9.057 -2.022 1.00 0.26 C ATOM 169 O GLN A 12 -9.157 8.874 -2.813 1.00 0.22 O ATOM 170 CB GLN A 12 -12.512 9.540 -2.104 1.00 0.27 C ATOM 171 CG GLN A 12 -12.590 10.353 -3.398 1.00 0.36 C ATOM 172 CD GLN A 12 -13.672 11.425 -3.262 1.00 0.68 C ATOM 173 OE1 GLN A 12 -14.777 11.255 -3.739 1.00 1.68 O ATOM 174 NE2 GLN A 12 -13.400 12.533 -2.627 1.00 0.96 N ATOM 0 H GLN A 12 -12.228 7.668 -0.422 1.00 0.24 H new ATOM 0 HA GLN A 12 -11.497 8.024 -3.251 1.00 0.23 H new ATOM 0 HB2 GLN A 12 -13.481 9.091 -1.886 1.00 0.27 H new ATOM 0 HB3 GLN A 12 -12.267 10.193 -1.266 1.00 0.27 H new ATOM 0 HG2 GLN A 12 -11.626 10.818 -3.607 1.00 0.36 H new ATOM 0 HG3 GLN A 12 -12.816 9.697 -4.239 1.00 0.36 H new ATOM 0 HE21 GLN A 12 -12.473 12.677 -2.226 1.00 0.96 H new ATOM 0 HE22 GLN A 12 -14.114 13.255 -2.532 1.00 0.96 H new ATOM 183 N GLU A 13 -9.886 9.777 -0.948 1.00 0.34 N ATOM 184 CA GLU A 13 -8.557 10.394 -0.676 1.00 0.39 C ATOM 185 C GLU A 13 -7.474 9.314 -0.729 1.00 0.39 C ATOM 186 O GLU A 13 -6.315 9.594 -0.965 1.00 0.41 O ATOM 187 CB GLU A 13 -8.568 11.046 0.710 1.00 0.48 C ATOM 188 CG GLU A 13 -8.545 9.963 1.792 1.00 0.61 C ATOM 189 CD GLU A 13 -7.103 9.717 2.244 1.00 0.54 C ATOM 190 OE1 GLU A 13 -6.204 9.982 1.464 1.00 1.69 O ATOM 191 OE2 GLU A 13 -6.924 9.266 3.364 1.00 0.87 O ATOM 0 H GLU A 13 -10.604 9.964 -0.248 1.00 0.34 H new ATOM 0 HA GLU A 13 -8.348 11.154 -1.429 1.00 0.39 H new ATOM 0 HB2 GLU A 13 -7.704 11.702 0.820 1.00 0.48 H new ATOM 0 HB3 GLU A 13 -9.457 11.667 0.823 1.00 0.48 H new ATOM 0 HG2 GLU A 13 -9.155 10.271 2.641 1.00 0.61 H new ATOM 0 HG3 GLU A 13 -8.978 9.040 1.406 1.00 0.61 H new ATOM 198 N ILE A 14 -7.843 8.080 -0.514 1.00 0.38 N ATOM 199 CA ILE A 14 -6.835 6.984 -0.553 1.00 0.40 C ATOM 200 C ILE A 14 -6.457 6.693 -2.007 1.00 0.36 C ATOM 201 O ILE A 14 -5.311 6.801 -2.394 1.00 0.38 O ATOM 202 CB ILE A 14 -7.426 5.725 0.083 1.00 0.45 C ATOM 203 CG1 ILE A 14 -7.448 5.885 1.605 1.00 0.58 C ATOM 204 CG2 ILE A 14 -6.565 4.514 -0.288 1.00 0.53 C ATOM 205 CD1 ILE A 14 -8.300 4.775 2.224 1.00 0.60 C ATOM 0 H ILE A 14 -8.798 7.785 -0.313 1.00 0.38 H new ATOM 0 HA ILE A 14 -5.946 7.286 0.000 1.00 0.40 H new ATOM 0 HB ILE A 14 -8.442 5.576 -0.283 1.00 0.45 H new ATOM 0 HG12 ILE A 14 -6.433 5.842 2.000 1.00 0.58 H new ATOM 0 HG13 ILE A 14 -7.853 6.861 1.873 1.00 0.58 H new ATOM 0 HG21 ILE A 14 -6.985 3.616 0.165 1.00 0.53 H new ATOM 0 HG22 ILE A 14 -6.546 4.399 -1.372 1.00 0.53 H new ATOM 0 HG23 ILE A 14 -5.549 4.664 0.078 1.00 0.53 H new ATOM 0 HD11 ILE A 14 -8.315 4.890 3.308 1.00 0.60 H new ATOM 0 HD12 ILE A 14 -9.317 4.839 1.838 1.00 0.60 H new ATOM 0 HD13 ILE A 14 -7.875 3.804 1.968 1.00 0.60 H new ATOM 217 N ILE A 15 -7.413 6.323 -2.815 1.00 0.33 N ATOM 218 CA ILE A 15 -7.109 6.025 -4.242 1.00 0.34 C ATOM 219 C ILE A 15 -6.244 7.146 -4.823 1.00 0.31 C ATOM 220 O ILE A 15 -5.222 6.901 -5.433 1.00 0.34 O ATOM 221 CB ILE A 15 -8.415 5.928 -5.033 1.00 0.35 C ATOM 222 CG1 ILE A 15 -9.129 4.621 -4.676 1.00 0.39 C ATOM 223 CG2 ILE A 15 -8.108 5.946 -6.532 1.00 0.38 C ATOM 224 CD1 ILE A 15 -10.579 4.684 -5.159 1.00 0.37 C ATOM 0 H ILE A 15 -8.391 6.214 -2.548 1.00 0.33 H new ATOM 0 HA ILE A 15 -6.573 5.079 -4.309 1.00 0.34 H new ATOM 0 HB ILE A 15 -9.055 6.775 -4.783 1.00 0.35 H new ATOM 0 HG12 ILE A 15 -8.617 3.777 -5.138 1.00 0.39 H new ATOM 0 HG13 ILE A 15 -9.100 4.461 -3.598 1.00 0.39 H new ATOM 0 HG21 ILE A 15 -9.039 5.877 -7.095 1.00 0.38 H new ATOM 0 HG22 ILE A 15 -7.597 6.874 -6.788 1.00 0.38 H new ATOM 0 HG23 ILE A 15 -7.469 5.099 -6.783 1.00 0.38 H new ATOM 0 HD11 ILE A 15 -11.088 3.754 -4.905 1.00 0.37 H new ATOM 0 HD12 ILE A 15 -11.087 5.519 -4.677 1.00 0.37 H new ATOM 0 HD13 ILE A 15 -10.597 4.824 -6.240 1.00 0.37 H new ATOM 236 N LYS A 16 -6.645 8.373 -4.639 1.00 0.28 N ATOM 237 CA LYS A 16 -5.845 9.508 -5.179 1.00 0.27 C ATOM 238 C LYS A 16 -4.415 9.425 -4.640 1.00 0.27 C ATOM 239 O LYS A 16 -3.457 9.600 -5.366 1.00 0.29 O ATOM 240 CB LYS A 16 -6.479 10.831 -4.745 1.00 0.30 C ATOM 241 CG LYS A 16 -6.476 11.810 -5.922 1.00 0.69 C ATOM 242 CD LYS A 16 -6.743 13.226 -5.409 1.00 1.05 C ATOM 243 CE LYS A 16 -8.029 13.237 -4.583 1.00 0.52 C ATOM 244 NZ LYS A 16 -9.065 12.409 -5.265 1.00 1.28 N ATOM 0 H LYS A 16 -7.493 8.639 -4.138 1.00 0.28 H new ATOM 0 HA LYS A 16 -5.826 9.455 -6.268 1.00 0.27 H new ATOM 0 HB2 LYS A 16 -7.500 10.662 -4.402 1.00 0.30 H new ATOM 0 HB3 LYS A 16 -5.926 11.253 -3.906 1.00 0.30 H new ATOM 0 HG2 LYS A 16 -5.516 11.773 -6.437 1.00 0.69 H new ATOM 0 HG3 LYS A 16 -7.238 11.525 -6.648 1.00 0.69 H new ATOM 0 HD2 LYS A 16 -5.905 13.568 -4.801 1.00 1.05 H new ATOM 0 HD3 LYS A 16 -6.831 13.917 -6.247 1.00 1.05 H new ATOM 0 HE2 LYS A 16 -7.836 12.846 -3.584 1.00 0.52 H new ATOM 0 HE3 LYS A 16 -8.387 14.259 -4.462 1.00 0.52 H new ATOM 0 HZ1 LYS A 16 -10.009 12.795 -5.059 1.00 1.28 H new ATOM 0 HZ2 LYS A 16 -8.901 12.424 -6.292 1.00 1.28 H new ATOM 0 HZ3 LYS A 16 -9.009 11.429 -4.920 1.00 1.28 H new ATOM 258 N THR A 17 -4.265 9.159 -3.372 1.00 0.33 N ATOM 259 CA THR A 17 -2.897 9.065 -2.787 1.00 0.39 C ATOM 260 C THR A 17 -2.070 8.057 -3.588 1.00 0.38 C ATOM 261 O THR A 17 -0.904 8.271 -3.857 1.00 0.44 O ATOM 262 CB THR A 17 -2.994 8.601 -1.331 1.00 0.43 C ATOM 263 OG1 THR A 17 -3.916 9.429 -0.634 1.00 0.51 O ATOM 264 CG2 THR A 17 -1.619 8.697 -0.671 1.00 0.52 C ATOM 0 H THR A 17 -5.030 9.003 -2.715 1.00 0.33 H new ATOM 0 HA THR A 17 -2.418 10.043 -2.825 1.00 0.39 H new ATOM 0 HB THR A 17 -3.337 7.567 -1.300 1.00 0.43 H new ATOM 0 HG1 THR A 17 -4.820 9.064 -0.730 1.00 0.51 H new ATOM 0 HG21 THR A 17 -1.689 8.367 0.365 1.00 0.52 H new ATOM 0 HG22 THR A 17 -0.913 8.063 -1.207 1.00 0.52 H new ATOM 0 HG23 THR A 17 -1.273 9.730 -0.700 1.00 0.52 H new ATOM 272 N LEU A 18 -2.663 6.960 -3.973 1.00 0.32 N ATOM 273 CA LEU A 18 -1.909 5.942 -4.757 1.00 0.32 C ATOM 274 C LEU A 18 -1.433 6.560 -6.073 1.00 0.30 C ATOM 275 O LEU A 18 -0.302 6.387 -6.479 1.00 0.36 O ATOM 276 CB LEU A 18 -2.820 4.749 -5.054 1.00 0.29 C ATOM 277 CG LEU A 18 -3.449 4.248 -3.753 1.00 0.48 C ATOM 278 CD1 LEU A 18 -4.353 3.050 -4.050 1.00 0.35 C ATOM 279 CD2 LEU A 18 -2.344 3.823 -2.783 1.00 0.82 C ATOM 0 H LEU A 18 -3.636 6.725 -3.779 1.00 0.32 H new ATOM 0 HA LEU A 18 -1.047 5.606 -4.181 1.00 0.32 H new ATOM 0 HB2 LEU A 18 -3.599 5.040 -5.758 1.00 0.29 H new ATOM 0 HB3 LEU A 18 -2.248 3.950 -5.525 1.00 0.29 H new ATOM 0 HG LEU A 18 -4.040 5.047 -3.305 1.00 0.48 H new ATOM 0 HD11 LEU A 18 -4.801 2.693 -3.122 1.00 0.35 H new ATOM 0 HD12 LEU A 18 -5.140 3.351 -4.741 1.00 0.35 H new ATOM 0 HD13 LEU A 18 -3.763 2.251 -4.498 1.00 0.35 H new ATOM 0 HD21 LEU A 18 -2.792 3.466 -1.856 1.00 0.82 H new ATOM 0 HD22 LEU A 18 -1.753 3.025 -3.232 1.00 0.82 H new ATOM 0 HD23 LEU A 18 -1.699 4.676 -2.570 1.00 0.82 H new ATOM 291 N ASN A 19 -2.290 7.281 -6.745 1.00 0.25 N ATOM 292 CA ASN A 19 -1.886 7.909 -8.033 1.00 0.25 C ATOM 293 C ASN A 19 -0.619 8.741 -7.821 1.00 0.23 C ATOM 294 O ASN A 19 0.280 8.739 -8.637 1.00 0.25 O ATOM 295 CB ASN A 19 -3.013 8.815 -8.534 1.00 0.25 C ATOM 296 CG ASN A 19 -4.170 7.955 -9.045 1.00 0.28 C ATOM 297 OD1 ASN A 19 -4.510 6.955 -8.446 1.00 1.09 O ATOM 298 ND2 ASN A 19 -4.795 8.306 -10.137 1.00 0.95 N ATOM 0 H ASN A 19 -3.252 7.461 -6.457 1.00 0.25 H new ATOM 0 HA ASN A 19 -1.690 7.131 -8.770 1.00 0.25 H new ATOM 0 HB2 ASN A 19 -3.357 9.465 -7.729 1.00 0.25 H new ATOM 0 HB3 ASN A 19 -2.647 9.462 -9.331 1.00 0.25 H new ATOM 0 HD21 ASN A 19 -5.568 7.740 -10.486 1.00 0.95 H new ATOM 0 HD22 ASN A 19 -4.510 9.146 -10.640 1.00 0.95 H new ATOM 305 N SER A 20 -0.541 9.452 -6.730 1.00 0.20 N ATOM 306 CA SER A 20 0.669 10.281 -6.467 1.00 0.17 C ATOM 307 C SER A 20 1.898 9.374 -6.380 1.00 0.19 C ATOM 308 O SER A 20 2.925 9.646 -6.970 1.00 0.21 O ATOM 309 CB SER A 20 0.496 11.034 -5.148 1.00 0.17 C ATOM 310 OG SER A 20 -0.667 11.849 -5.222 1.00 0.28 O ATOM 0 H SER A 20 -1.262 9.495 -6.010 1.00 0.20 H new ATOM 0 HA SER A 20 0.802 10.997 -7.278 1.00 0.17 H new ATOM 0 HB2 SER A 20 0.408 10.328 -4.322 1.00 0.17 H new ATOM 0 HB3 SER A 20 1.373 11.649 -4.949 1.00 0.17 H new ATOM 0 HG SER A 20 -0.782 12.332 -4.377 1.00 0.28 H new ATOM 316 N LEU A 21 1.802 8.299 -5.648 1.00 0.28 N ATOM 317 CA LEU A 21 2.965 7.375 -5.522 1.00 0.31 C ATOM 318 C LEU A 21 3.343 6.838 -6.903 1.00 0.33 C ATOM 319 O LEU A 21 4.502 6.799 -7.268 1.00 0.32 O ATOM 320 CB LEU A 21 2.590 6.208 -4.606 1.00 0.39 C ATOM 321 CG LEU A 21 2.988 6.536 -3.165 1.00 0.37 C ATOM 322 CD1 LEU A 21 2.195 5.652 -2.202 1.00 0.52 C ATOM 323 CD2 LEU A 21 4.486 6.276 -2.970 1.00 0.38 C ATOM 0 H LEU A 21 0.968 8.020 -5.131 1.00 0.28 H new ATOM 0 HA LEU A 21 3.813 7.913 -5.098 1.00 0.31 H new ATOM 0 HB2 LEU A 21 1.518 6.018 -4.663 1.00 0.39 H new ATOM 0 HB3 LEU A 21 3.093 5.299 -4.935 1.00 0.39 H new ATOM 0 HG LEU A 21 2.771 7.585 -2.964 1.00 0.37 H new ATOM 0 HD11 LEU A 21 2.479 5.886 -1.176 1.00 0.52 H new ATOM 0 HD12 LEU A 21 1.129 5.835 -2.334 1.00 0.52 H new ATOM 0 HD13 LEU A 21 2.411 4.604 -2.408 1.00 0.52 H new ATOM 0 HD21 LEU A 21 4.765 6.511 -1.943 1.00 0.38 H new ATOM 0 HD22 LEU A 21 4.703 5.228 -3.174 1.00 0.38 H new ATOM 0 HD23 LEU A 21 5.056 6.905 -3.654 1.00 0.38 H new ATOM 335 N THR A 22 2.377 6.422 -7.676 1.00 0.38 N ATOM 336 CA THR A 22 2.685 5.887 -9.032 1.00 0.42 C ATOM 337 C THR A 22 3.520 6.909 -9.806 1.00 0.39 C ATOM 338 O THR A 22 4.404 6.557 -10.562 1.00 0.42 O ATOM 339 CB THR A 22 1.380 5.617 -9.785 1.00 0.47 C ATOM 340 OG1 THR A 22 0.698 6.845 -9.999 1.00 0.28 O ATOM 341 CG2 THR A 22 0.498 4.678 -8.960 1.00 0.62 C ATOM 0 H THR A 22 1.388 6.430 -7.427 1.00 0.38 H new ATOM 0 HA THR A 22 3.246 4.957 -8.936 1.00 0.42 H new ATOM 0 HB THR A 22 1.602 5.152 -10.745 1.00 0.47 H new ATOM 0 HG1 THR A 22 0.737 7.387 -9.184 1.00 0.28 H new ATOM 0 HG21 THR A 22 -0.431 4.486 -9.497 1.00 0.62 H new ATOM 0 HG22 THR A 22 1.023 3.737 -8.795 1.00 0.62 H new ATOM 0 HG23 THR A 22 0.273 5.141 -7.999 1.00 0.62 H new ATOM 349 N GLU A 23 3.247 8.172 -9.624 1.00 0.34 N ATOM 350 CA GLU A 23 4.025 9.214 -10.350 1.00 0.32 C ATOM 351 C GLU A 23 5.492 9.148 -9.918 1.00 0.31 C ATOM 352 O GLU A 23 6.386 9.493 -10.666 1.00 0.31 O ATOM 353 CB GLU A 23 3.459 10.597 -10.021 1.00 0.25 C ATOM 354 CG GLU A 23 2.711 11.145 -11.237 1.00 0.60 C ATOM 355 CD GLU A 23 2.010 12.452 -10.860 1.00 0.46 C ATOM 356 OE1 GLU A 23 2.393 13.039 -9.863 1.00 1.41 O ATOM 357 OE2 GLU A 23 1.102 12.842 -11.576 1.00 1.17 O ATOM 0 H GLU A 23 2.519 8.527 -9.004 1.00 0.34 H new ATOM 0 HA GLU A 23 3.953 9.038 -11.423 1.00 0.32 H new ATOM 0 HB2 GLU A 23 2.786 10.532 -9.166 1.00 0.25 H new ATOM 0 HB3 GLU A 23 4.266 11.275 -9.741 1.00 0.25 H new ATOM 0 HG2 GLU A 23 3.407 11.317 -12.058 1.00 0.60 H new ATOM 0 HG3 GLU A 23 1.980 10.416 -11.586 1.00 0.60 H new ATOM 364 N GLN A 24 5.746 8.706 -8.717 1.00 0.30 N ATOM 365 CA GLN A 24 7.154 8.618 -8.238 1.00 0.29 C ATOM 366 C GLN A 24 7.704 7.219 -8.526 1.00 0.32 C ATOM 367 O GLN A 24 7.140 6.225 -8.111 1.00 0.55 O ATOM 368 CB GLN A 24 7.198 8.882 -6.731 1.00 0.26 C ATOM 369 CG GLN A 24 7.780 10.273 -6.474 1.00 0.47 C ATOM 370 CD GLN A 24 6.909 11.326 -7.161 1.00 1.30 C ATOM 371 OE1 GLN A 24 5.959 10.995 -7.842 1.00 2.73 O ATOM 372 NE2 GLN A 24 7.195 12.591 -7.012 1.00 1.45 N ATOM 0 H GLN A 24 5.040 8.402 -8.047 1.00 0.30 H new ATOM 0 HA GLN A 24 7.761 9.361 -8.755 1.00 0.29 H new ATOM 0 HB2 GLN A 24 6.195 8.812 -6.309 1.00 0.26 H new ATOM 0 HB3 GLN A 24 7.806 8.125 -6.236 1.00 0.26 H new ATOM 0 HG2 GLN A 24 7.826 10.467 -5.402 1.00 0.47 H new ATOM 0 HG3 GLN A 24 8.801 10.327 -6.852 1.00 0.47 H new ATOM 0 HE21 GLN A 24 7.992 12.870 -6.440 1.00 1.45 H new ATOM 0 HE22 GLN A 24 6.621 13.301 -7.467 1.00 1.45 H new ATOM 381 N LYS A 25 8.801 7.139 -9.235 1.00 0.48 N ATOM 382 CA LYS A 25 9.398 5.809 -9.560 1.00 0.51 C ATOM 383 C LYS A 25 10.908 5.860 -9.317 1.00 0.62 C ATOM 384 O LYS A 25 11.684 6.110 -10.218 1.00 1.11 O ATOM 385 CB LYS A 25 9.131 5.475 -11.030 1.00 0.73 C ATOM 386 CG LYS A 25 7.642 5.185 -11.229 1.00 0.85 C ATOM 387 CD LYS A 25 7.102 6.045 -12.372 1.00 1.20 C ATOM 388 CE LYS A 25 7.862 5.721 -13.660 1.00 0.54 C ATOM 389 NZ LYS A 25 8.824 6.819 -13.958 1.00 1.91 N ATOM 0 H LYS A 25 9.311 7.942 -9.604 1.00 0.48 H new ATOM 0 HA LYS A 25 8.950 5.043 -8.926 1.00 0.51 H new ATOM 0 HB2 LYS A 25 9.437 6.307 -11.664 1.00 0.73 H new ATOM 0 HB3 LYS A 25 9.723 4.611 -11.330 1.00 0.73 H new ATOM 0 HG2 LYS A 25 7.493 4.129 -11.453 1.00 0.85 H new ATOM 0 HG3 LYS A 25 7.094 5.396 -10.311 1.00 0.85 H new ATOM 0 HD2 LYS A 25 6.037 5.858 -12.509 1.00 1.20 H new ATOM 0 HD3 LYS A 25 7.212 7.102 -12.129 1.00 1.20 H new ATOM 0 HE2 LYS A 25 8.394 4.776 -13.553 1.00 0.54 H new ATOM 0 HE3 LYS A 25 7.163 5.601 -14.487 1.00 0.54 H new ATOM 0 HZ1 LYS A 25 8.780 7.054 -14.970 1.00 1.91 H new ATOM 0 HZ2 LYS A 25 8.577 7.659 -13.397 1.00 1.91 H new ATOM 0 HZ3 LYS A 25 9.787 6.512 -13.715 1.00 1.91 H new ATOM 403 N THR A 26 11.332 5.623 -8.105 1.00 0.41 N ATOM 404 CA THR A 26 12.792 5.658 -7.805 1.00 0.62 C ATOM 405 C THR A 26 13.374 4.249 -7.940 1.00 0.60 C ATOM 406 O THR A 26 12.843 3.412 -8.644 1.00 0.76 O ATOM 407 CB THR A 26 13.006 6.165 -6.377 1.00 0.74 C ATOM 408 OG1 THR A 26 12.895 5.077 -5.470 1.00 0.77 O ATOM 409 CG2 THR A 26 11.953 7.222 -6.043 1.00 0.57 C ATOM 0 H THR A 26 10.731 5.407 -7.310 1.00 0.41 H new ATOM 0 HA THR A 26 13.292 6.326 -8.506 1.00 0.62 H new ATOM 0 HB THR A 26 13.998 6.609 -6.294 1.00 0.74 H new ATOM 0 HG1 THR A 26 12.008 4.669 -5.556 1.00 0.77 H new ATOM 0 HG21 THR A 26 12.108 7.581 -5.026 1.00 0.57 H new ATOM 0 HG22 THR A 26 12.041 8.056 -6.739 1.00 0.57 H new ATOM 0 HG23 THR A 26 10.958 6.784 -6.126 1.00 0.57 H new ATOM 417 N LEU A 27 14.459 3.980 -7.268 1.00 0.46 N ATOM 418 CA LEU A 27 15.072 2.623 -7.357 1.00 0.44 C ATOM 419 C LEU A 27 14.487 1.724 -6.264 1.00 0.42 C ATOM 420 O LEU A 27 14.900 0.596 -6.089 1.00 0.55 O ATOM 421 CB LEU A 27 16.592 2.720 -7.180 1.00 0.51 C ATOM 422 CG LEU A 27 16.940 3.850 -6.205 1.00 1.43 C ATOM 423 CD1 LEU A 27 16.213 3.631 -4.876 1.00 2.44 C ATOM 424 CD2 LEU A 27 18.451 3.852 -5.957 1.00 0.78 C ATOM 0 H LEU A 27 14.948 4.639 -6.662 1.00 0.46 H new ATOM 0 HA LEU A 27 14.853 2.198 -8.337 1.00 0.44 H new ATOM 0 HB2 LEU A 27 16.983 1.774 -6.806 1.00 0.51 H new ATOM 0 HB3 LEU A 27 17.067 2.902 -8.144 1.00 0.51 H new ATOM 0 HG LEU A 27 16.631 4.804 -6.633 1.00 1.43 H new ATOM 0 HD11 LEU A 27 16.464 4.437 -4.187 1.00 2.44 H new ATOM 0 HD12 LEU A 27 15.137 3.622 -5.047 1.00 2.44 H new ATOM 0 HD13 LEU A 27 16.520 2.677 -4.446 1.00 2.44 H new ATOM 0 HD21 LEU A 27 18.705 4.654 -5.264 1.00 0.78 H new ATOM 0 HD22 LEU A 27 18.751 2.895 -5.530 1.00 0.78 H new ATOM 0 HD23 LEU A 27 18.974 4.008 -6.900 1.00 0.78 H new ATOM 436 N CYS A 28 13.528 2.216 -5.528 1.00 0.55 N ATOM 437 CA CYS A 28 12.919 1.387 -4.450 1.00 0.50 C ATOM 438 C CYS A 28 11.773 0.558 -5.033 1.00 0.49 C ATOM 439 O CYS A 28 11.114 -0.185 -4.333 1.00 0.55 O ATOM 440 CB CYS A 28 12.377 2.302 -3.348 1.00 0.46 C ATOM 441 SG CYS A 28 12.710 1.564 -1.728 1.00 0.40 S ATOM 0 H CYS A 28 13.141 3.154 -5.626 1.00 0.55 H new ATOM 0 HA CYS A 28 13.674 0.722 -4.031 1.00 0.50 H new ATOM 0 HB2 CYS A 28 12.844 3.284 -3.414 1.00 0.46 H new ATOM 0 HB3 CYS A 28 11.305 2.450 -3.478 1.00 0.46 H new ATOM 446 N THR A 29 11.533 0.677 -6.310 1.00 0.46 N ATOM 447 CA THR A 29 10.432 -0.105 -6.940 1.00 0.48 C ATOM 448 C THR A 29 10.996 -1.404 -7.522 1.00 0.57 C ATOM 449 O THR A 29 10.261 -2.282 -7.929 1.00 0.76 O ATOM 450 CB THR A 29 9.796 0.721 -8.061 1.00 0.63 C ATOM 451 OG1 THR A 29 10.751 0.929 -9.092 1.00 0.76 O ATOM 452 CG2 THR A 29 9.340 2.071 -7.506 1.00 0.57 C ATOM 0 H THR A 29 12.053 1.283 -6.945 1.00 0.46 H new ATOM 0 HA THR A 29 9.678 -0.340 -6.189 1.00 0.48 H new ATOM 0 HB THR A 29 8.935 0.187 -8.464 1.00 0.63 H new ATOM 0 HG1 THR A 29 11.332 1.681 -8.853 1.00 0.76 H new ATOM 0 HG21 THR A 29 8.887 2.659 -8.305 1.00 0.57 H new ATOM 0 HG22 THR A 29 8.608 1.910 -6.714 1.00 0.57 H new ATOM 0 HG23 THR A 29 10.199 2.608 -7.103 1.00 0.57 H new ATOM 460 N GLU A 30 12.293 -1.532 -7.563 1.00 0.48 N ATOM 461 CA GLU A 30 12.902 -2.772 -8.118 1.00 0.57 C ATOM 462 C GLU A 30 12.986 -3.836 -7.022 1.00 0.46 C ATOM 463 O GLU A 30 13.475 -4.927 -7.238 1.00 0.49 O ATOM 464 CB GLU A 30 14.309 -2.463 -8.636 1.00 0.74 C ATOM 465 CG GLU A 30 14.210 -1.737 -9.979 1.00 1.11 C ATOM 466 CD GLU A 30 14.393 -2.742 -11.118 1.00 1.41 C ATOM 467 OE1 GLU A 30 15.354 -3.493 -11.071 1.00 1.06 O ATOM 468 OE2 GLU A 30 13.568 -2.745 -12.017 1.00 2.62 O ATOM 0 H GLU A 30 12.958 -0.831 -7.236 1.00 0.48 H new ATOM 0 HA GLU A 30 12.286 -3.142 -8.937 1.00 0.57 H new ATOM 0 HB2 GLU A 30 14.846 -1.846 -7.916 1.00 0.74 H new ATOM 0 HB3 GLU A 30 14.877 -3.386 -8.751 1.00 0.74 H new ATOM 0 HG2 GLU A 30 13.242 -1.244 -10.067 1.00 1.11 H new ATOM 0 HG3 GLU A 30 14.971 -0.959 -10.041 1.00 1.11 H new ATOM 475 N LEU A 31 12.511 -3.528 -5.846 1.00 0.38 N ATOM 476 CA LEU A 31 12.563 -4.523 -4.738 1.00 0.32 C ATOM 477 C LEU A 31 11.335 -5.433 -4.811 1.00 0.20 C ATOM 478 O LEU A 31 10.239 -4.990 -5.092 1.00 0.31 O ATOM 479 CB LEU A 31 12.575 -3.789 -3.394 1.00 0.30 C ATOM 480 CG LEU A 31 13.650 -2.701 -3.412 1.00 0.39 C ATOM 481 CD1 LEU A 31 13.717 -2.027 -2.042 1.00 0.42 C ATOM 482 CD2 LEU A 31 15.008 -3.329 -3.736 1.00 0.60 C ATOM 0 H LEU A 31 12.090 -2.631 -5.605 1.00 0.38 H new ATOM 0 HA LEU A 31 13.467 -5.125 -4.832 1.00 0.32 H new ATOM 0 HB2 LEU A 31 11.598 -3.346 -3.202 1.00 0.30 H new ATOM 0 HB3 LEU A 31 12.770 -4.493 -2.585 1.00 0.30 H new ATOM 0 HG LEU A 31 13.401 -1.959 -4.171 1.00 0.39 H new ATOM 0 HD11 LEU A 31 14.483 -1.252 -2.055 1.00 0.42 H new ATOM 0 HD12 LEU A 31 12.751 -1.579 -1.809 1.00 0.42 H new ATOM 0 HD13 LEU A 31 13.965 -2.769 -1.283 1.00 0.42 H new ATOM 0 HD21 LEU A 31 15.774 -2.553 -3.749 1.00 0.60 H new ATOM 0 HD22 LEU A 31 15.256 -4.071 -2.977 1.00 0.60 H new ATOM 0 HD23 LEU A 31 14.963 -3.810 -4.713 1.00 0.60 H new ATOM 494 N THR A 32 11.509 -6.701 -4.559 1.00 0.35 N ATOM 495 CA THR A 32 10.352 -7.638 -4.614 1.00 0.26 C ATOM 496 C THR A 32 9.734 -7.769 -3.221 1.00 0.34 C ATOM 497 O THR A 32 10.356 -8.261 -2.300 1.00 0.45 O ATOM 498 CB THR A 32 10.830 -9.012 -5.092 1.00 0.29 C ATOM 499 OG1 THR A 32 11.838 -9.492 -4.213 1.00 0.33 O ATOM 500 CG2 THR A 32 11.398 -8.892 -6.507 1.00 0.32 C ATOM 0 H THR A 32 12.403 -7.129 -4.317 1.00 0.35 H new ATOM 0 HA THR A 32 9.605 -7.252 -5.307 1.00 0.26 H new ATOM 0 HB THR A 32 9.991 -9.708 -5.098 1.00 0.29 H new ATOM 0 HG1 THR A 32 11.676 -9.146 -3.310 1.00 0.33 H new ATOM 0 HG21 THR A 32 11.738 -9.870 -6.847 1.00 0.32 H new ATOM 0 HG22 THR A 32 10.624 -8.523 -7.180 1.00 0.32 H new ATOM 0 HG23 THR A 32 12.238 -8.197 -6.504 1.00 0.32 H new ATOM 508 N VAL A 33 8.514 -7.333 -3.060 1.00 0.34 N ATOM 509 CA VAL A 33 7.858 -7.432 -1.725 1.00 0.48 C ATOM 510 C VAL A 33 7.055 -8.732 -1.648 1.00 0.45 C ATOM 511 O VAL A 33 7.086 -9.547 -2.549 1.00 0.45 O ATOM 512 CB VAL A 33 6.920 -6.240 -1.528 1.00 0.57 C ATOM 513 CG1 VAL A 33 7.675 -4.943 -1.818 1.00 0.66 C ATOM 514 CG2 VAL A 33 5.732 -6.363 -2.485 1.00 0.56 C ATOM 0 H VAL A 33 7.944 -6.913 -3.794 1.00 0.34 H new ATOM 0 HA VAL A 33 8.619 -7.428 -0.944 1.00 0.48 H new ATOM 0 HB VAL A 33 6.559 -6.228 -0.499 1.00 0.57 H new ATOM 0 HG11 VAL A 33 7.006 -4.094 -1.678 1.00 0.66 H new ATOM 0 HG12 VAL A 33 8.522 -4.855 -1.137 1.00 0.66 H new ATOM 0 HG13 VAL A 33 8.036 -4.954 -2.846 1.00 0.66 H new ATOM 0 HG21 VAL A 33 5.063 -5.514 -2.345 1.00 0.56 H new ATOM 0 HG22 VAL A 33 6.093 -6.375 -3.513 1.00 0.56 H new ATOM 0 HG23 VAL A 33 5.193 -7.288 -2.279 1.00 0.56 H new ATOM 524 N THR A 34 6.335 -8.933 -0.578 1.00 0.43 N ATOM 525 CA THR A 34 5.531 -10.181 -0.445 1.00 0.41 C ATOM 526 C THR A 34 4.158 -9.975 -1.090 1.00 0.42 C ATOM 527 O THR A 34 3.509 -8.969 -0.882 1.00 0.52 O ATOM 528 CB THR A 34 5.351 -10.516 1.038 1.00 0.42 C ATOM 529 OG1 THR A 34 6.628 -10.665 1.644 1.00 0.53 O ATOM 530 CG2 THR A 34 4.563 -11.819 1.177 1.00 0.48 C ATOM 0 H THR A 34 6.269 -8.288 0.209 1.00 0.43 H new ATOM 0 HA THR A 34 6.048 -11.001 -0.944 1.00 0.41 H new ATOM 0 HB THR A 34 4.805 -9.711 1.530 1.00 0.42 H new ATOM 0 HG1 THR A 34 6.516 -10.878 2.594 1.00 0.53 H new ATOM 0 HG21 THR A 34 4.436 -12.056 2.233 1.00 0.48 H new ATOM 0 HG22 THR A 34 3.585 -11.704 0.710 1.00 0.48 H new ATOM 0 HG23 THR A 34 5.106 -12.627 0.687 1.00 0.48 H new ATOM 538 N ASP A 35 3.713 -10.918 -1.873 1.00 0.40 N ATOM 539 CA ASP A 35 2.384 -10.775 -2.532 1.00 0.40 C ATOM 540 C ASP A 35 1.283 -11.181 -1.550 1.00 0.42 C ATOM 541 O ASP A 35 1.548 -11.567 -0.429 1.00 0.90 O ATOM 542 CB ASP A 35 2.326 -11.679 -3.765 1.00 0.39 C ATOM 543 CG ASP A 35 1.215 -11.198 -4.699 1.00 0.42 C ATOM 544 OD1 ASP A 35 1.162 -10.008 -4.963 1.00 1.40 O ATOM 545 OD2 ASP A 35 0.434 -12.028 -5.134 1.00 0.82 O ATOM 0 H ASP A 35 4.212 -11.782 -2.085 1.00 0.40 H new ATOM 0 HA ASP A 35 2.238 -9.738 -2.835 1.00 0.40 H new ATOM 0 HB2 ASP A 35 3.284 -11.665 -4.285 1.00 0.39 H new ATOM 0 HB3 ASP A 35 2.142 -12.710 -3.464 1.00 0.39 H new ATOM 550 N ILE A 36 0.047 -11.097 -1.963 1.00 0.28 N ATOM 551 CA ILE A 36 -1.070 -11.477 -1.054 1.00 0.23 C ATOM 552 C ILE A 36 -2.214 -12.079 -1.875 1.00 0.32 C ATOM 553 O ILE A 36 -2.900 -12.979 -1.433 1.00 0.41 O ATOM 554 CB ILE A 36 -1.571 -10.236 -0.314 1.00 0.22 C ATOM 555 CG1 ILE A 36 -2.073 -9.206 -1.330 1.00 0.34 C ATOM 556 CG2 ILE A 36 -0.428 -9.630 0.502 1.00 0.16 C ATOM 557 CD1 ILE A 36 -2.389 -7.892 -0.612 1.00 0.34 C ATOM 0 H ILE A 36 -0.236 -10.782 -2.891 1.00 0.28 H new ATOM 0 HA ILE A 36 -0.716 -12.212 -0.331 1.00 0.23 H new ATOM 0 HB ILE A 36 -2.385 -10.516 0.355 1.00 0.22 H new ATOM 0 HG12 ILE A 36 -1.318 -9.040 -2.099 1.00 0.34 H new ATOM 0 HG13 ILE A 36 -2.964 -9.581 -1.834 1.00 0.34 H new ATOM 0 HG21 ILE A 36 -0.786 -8.746 1.029 1.00 0.16 H new ATOM 0 HG22 ILE A 36 -0.069 -10.362 1.225 1.00 0.16 H new ATOM 0 HG23 ILE A 36 0.387 -9.349 -0.166 1.00 0.16 H new ATOM 0 HD11 ILE A 36 -2.746 -7.159 -1.335 1.00 0.34 H new ATOM 0 HD12 ILE A 36 -3.159 -8.064 0.140 1.00 0.34 H new ATOM 0 HD13 ILE A 36 -1.487 -7.515 -0.129 1.00 0.34 H new ATOM 569 N PHE A 37 -2.423 -11.589 -3.065 1.00 0.30 N ATOM 570 CA PHE A 37 -3.522 -12.132 -3.913 1.00 0.39 C ATOM 571 C PHE A 37 -3.109 -13.497 -4.470 1.00 0.42 C ATOM 572 O PHE A 37 -3.929 -14.261 -4.938 1.00 0.55 O ATOM 573 CB PHE A 37 -3.798 -11.171 -5.069 1.00 0.43 C ATOM 574 CG PHE A 37 -3.977 -9.772 -4.530 1.00 0.41 C ATOM 575 CD1 PHE A 37 -5.186 -9.403 -3.930 1.00 0.47 C ATOM 576 CD2 PHE A 37 -2.933 -8.844 -4.630 1.00 0.36 C ATOM 577 CE1 PHE A 37 -5.352 -8.106 -3.430 1.00 0.49 C ATOM 578 CE2 PHE A 37 -3.098 -7.547 -4.130 1.00 0.37 C ATOM 579 CZ PHE A 37 -4.308 -7.178 -3.530 1.00 0.44 C ATOM 0 H PHE A 37 -1.880 -10.836 -3.488 1.00 0.30 H new ATOM 0 HA PHE A 37 -4.424 -12.243 -3.311 1.00 0.39 H new ATOM 0 HB2 PHE A 37 -2.973 -11.195 -5.781 1.00 0.43 H new ATOM 0 HB3 PHE A 37 -4.693 -11.482 -5.608 1.00 0.43 H new ATOM 0 HD1 PHE A 37 -5.991 -10.119 -3.853 1.00 0.47 H new ATOM 0 HD2 PHE A 37 -2.000 -9.129 -5.093 1.00 0.36 H new ATOM 0 HE1 PHE A 37 -6.285 -7.821 -2.967 1.00 0.49 H new ATOM 0 HE2 PHE A 37 -2.293 -6.832 -4.207 1.00 0.37 H new ATOM 0 HZ PHE A 37 -4.436 -6.177 -3.144 1.00 0.44 H new ATOM 589 N ALA A 38 -1.842 -13.807 -4.425 1.00 0.38 N ATOM 590 CA ALA A 38 -1.378 -15.121 -4.953 1.00 0.42 C ATOM 591 C ALA A 38 -1.820 -16.237 -4.004 1.00 0.43 C ATOM 592 O ALA A 38 -1.367 -17.360 -4.098 1.00 0.51 O ATOM 593 CB ALA A 38 0.149 -15.117 -5.061 1.00 0.40 C ATOM 0 H ALA A 38 -1.109 -13.208 -4.046 1.00 0.38 H new ATOM 0 HA ALA A 38 -1.811 -15.290 -5.939 1.00 0.42 H new ATOM 0 HB1 ALA A 38 0.489 -16.078 -5.447 1.00 0.40 H new ATOM 0 HB2 ALA A 38 0.464 -14.322 -5.737 1.00 0.40 H new ATOM 0 HB3 ALA A 38 0.583 -14.948 -4.076 1.00 0.40 H new ATOM 599 N ALA A 39 -2.700 -15.936 -3.089 1.00 0.37 N ATOM 600 CA ALA A 39 -3.170 -16.981 -2.136 1.00 0.38 C ATOM 601 C ALA A 39 -4.534 -16.579 -1.571 1.00 0.38 C ATOM 602 O ALA A 39 -4.994 -17.124 -0.587 1.00 0.75 O ATOM 603 CB ALA A 39 -2.164 -17.115 -0.991 1.00 0.30 C ATOM 0 H ALA A 39 -3.114 -15.013 -2.960 1.00 0.37 H new ATOM 0 HA ALA A 39 -3.259 -17.935 -2.656 1.00 0.38 H new ATOM 0 HB1 ALA A 39 -2.507 -17.879 -0.293 1.00 0.30 H new ATOM 0 HB2 ALA A 39 -1.192 -17.400 -1.393 1.00 0.30 H new ATOM 0 HB3 ALA A 39 -2.076 -16.161 -0.470 1.00 0.30 H new ATOM 609 N SER A 40 -5.184 -15.628 -2.185 1.00 0.50 N ATOM 610 CA SER A 40 -6.517 -15.193 -1.683 1.00 0.47 C ATOM 611 C SER A 40 -7.581 -16.200 -2.122 1.00 0.63 C ATOM 612 O SER A 40 -7.708 -16.515 -3.289 1.00 1.01 O ATOM 613 CB SER A 40 -6.852 -13.815 -2.255 1.00 0.54 C ATOM 614 OG SER A 40 -6.501 -12.815 -1.308 1.00 1.71 O ATOM 0 H SER A 40 -4.849 -15.134 -3.012 1.00 0.50 H new ATOM 0 HA SER A 40 -6.495 -15.139 -0.595 1.00 0.47 H new ATOM 0 HB2 SER A 40 -6.311 -13.655 -3.188 1.00 0.54 H new ATOM 0 HB3 SER A 40 -7.915 -13.754 -2.488 1.00 0.54 H new ATOM 0 HG SER A 40 -6.713 -11.930 -1.673 1.00 1.71 H new ATOM 620 N LYS A 41 -8.348 -16.709 -1.197 1.00 0.58 N ATOM 621 CA LYS A 41 -9.403 -17.695 -1.563 1.00 0.77 C ATOM 622 C LYS A 41 -10.599 -17.536 -0.621 1.00 0.64 C ATOM 623 O LYS A 41 -11.612 -16.969 -0.980 1.00 0.71 O ATOM 624 CB LYS A 41 -8.841 -19.113 -1.438 1.00 0.95 C ATOM 625 CG LYS A 41 -7.937 -19.412 -2.636 1.00 1.48 C ATOM 626 CD LYS A 41 -7.400 -20.840 -2.526 1.00 1.52 C ATOM 627 CE LYS A 41 -6.449 -21.119 -3.691 1.00 2.48 C ATOM 628 NZ LYS A 41 -7.240 -21.366 -4.931 1.00 3.75 N ATOM 0 H LYS A 41 -8.289 -16.484 -0.204 1.00 0.58 H new ATOM 0 HA LYS A 41 -9.723 -17.520 -2.590 1.00 0.77 H new ATOM 0 HB2 LYS A 41 -8.277 -19.212 -0.510 1.00 0.95 H new ATOM 0 HB3 LYS A 41 -9.656 -19.836 -1.394 1.00 0.95 H new ATOM 0 HG2 LYS A 41 -8.495 -19.292 -3.565 1.00 1.48 H new ATOM 0 HG3 LYS A 41 -7.110 -18.703 -2.667 1.00 1.48 H new ATOM 0 HD2 LYS A 41 -6.879 -20.972 -1.578 1.00 1.52 H new ATOM 0 HD3 LYS A 41 -8.225 -21.552 -2.538 1.00 1.52 H new ATOM 0 HE2 LYS A 41 -5.778 -20.272 -3.837 1.00 2.48 H new ATOM 0 HE3 LYS A 41 -5.826 -21.984 -3.466 1.00 2.48 H new ATOM 0 HZ1 LYS A 41 -6.601 -21.655 -5.699 1.00 3.75 H new ATOM 0 HZ2 LYS A 41 -7.934 -22.120 -4.756 1.00 3.75 H new ATOM 0 HZ3 LYS A 41 -7.738 -20.495 -5.205 1.00 3.75 H new ATOM 642 N ASP A 42 -10.489 -18.032 0.581 1.00 0.54 N ATOM 643 CA ASP A 42 -11.619 -17.908 1.544 1.00 0.51 C ATOM 644 C ASP A 42 -11.435 -16.645 2.389 1.00 0.42 C ATOM 645 O ASP A 42 -12.092 -16.457 3.393 1.00 0.45 O ATOM 646 CB ASP A 42 -11.647 -19.134 2.459 1.00 0.62 C ATOM 647 CG ASP A 42 -11.796 -20.400 1.614 1.00 1.94 C ATOM 648 OD1 ASP A 42 -12.924 -20.763 1.321 1.00 2.92 O ATOM 649 OD2 ASP A 42 -10.781 -20.985 1.274 1.00 2.28 O ATOM 0 H ASP A 42 -9.666 -18.517 0.937 1.00 0.54 H new ATOM 0 HA ASP A 42 -12.558 -17.843 0.994 1.00 0.51 H new ATOM 0 HB2 ASP A 42 -10.731 -19.183 3.047 1.00 0.62 H new ATOM 0 HB3 ASP A 42 -12.474 -19.056 3.164 1.00 0.62 H new ATOM 654 N THR A 43 -10.544 -15.778 1.990 1.00 0.41 N ATOM 655 CA THR A 43 -10.319 -14.530 2.770 1.00 0.33 C ATOM 656 C THR A 43 -11.238 -13.425 2.243 1.00 0.25 C ATOM 657 O THR A 43 -11.465 -13.308 1.055 1.00 0.29 O ATOM 658 CB THR A 43 -8.860 -14.093 2.625 1.00 0.25 C ATOM 659 OG1 THR A 43 -8.743 -13.199 1.528 1.00 0.75 O ATOM 660 CG2 THR A 43 -7.980 -15.319 2.382 1.00 1.16 C ATOM 0 H THR A 43 -9.963 -15.881 1.158 1.00 0.41 H new ATOM 0 HA THR A 43 -10.540 -14.715 3.821 1.00 0.33 H new ATOM 0 HB THR A 43 -8.537 -13.593 3.538 1.00 0.25 H new ATOM 0 HG1 THR A 43 -7.809 -12.917 1.434 1.00 0.75 H new ATOM 0 HG21 THR A 43 -6.941 -15.006 2.279 1.00 1.16 H new ATOM 0 HG22 THR A 43 -8.071 -16.005 3.224 1.00 1.16 H new ATOM 0 HG23 THR A 43 -8.300 -15.821 1.469 1.00 1.16 H new ATOM 668 N THR A 44 -11.769 -12.614 3.117 1.00 0.17 N ATOM 669 CA THR A 44 -12.672 -11.519 2.664 1.00 0.08 C ATOM 670 C THR A 44 -11.852 -10.247 2.429 1.00 0.09 C ATOM 671 O THR A 44 -10.703 -10.158 2.812 1.00 0.27 O ATOM 672 CB THR A 44 -13.729 -11.252 3.739 1.00 0.05 C ATOM 673 OG1 THR A 44 -13.156 -10.476 4.782 1.00 0.62 O ATOM 674 CG2 THR A 44 -14.229 -12.582 4.306 1.00 0.68 C ATOM 0 H THR A 44 -11.616 -12.663 4.124 1.00 0.17 H new ATOM 0 HA THR A 44 -13.163 -11.813 1.736 1.00 0.08 H new ATOM 0 HB THR A 44 -14.566 -10.709 3.300 1.00 0.05 H new ATOM 0 HG1 THR A 44 -13.832 -10.303 5.470 1.00 0.62 H new ATOM 0 HG21 THR A 44 -14.981 -12.391 5.071 1.00 0.68 H new ATOM 0 HG22 THR A 44 -14.668 -13.177 3.505 1.00 0.68 H new ATOM 0 HG23 THR A 44 -13.394 -13.127 4.746 1.00 0.68 H new ATOM 682 N GLU A 45 -12.434 -9.264 1.798 1.00 0.36 N ATOM 683 CA GLU A 45 -11.689 -8.001 1.538 1.00 0.38 C ATOM 684 C GLU A 45 -11.011 -7.534 2.828 1.00 0.36 C ATOM 685 O GLU A 45 -9.950 -6.942 2.804 1.00 0.34 O ATOM 686 CB GLU A 45 -12.663 -6.924 1.057 1.00 0.43 C ATOM 687 CG GLU A 45 -13.823 -7.582 0.307 1.00 0.42 C ATOM 688 CD GLU A 45 -14.530 -6.538 -0.559 1.00 1.32 C ATOM 689 OE1 GLU A 45 -14.345 -5.360 -0.302 1.00 2.18 O ATOM 690 OE2 GLU A 45 -15.246 -6.934 -1.464 1.00 1.87 O ATOM 0 H GLU A 45 -13.393 -9.282 1.452 1.00 0.36 H new ATOM 0 HA GLU A 45 -10.933 -8.176 0.772 1.00 0.38 H new ATOM 0 HB2 GLU A 45 -13.041 -6.355 1.907 1.00 0.43 H new ATOM 0 HB3 GLU A 45 -12.148 -6.218 0.405 1.00 0.43 H new ATOM 0 HG2 GLU A 45 -13.452 -8.396 -0.316 1.00 0.42 H new ATOM 0 HG3 GLU A 45 -14.527 -8.019 1.016 1.00 0.42 H new ATOM 697 N LYS A 46 -11.613 -7.796 3.955 1.00 0.38 N ATOM 698 CA LYS A 46 -11.002 -7.367 5.245 1.00 0.36 C ATOM 699 C LYS A 46 -9.609 -7.986 5.380 1.00 0.36 C ATOM 700 O LYS A 46 -8.614 -7.291 5.440 1.00 0.39 O ATOM 701 CB LYS A 46 -11.883 -7.832 6.406 1.00 0.38 C ATOM 702 CG LYS A 46 -13.240 -7.130 6.333 1.00 0.48 C ATOM 703 CD LYS A 46 -13.176 -5.807 7.100 1.00 0.70 C ATOM 704 CE LYS A 46 -13.537 -6.048 8.567 1.00 0.95 C ATOM 705 NZ LYS A 46 -13.451 -4.764 9.318 1.00 1.62 N ATOM 0 H LYS A 46 -12.502 -8.289 4.039 1.00 0.38 H new ATOM 0 HA LYS A 46 -10.920 -6.280 5.265 1.00 0.36 H new ATOM 0 HB2 LYS A 46 -12.018 -8.913 6.363 1.00 0.38 H new ATOM 0 HB3 LYS A 46 -11.398 -7.609 7.356 1.00 0.38 H new ATOM 0 HG2 LYS A 46 -13.510 -6.946 5.293 1.00 0.48 H new ATOM 0 HG3 LYS A 46 -14.015 -7.770 6.755 1.00 0.48 H new ATOM 0 HD2 LYS A 46 -12.176 -5.380 7.026 1.00 0.70 H new ATOM 0 HD3 LYS A 46 -13.864 -5.085 6.659 1.00 0.70 H new ATOM 0 HE2 LYS A 46 -14.544 -6.459 8.642 1.00 0.95 H new ATOM 0 HE3 LYS A 46 -12.860 -6.783 9.003 1.00 0.95 H new ATOM 0 HZ1 LYS A 46 -14.016 -4.832 10.188 1.00 1.62 H new ATOM 0 HZ2 LYS A 46 -12.459 -4.571 9.564 1.00 1.62 H new ATOM 0 HZ3 LYS A 46 -13.818 -3.991 8.727 1.00 1.62 H new ATOM 719 N GLU A 47 -9.530 -9.287 5.429 1.00 0.33 N ATOM 720 CA GLU A 47 -8.201 -9.949 5.561 1.00 0.33 C ATOM 721 C GLU A 47 -7.296 -9.513 4.407 1.00 0.32 C ATOM 722 O GLU A 47 -6.091 -9.662 4.461 1.00 0.40 O ATOM 723 CB GLU A 47 -8.383 -11.468 5.520 1.00 0.34 C ATOM 724 CG GLU A 47 -8.757 -11.975 6.914 1.00 0.40 C ATOM 725 CD GLU A 47 -9.455 -13.331 6.795 1.00 1.39 C ATOM 726 OE1 GLU A 47 -8.930 -14.185 6.099 1.00 2.64 O ATOM 727 OE2 GLU A 47 -10.502 -13.492 7.399 1.00 1.84 O ATOM 0 H GLU A 47 -10.328 -9.921 5.383 1.00 0.33 H new ATOM 0 HA GLU A 47 -7.745 -9.662 6.508 1.00 0.33 H new ATOM 0 HB2 GLU A 47 -9.161 -11.732 4.804 1.00 0.34 H new ATOM 0 HB3 GLU A 47 -7.464 -11.946 5.182 1.00 0.34 H new ATOM 0 HG2 GLU A 47 -7.863 -12.067 7.531 1.00 0.40 H new ATOM 0 HG3 GLU A 47 -9.413 -11.259 7.409 1.00 0.40 H new ATOM 734 N THR A 48 -7.866 -8.976 3.363 1.00 0.24 N ATOM 735 CA THR A 48 -7.035 -8.532 2.209 1.00 0.24 C ATOM 736 C THR A 48 -6.336 -7.216 2.558 1.00 0.22 C ATOM 737 O THR A 48 -5.133 -7.092 2.443 1.00 0.23 O ATOM 738 CB THR A 48 -7.930 -8.324 0.984 1.00 0.28 C ATOM 739 OG1 THR A 48 -8.905 -9.358 0.932 1.00 0.19 O ATOM 740 CG2 THR A 48 -7.079 -8.359 -0.285 1.00 0.35 C ATOM 0 H THR A 48 -8.870 -8.826 3.260 1.00 0.24 H new ATOM 0 HA THR A 48 -6.287 -9.293 1.988 1.00 0.24 H new ATOM 0 HB THR A 48 -8.428 -7.357 1.057 1.00 0.28 H new ATOM 0 HG1 THR A 48 -9.437 -9.348 1.755 1.00 0.19 H new ATOM 0 HG21 THR A 48 -7.718 -8.211 -1.156 1.00 0.35 H new ATOM 0 HG22 THR A 48 -6.332 -7.566 -0.244 1.00 0.35 H new ATOM 0 HG23 THR A 48 -6.580 -9.325 -0.362 1.00 0.35 H new ATOM 748 N PHE A 49 -7.081 -6.233 2.986 1.00 0.21 N ATOM 749 CA PHE A 49 -6.458 -4.928 3.342 1.00 0.19 C ATOM 750 C PHE A 49 -5.459 -5.134 4.482 1.00 0.16 C ATOM 751 O PHE A 49 -4.531 -4.368 4.654 1.00 0.11 O ATOM 752 CB PHE A 49 -7.544 -3.947 3.787 1.00 0.20 C ATOM 753 CG PHE A 49 -8.530 -3.742 2.660 1.00 0.24 C ATOM 754 CD1 PHE A 49 -8.135 -3.062 1.502 1.00 0.24 C ATOM 755 CD2 PHE A 49 -9.838 -4.231 2.773 1.00 0.30 C ATOM 756 CE1 PHE A 49 -9.047 -2.871 0.456 1.00 0.29 C ATOM 757 CE2 PHE A 49 -10.749 -4.039 1.728 1.00 0.35 C ATOM 758 CZ PHE A 49 -10.354 -3.359 0.570 1.00 0.34 C ATOM 0 H PHE A 49 -8.093 -6.278 3.104 1.00 0.21 H new ATOM 0 HA PHE A 49 -5.939 -4.525 2.472 1.00 0.19 H new ATOM 0 HB2 PHE A 49 -8.057 -4.331 4.668 1.00 0.20 H new ATOM 0 HB3 PHE A 49 -7.095 -2.995 4.070 1.00 0.20 H new ATOM 0 HD1 PHE A 49 -7.127 -2.685 1.415 1.00 0.24 H new ATOM 0 HD2 PHE A 49 -10.143 -4.756 3.666 1.00 0.30 H new ATOM 0 HE1 PHE A 49 -8.742 -2.347 -0.438 1.00 0.29 H new ATOM 0 HE2 PHE A 49 -11.757 -4.416 1.815 1.00 0.35 H new ATOM 0 HZ PHE A 49 -11.058 -3.211 -0.236 1.00 0.34 H new ATOM 768 N CYS A 50 -5.641 -6.162 5.266 1.00 0.29 N ATOM 769 CA CYS A 50 -4.701 -6.414 6.394 1.00 0.28 C ATOM 770 C CYS A 50 -3.371 -6.931 5.845 1.00 0.24 C ATOM 771 O CYS A 50 -2.359 -6.263 5.913 1.00 0.18 O ATOM 772 CB CYS A 50 -5.305 -7.459 7.336 1.00 0.33 C ATOM 773 SG CYS A 50 -4.021 -8.078 8.450 1.00 0.14 S ATOM 0 H CYS A 50 -6.400 -6.837 5.174 1.00 0.29 H new ATOM 0 HA CYS A 50 -4.531 -5.486 6.940 1.00 0.28 H new ATOM 0 HB2 CYS A 50 -6.119 -7.019 7.911 1.00 0.33 H new ATOM 0 HB3 CYS A 50 -5.730 -8.281 6.760 1.00 0.33 H new ATOM 778 N ARG A 51 -3.363 -8.118 5.302 1.00 0.32 N ATOM 779 CA ARG A 51 -2.097 -8.677 4.750 1.00 0.32 C ATOM 780 C ARG A 51 -1.410 -7.623 3.879 1.00 0.28 C ATOM 781 O ARG A 51 -0.200 -7.506 3.868 1.00 0.28 O ATOM 782 CB ARG A 51 -2.411 -9.913 3.903 1.00 0.44 C ATOM 783 CG ARG A 51 -2.469 -11.147 4.805 1.00 0.90 C ATOM 784 CD ARG A 51 -3.293 -12.240 4.121 1.00 0.51 C ATOM 785 NE ARG A 51 -3.156 -13.514 4.882 1.00 1.58 N ATOM 786 CZ ARG A 51 -3.990 -14.495 4.668 1.00 1.87 C ATOM 787 NH1 ARG A 51 -4.944 -14.360 3.788 1.00 1.38 N ATOM 788 NH2 ARG A 51 -3.870 -15.610 5.334 1.00 2.87 N ATOM 0 H ARG A 51 -4.179 -8.725 5.217 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.436 -8.957 5.570 1.00 0.32 H new ATOM 0 HB2 ARG A 51 -3.362 -9.781 3.387 1.00 0.44 H new ATOM 0 HB3 ARG A 51 -1.648 -10.045 3.136 1.00 0.44 H new ATOM 0 HG2 ARG A 51 -1.461 -11.510 5.008 1.00 0.90 H new ATOM 0 HG3 ARG A 51 -2.915 -10.888 5.766 1.00 0.90 H new ATOM 0 HD2 ARG A 51 -4.341 -11.944 4.072 1.00 0.51 H new ATOM 0 HD3 ARG A 51 -2.953 -12.378 3.095 1.00 0.51 H new ATOM 0 HE ARG A 51 -2.410 -13.619 5.570 1.00 1.58 H new ATOM 0 HH11 ARG A 51 -5.038 -13.488 3.267 1.00 1.38 H new ATOM 0 HH12 ARG A 51 -5.596 -15.127 3.621 1.00 1.38 H new ATOM 0 HH21 ARG A 51 -3.124 -15.715 6.022 1.00 2.87 H new ATOM 0 HH22 ARG A 51 -4.522 -16.377 5.167 1.00 2.87 H new ATOM 802 N ALA A 52 -2.170 -6.856 3.147 1.00 0.27 N ATOM 803 CA ALA A 52 -1.560 -5.813 2.278 1.00 0.25 C ATOM 804 C ALA A 52 -0.747 -4.844 3.139 1.00 0.24 C ATOM 805 O ALA A 52 0.399 -4.556 2.854 1.00 0.28 O ATOM 806 CB ALA A 52 -2.665 -5.043 1.550 1.00 0.27 C ATOM 0 H ALA A 52 -3.188 -6.907 3.114 1.00 0.27 H new ATOM 0 HA ALA A 52 -0.906 -6.288 1.547 1.00 0.25 H new ATOM 0 HB1 ALA A 52 -2.218 -4.279 0.914 1.00 0.27 H new ATOM 0 HB2 ALA A 52 -3.245 -5.732 0.936 1.00 0.27 H new ATOM 0 HB3 ALA A 52 -3.320 -4.568 2.281 1.00 0.27 H new ATOM 812 N ALA A 53 -1.331 -4.337 4.190 1.00 0.20 N ATOM 813 CA ALA A 53 -0.591 -3.387 5.068 1.00 0.21 C ATOM 814 C ALA A 53 0.609 -4.100 5.695 1.00 0.19 C ATOM 815 O ALA A 53 1.689 -3.552 5.787 1.00 0.18 O ATOM 816 CB ALA A 53 -1.521 -2.886 6.175 1.00 0.21 C ATOM 0 H ALA A 53 -2.288 -4.539 4.479 1.00 0.20 H new ATOM 0 HA ALA A 53 -0.242 -2.541 4.475 1.00 0.21 H new ATOM 0 HB1 ALA A 53 -0.980 -2.191 6.818 1.00 0.21 H new ATOM 0 HB2 ALA A 53 -2.376 -2.378 5.729 1.00 0.21 H new ATOM 0 HB3 ALA A 53 -1.870 -3.732 6.768 1.00 0.21 H new ATOM 822 N THR A 54 0.428 -5.318 6.126 1.00 0.18 N ATOM 823 CA THR A 54 1.559 -6.063 6.746 1.00 0.16 C ATOM 824 C THR A 54 2.794 -5.956 5.849 1.00 0.17 C ATOM 825 O THR A 54 3.892 -5.725 6.313 1.00 0.16 O ATOM 826 CB THR A 54 1.172 -7.536 6.906 1.00 0.17 C ATOM 827 OG1 THR A 54 -0.088 -7.624 7.556 1.00 0.17 O ATOM 828 CG2 THR A 54 2.231 -8.255 7.743 1.00 0.13 C ATOM 0 H THR A 54 -0.453 -5.829 6.076 1.00 0.18 H new ATOM 0 HA THR A 54 1.782 -5.636 7.724 1.00 0.16 H new ATOM 0 HB THR A 54 1.109 -8.005 5.924 1.00 0.17 H new ATOM 0 HG1 THR A 54 -0.338 -8.566 7.658 1.00 0.17 H new ATOM 0 HG21 THR A 54 1.955 -9.303 7.857 1.00 0.13 H new ATOM 0 HG22 THR A 54 3.198 -8.186 7.244 1.00 0.13 H new ATOM 0 HG23 THR A 54 2.296 -7.789 8.726 1.00 0.13 H new ATOM 836 N VAL A 55 2.622 -6.121 4.565 1.00 0.19 N ATOM 837 CA VAL A 55 3.786 -6.028 3.640 1.00 0.20 C ATOM 838 C VAL A 55 4.316 -4.592 3.630 1.00 0.17 C ATOM 839 O VAL A 55 5.446 -4.334 3.996 1.00 0.14 O ATOM 840 CB VAL A 55 3.347 -6.419 2.228 1.00 0.25 C ATOM 841 CG1 VAL A 55 4.561 -6.425 1.298 1.00 0.34 C ATOM 842 CG2 VAL A 55 2.721 -7.816 2.258 1.00 0.19 C ATOM 0 H VAL A 55 1.726 -6.316 4.118 1.00 0.19 H new ATOM 0 HA VAL A 55 4.573 -6.703 3.976 1.00 0.20 H new ATOM 0 HB VAL A 55 2.615 -5.699 1.863 1.00 0.25 H new ATOM 0 HG11 VAL A 55 4.247 -6.704 0.292 1.00 0.34 H new ATOM 0 HG12 VAL A 55 5.008 -5.431 1.276 1.00 0.34 H new ATOM 0 HG13 VAL A 55 5.294 -7.145 1.662 1.00 0.34 H new ATOM 0 HG21 VAL A 55 2.408 -8.096 1.252 1.00 0.19 H new ATOM 0 HG22 VAL A 55 3.454 -8.535 2.623 1.00 0.19 H new ATOM 0 HG23 VAL A 55 1.855 -7.813 2.920 1.00 0.19 H new ATOM 852 N LEU A 56 3.508 -3.655 3.214 1.00 0.19 N ATOM 853 CA LEU A 56 3.967 -2.238 3.181 1.00 0.19 C ATOM 854 C LEU A 56 4.641 -1.892 4.510 1.00 0.16 C ATOM 855 O LEU A 56 5.537 -1.074 4.570 1.00 0.15 O ATOM 856 CB LEU A 56 2.764 -1.315 2.966 1.00 0.23 C ATOM 857 CG LEU A 56 1.977 -1.772 1.736 1.00 0.30 C ATOM 858 CD1 LEU A 56 0.791 -0.833 1.511 1.00 0.29 C ATOM 859 CD2 LEU A 56 2.888 -1.741 0.506 1.00 0.55 C ATOM 0 H LEU A 56 2.551 -3.810 2.896 1.00 0.19 H new ATOM 0 HA LEU A 56 4.677 -2.105 2.365 1.00 0.19 H new ATOM 0 HB2 LEU A 56 2.121 -1.328 3.846 1.00 0.23 H new ATOM 0 HB3 LEU A 56 3.101 -0.287 2.833 1.00 0.23 H new ATOM 0 HG LEU A 56 1.614 -2.787 1.896 1.00 0.30 H new ATOM 0 HD11 LEU A 56 0.230 -1.159 0.635 1.00 0.29 H new ATOM 0 HD12 LEU A 56 0.141 -0.852 2.386 1.00 0.29 H new ATOM 0 HD13 LEU A 56 1.155 0.182 1.352 1.00 0.29 H new ATOM 0 HD21 LEU A 56 2.327 -2.067 -0.370 1.00 0.55 H new ATOM 0 HD22 LEU A 56 3.251 -0.726 0.348 1.00 0.55 H new ATOM 0 HD23 LEU A 56 3.735 -2.409 0.664 1.00 0.55 H new ATOM 871 N ARG A 57 4.221 -2.512 5.578 1.00 0.15 N ATOM 872 CA ARG A 57 4.843 -2.217 6.897 1.00 0.15 C ATOM 873 C ARG A 57 6.313 -2.639 6.872 1.00 0.14 C ATOM 874 O ARG A 57 7.206 -1.820 6.955 1.00 0.16 O ATOM 875 CB ARG A 57 4.108 -2.994 7.992 1.00 0.14 C ATOM 876 CG ARG A 57 4.459 -2.405 9.360 1.00 0.34 C ATOM 877 CD ARG A 57 3.808 -3.245 10.460 1.00 0.27 C ATOM 878 NE ARG A 57 4.383 -2.867 11.781 1.00 1.07 N ATOM 879 CZ ARG A 57 3.783 -3.228 12.881 1.00 1.20 C ATOM 880 NH1 ARG A 57 2.679 -3.921 12.826 1.00 0.63 N ATOM 881 NH2 ARG A 57 4.287 -2.896 14.038 1.00 1.98 N ATOM 0 H ARG A 57 3.476 -3.208 5.594 1.00 0.15 H new ATOM 0 HA ARG A 57 4.775 -1.148 7.101 1.00 0.15 H new ATOM 0 HB2 ARG A 57 3.032 -2.944 7.828 1.00 0.14 H new ATOM 0 HB3 ARG A 57 4.387 -4.047 7.955 1.00 0.14 H new ATOM 0 HG2 ARG A 57 5.541 -2.387 9.493 1.00 0.34 H new ATOM 0 HG3 ARG A 57 4.113 -1.373 9.423 1.00 0.34 H new ATOM 0 HD2 ARG A 57 2.730 -3.087 10.462 1.00 0.27 H new ATOM 0 HD3 ARG A 57 3.974 -4.305 10.269 1.00 0.27 H new ATOM 0 HE ARG A 57 5.246 -2.326 11.825 1.00 1.07 H new ATOM 0 HH11 ARG A 57 2.284 -4.181 11.922 1.00 0.63 H new ATOM 0 HH12 ARG A 57 2.210 -4.203 13.687 1.00 0.63 H new ATOM 0 HH21 ARG A 57 5.150 -2.354 14.082 1.00 1.98 H new ATOM 0 HH22 ARG A 57 3.818 -3.178 14.899 1.00 1.98 H new ATOM 895 N GLN A 58 6.571 -3.913 6.759 1.00 0.12 N ATOM 896 CA GLN A 58 7.982 -4.391 6.733 1.00 0.12 C ATOM 897 C GLN A 58 8.714 -3.791 5.529 1.00 0.15 C ATOM 898 O GLN A 58 9.900 -3.986 5.356 1.00 0.19 O ATOM 899 CB GLN A 58 7.999 -5.918 6.628 1.00 0.14 C ATOM 900 CG GLN A 58 7.131 -6.358 5.447 1.00 0.08 C ATOM 901 CD GLN A 58 7.118 -7.886 5.362 1.00 0.51 C ATOM 902 OE1 GLN A 58 6.907 -8.445 4.305 1.00 1.02 O ATOM 903 NE2 GLN A 58 7.335 -8.588 6.440 1.00 1.74 N ATOM 0 H GLN A 58 5.864 -4.645 6.683 1.00 0.12 H new ATOM 0 HA GLN A 58 8.483 -4.079 7.649 1.00 0.12 H new ATOM 0 HB2 GLN A 58 9.021 -6.273 6.494 1.00 0.14 H new ATOM 0 HB3 GLN A 58 7.627 -6.361 7.552 1.00 0.14 H new ATOM 0 HG2 GLN A 58 6.115 -5.982 5.569 1.00 0.08 H new ATOM 0 HG3 GLN A 58 7.519 -5.935 4.520 1.00 0.08 H new ATOM 0 HE21 GLN A 58 7.512 -8.118 7.328 1.00 1.74 H new ATOM 0 HE22 GLN A 58 7.327 -9.607 6.395 1.00 1.74 H new ATOM 912 N PHE A 59 8.021 -3.065 4.693 1.00 0.14 N ATOM 913 CA PHE A 59 8.691 -2.464 3.505 1.00 0.16 C ATOM 914 C PHE A 59 9.351 -1.140 3.897 1.00 0.13 C ATOM 915 O PHE A 59 10.557 -1.049 4.015 1.00 0.17 O ATOM 916 CB PHE A 59 7.662 -2.214 2.401 1.00 0.20 C ATOM 917 CG PHE A 59 8.358 -1.673 1.175 1.00 0.24 C ATOM 918 CD1 PHE A 59 8.944 -2.551 0.256 1.00 0.38 C ATOM 919 CD2 PHE A 59 8.419 -0.290 0.960 1.00 0.19 C ATOM 920 CE1 PHE A 59 9.590 -2.047 -0.879 1.00 0.45 C ATOM 921 CE2 PHE A 59 9.065 0.213 -0.176 1.00 0.29 C ATOM 922 CZ PHE A 59 9.650 -0.666 -1.096 1.00 0.41 C ATOM 0 H PHE A 59 7.025 -2.863 4.781 1.00 0.14 H new ATOM 0 HA PHE A 59 9.452 -3.153 3.140 1.00 0.16 H new ATOM 0 HB2 PHE A 59 7.142 -3.141 2.158 1.00 0.20 H new ATOM 0 HB3 PHE A 59 6.908 -1.506 2.746 1.00 0.20 H new ATOM 0 HD1 PHE A 59 8.898 -3.617 0.422 1.00 0.38 H new ATOM 0 HD2 PHE A 59 7.968 0.388 1.670 1.00 0.19 H new ATOM 0 HE1 PHE A 59 10.042 -2.725 -1.588 1.00 0.45 H new ATOM 0 HE2 PHE A 59 9.112 1.279 -0.343 1.00 0.29 H new ATOM 0 HZ PHE A 59 10.147 -0.278 -1.973 1.00 0.41 H new ATOM 932 N TYR A 60 8.576 -0.107 4.096 1.00 0.13 N ATOM 933 CA TYR A 60 9.177 1.205 4.472 1.00 0.12 C ATOM 934 C TYR A 60 9.726 1.135 5.899 1.00 0.13 C ATOM 935 O TYR A 60 10.312 2.078 6.392 1.00 0.18 O ATOM 936 CB TYR A 60 8.115 2.307 4.383 1.00 0.13 C ATOM 937 CG TYR A 60 7.040 2.071 5.417 1.00 0.14 C ATOM 938 CD1 TYR A 60 7.255 2.439 6.753 1.00 0.16 C ATOM 939 CD2 TYR A 60 5.825 1.487 5.040 1.00 0.15 C ATOM 940 CE1 TYR A 60 6.256 2.220 7.708 1.00 0.17 C ATOM 941 CE2 TYR A 60 4.826 1.268 5.996 1.00 0.17 C ATOM 942 CZ TYR A 60 5.042 1.635 7.330 1.00 0.18 C ATOM 943 OH TYR A 60 4.057 1.419 8.272 1.00 0.20 O ATOM 0 H TYR A 60 7.559 -0.115 4.015 1.00 0.13 H new ATOM 0 HA TYR A 60 9.991 1.433 3.785 1.00 0.12 H new ATOM 0 HB2 TYR A 60 8.576 3.282 4.541 1.00 0.13 H new ATOM 0 HB3 TYR A 60 7.675 2.321 3.386 1.00 0.13 H new ATOM 0 HD1 TYR A 60 8.191 2.891 7.045 1.00 0.16 H new ATOM 0 HD2 TYR A 60 5.658 1.205 4.011 1.00 0.15 H new ATOM 0 HE1 TYR A 60 6.422 2.502 8.737 1.00 0.17 H new ATOM 0 HE2 TYR A 60 3.889 0.816 5.705 1.00 0.17 H new ATOM 0 HH TYR A 60 3.260 1.938 8.037 1.00 0.20 H new ATOM 953 N SER A 61 9.546 0.026 6.567 1.00 0.12 N ATOM 954 CA SER A 61 10.061 -0.096 7.961 1.00 0.12 C ATOM 955 C SER A 61 11.439 -0.764 7.943 1.00 0.06 C ATOM 956 O SER A 61 12.318 -0.410 8.702 1.00 0.04 O ATOM 957 CB SER A 61 9.098 -0.945 8.790 1.00 0.17 C ATOM 958 OG SER A 61 7.798 -0.373 8.732 1.00 0.23 O ATOM 0 H SER A 61 9.065 -0.799 6.208 1.00 0.12 H new ATOM 0 HA SER A 61 10.144 0.897 8.402 1.00 0.12 H new ATOM 0 HB2 SER A 61 9.076 -1.966 8.410 1.00 0.17 H new ATOM 0 HB3 SER A 61 9.439 -0.997 9.824 1.00 0.17 H new ATOM 0 HG SER A 61 7.409 -0.534 7.847 1.00 0.23 H new ATOM 964 N HIS A 62 11.634 -1.729 7.087 1.00 0.08 N ATOM 965 CA HIS A 62 12.955 -2.418 7.028 1.00 0.04 C ATOM 966 C HIS A 62 13.868 -1.704 6.029 1.00 0.07 C ATOM 967 O HIS A 62 15.072 -1.867 6.049 1.00 0.33 O ATOM 968 CB HIS A 62 12.753 -3.869 6.584 1.00 0.10 C ATOM 969 CG HIS A 62 13.827 -4.731 7.186 1.00 1.45 C ATOM 970 ND1 HIS A 62 13.688 -5.327 8.430 1.00 1.57 N ATOM 971 CD2 HIS A 62 15.066 -5.109 6.727 1.00 3.11 C ATOM 972 CE1 HIS A 62 14.813 -6.024 8.674 1.00 2.98 C ATOM 973 NE2 HIS A 62 15.686 -5.924 7.668 1.00 3.99 N ATOM 0 H HIS A 62 10.936 -2.070 6.426 1.00 0.08 H new ATOM 0 HA HIS A 62 13.416 -2.397 8.016 1.00 0.04 H new ATOM 0 HB2 HIS A 62 11.770 -4.223 6.896 1.00 0.10 H new ATOM 0 HB3 HIS A 62 12.785 -3.936 5.497 1.00 0.10 H new ATOM 0 HD2 HIS A 62 15.493 -4.817 5.779 1.00 3.11 H new ATOM 0 HE1 HIS A 62 14.989 -6.595 9.574 1.00 2.98 H new ATOM 0 HE2 HIS A 62 16.609 -6.353 7.604 1.00 3.99 H new ATOM 981 N HIS A 63 13.307 -0.916 5.154 1.00 0.40 N ATOM 982 CA HIS A 63 14.144 -0.196 4.151 1.00 0.46 C ATOM 983 C HIS A 63 14.493 1.197 4.676 1.00 0.47 C ATOM 984 O HIS A 63 15.592 1.683 4.496 1.00 0.53 O ATOM 985 CB HIS A 63 13.360 -0.059 2.847 1.00 0.44 C ATOM 986 CG HIS A 63 13.418 -1.357 2.088 1.00 0.65 C ATOM 987 ND1 HIS A 63 14.556 -1.767 1.413 1.00 1.18 N ATOM 988 CD2 HIS A 63 12.488 -2.348 1.890 1.00 0.75 C ATOM 989 CE1 HIS A 63 14.285 -2.957 0.845 1.00 1.32 C ATOM 990 NE2 HIS A 63 13.037 -3.356 1.105 1.00 1.04 N ATOM 0 H HIS A 63 12.305 -0.739 5.089 1.00 0.40 H new ATOM 0 HA HIS A 63 15.061 -0.758 3.975 1.00 0.46 H new ATOM 0 HB2 HIS A 63 12.324 0.205 3.059 1.00 0.44 H new ATOM 0 HB3 HIS A 63 13.777 0.747 2.243 1.00 0.44 H new ATOM 0 HD2 HIS A 63 11.483 -2.345 2.284 1.00 0.75 H new ATOM 0 HE1 HIS A 63 14.990 -3.520 0.252 1.00 1.32 H new ATOM 0 HE2 HIS A 63 12.584 -4.215 0.794 1.00 1.04 H new ATOM 998 N GLU A 64 13.560 1.842 5.320 1.00 0.46 N ATOM 999 CA GLU A 64 13.821 3.207 5.858 1.00 0.50 C ATOM 1000 C GLU A 64 15.185 3.239 6.554 1.00 0.48 C ATOM 1001 O GLU A 64 15.906 4.214 6.476 1.00 0.47 O ATOM 1002 CB GLU A 64 12.718 3.565 6.856 1.00 0.55 C ATOM 1003 CG GLU A 64 13.184 4.703 7.768 1.00 0.80 C ATOM 1004 CD GLU A 64 13.924 4.124 8.976 1.00 1.93 C ATOM 1005 OE1 GLU A 64 13.266 3.564 9.837 1.00 2.86 O ATOM 1006 OE2 GLU A 64 15.137 4.250 9.019 1.00 2.67 O ATOM 0 H GLU A 64 12.623 1.480 5.498 1.00 0.46 H new ATOM 0 HA GLU A 64 13.827 3.930 5.042 1.00 0.50 H new ATOM 0 HB2 GLU A 64 11.816 3.863 6.322 1.00 0.55 H new ATOM 0 HB3 GLU A 64 12.460 2.691 7.454 1.00 0.55 H new ATOM 0 HG2 GLU A 64 13.839 5.379 7.218 1.00 0.80 H new ATOM 0 HG3 GLU A 64 12.328 5.290 8.101 1.00 0.80 H new ATOM 1013 N LYS A 65 15.545 2.186 7.236 1.00 0.58 N ATOM 1014 CA LYS A 65 16.861 2.168 7.936 1.00 0.66 C ATOM 1015 C LYS A 65 17.922 1.546 7.025 1.00 0.49 C ATOM 1016 O LYS A 65 19.106 1.713 7.233 1.00 0.38 O ATOM 1017 CB LYS A 65 16.746 1.343 9.221 1.00 0.94 C ATOM 1018 CG LYS A 65 16.304 -0.081 8.879 1.00 1.58 C ATOM 1019 CD LYS A 65 15.195 -0.514 9.840 1.00 1.42 C ATOM 1020 CE LYS A 65 15.716 -0.459 11.278 1.00 1.84 C ATOM 1021 NZ LYS A 65 15.437 -1.757 11.956 1.00 2.85 N ATOM 0 H LYS A 65 14.986 1.339 7.339 1.00 0.58 H new ATOM 0 HA LYS A 65 17.151 3.189 8.183 1.00 0.66 H new ATOM 0 HB2 LYS A 65 17.705 1.322 9.739 1.00 0.94 H new ATOM 0 HB3 LYS A 65 16.028 1.805 9.898 1.00 0.94 H new ATOM 0 HG2 LYS A 65 15.947 -0.125 7.850 1.00 1.58 H new ATOM 0 HG3 LYS A 65 17.151 -0.764 8.952 1.00 1.58 H new ATOM 0 HD2 LYS A 65 14.329 0.139 9.730 1.00 1.42 H new ATOM 0 HD3 LYS A 65 14.865 -1.525 9.600 1.00 1.42 H new ATOM 0 HE2 LYS A 65 16.787 -0.258 11.281 1.00 1.84 H new ATOM 0 HE3 LYS A 65 15.237 0.357 11.819 1.00 1.84 H new ATOM 0 HZ1 LYS A 65 15.791 -1.721 12.933 1.00 2.85 H new ATOM 0 HZ2 LYS A 65 14.412 -1.931 11.965 1.00 2.85 H new ATOM 0 HZ3 LYS A 65 15.914 -2.526 11.443 1.00 2.85 H new ATOM 1035 N ASP A 66 17.508 0.828 6.016 1.00 0.50 N ATOM 1036 CA ASP A 66 18.498 0.199 5.097 1.00 0.39 C ATOM 1037 C ASP A 66 19.043 1.256 4.134 1.00 0.28 C ATOM 1038 O ASP A 66 18.298 1.969 3.493 1.00 0.18 O ATOM 1039 CB ASP A 66 17.819 -0.916 4.299 1.00 0.50 C ATOM 1040 CG ASP A 66 18.870 -1.927 3.837 1.00 0.54 C ATOM 1041 OD1 ASP A 66 19.924 -1.497 3.397 1.00 1.44 O ATOM 1042 OD2 ASP A 66 18.605 -3.114 3.931 1.00 0.93 O ATOM 0 H ASP A 66 16.530 0.650 5.789 1.00 0.50 H new ATOM 0 HA ASP A 66 19.318 -0.220 5.680 1.00 0.39 H new ATOM 0 HB2 ASP A 66 17.068 -1.412 4.914 1.00 0.50 H new ATOM 0 HB3 ASP A 66 17.299 -0.496 3.438 1.00 0.50 H new ATOM 1047 N THR A 67 20.339 1.362 4.028 1.00 0.47 N ATOM 1048 CA THR A 67 20.932 2.373 3.107 1.00 0.40 C ATOM 1049 C THR A 67 20.798 1.889 1.662 1.00 0.36 C ATOM 1050 O THR A 67 21.667 2.106 0.842 1.00 0.35 O ATOM 1051 CB THR A 67 22.412 2.565 3.445 1.00 0.37 C ATOM 1052 OG1 THR A 67 23.134 1.395 3.085 1.00 0.37 O ATOM 1053 CG2 THR A 67 22.567 2.821 4.945 1.00 0.73 C ATOM 0 H THR A 67 21.013 0.792 4.539 1.00 0.47 H new ATOM 0 HA THR A 67 20.407 3.321 3.222 1.00 0.40 H new ATOM 0 HB THR A 67 22.803 3.419 2.892 1.00 0.37 H new ATOM 0 HG1 THR A 67 24.082 1.517 3.299 1.00 0.37 H new ATOM 0 HG21 THR A 67 23.622 2.957 5.184 1.00 0.73 H new ATOM 0 HG22 THR A 67 22.014 3.719 5.220 1.00 0.73 H new ATOM 0 HG23 THR A 67 22.176 1.969 5.502 1.00 0.73 H new ATOM 1061 N ARG A 68 19.713 1.235 1.345 1.00 0.37 N ATOM 1062 CA ARG A 68 19.521 0.735 -0.047 1.00 0.36 C ATOM 1063 C ARG A 68 18.701 1.748 -0.847 1.00 0.34 C ATOM 1064 O ARG A 68 19.079 2.150 -1.930 1.00 0.28 O ATOM 1065 CB ARG A 68 18.781 -0.603 -0.011 1.00 0.44 C ATOM 1066 CG ARG A 68 19.718 -1.693 0.512 1.00 0.55 C ATOM 1067 CD ARG A 68 20.124 -2.614 -0.641 1.00 0.50 C ATOM 1068 NE ARG A 68 20.528 -1.790 -1.816 1.00 1.66 N ATOM 1069 CZ ARG A 68 21.187 -2.336 -2.801 1.00 2.10 C ATOM 1070 NH1 ARG A 68 21.492 -3.605 -2.757 1.00 1.47 N ATOM 1071 NH2 ARG A 68 21.540 -1.615 -3.829 1.00 3.54 N ATOM 0 H ARG A 68 18.951 1.025 1.990 1.00 0.37 H new ATOM 0 HA ARG A 68 20.494 0.601 -0.520 1.00 0.36 H new ATOM 0 HB2 ARG A 68 17.902 -0.527 0.629 1.00 0.44 H new ATOM 0 HB3 ARG A 68 18.427 -0.861 -1.009 1.00 0.44 H new ATOM 0 HG2 ARG A 68 20.603 -1.242 0.960 1.00 0.55 H new ATOM 0 HG3 ARG A 68 19.223 -2.269 1.294 1.00 0.55 H new ATOM 0 HD2 ARG A 68 20.948 -3.257 -0.334 1.00 0.50 H new ATOM 0 HD3 ARG A 68 19.293 -3.267 -0.909 1.00 0.50 H new ATOM 0 HE ARG A 68 20.289 -0.799 -1.850 1.00 1.66 H new ATOM 0 HH11 ARG A 68 21.215 -4.168 -1.953 1.00 1.47 H new ATOM 0 HH12 ARG A 68 22.007 -4.033 -3.527 1.00 1.47 H new ATOM 0 HH21 ARG A 68 21.301 -0.624 -3.863 1.00 3.54 H new ATOM 0 HH22 ARG A 68 22.055 -2.042 -4.599 1.00 3.54 H new ATOM 1085 N CYS A 69 17.579 2.164 -0.326 1.00 0.43 N ATOM 1086 CA CYS A 69 16.735 3.148 -1.061 1.00 0.42 C ATOM 1087 C CYS A 69 17.095 4.568 -0.620 1.00 0.39 C ATOM 1088 O CYS A 69 16.355 5.504 -0.847 1.00 0.53 O ATOM 1089 CB CYS A 69 15.259 2.879 -0.761 1.00 0.46 C ATOM 1090 SG CYS A 69 14.723 1.402 -1.659 1.00 0.32 S ATOM 0 H CYS A 69 17.210 1.865 0.577 1.00 0.43 H new ATOM 0 HA CYS A 69 16.914 3.047 -2.132 1.00 0.42 H new ATOM 0 HB2 CYS A 69 15.114 2.740 0.310 1.00 0.46 H new ATOM 0 HB3 CYS A 69 14.654 3.737 -1.056 1.00 0.46 H new ATOM 1095 N LEU A 70 18.227 4.737 0.008 1.00 0.27 N ATOM 1096 CA LEU A 70 18.631 6.099 0.460 1.00 0.28 C ATOM 1097 C LEU A 70 19.497 6.756 -0.617 1.00 0.33 C ATOM 1098 O LEU A 70 19.422 7.946 -0.848 1.00 0.45 O ATOM 1099 CB LEU A 70 19.433 5.987 1.761 1.00 0.28 C ATOM 1100 CG LEU A 70 18.477 5.936 2.959 1.00 0.47 C ATOM 1101 CD1 LEU A 70 19.262 5.580 4.223 1.00 0.44 C ATOM 1102 CD2 LEU A 70 17.796 7.298 3.157 1.00 0.60 C ATOM 0 H LEU A 70 18.888 3.992 0.227 1.00 0.27 H new ATOM 0 HA LEU A 70 17.741 6.705 0.632 1.00 0.28 H new ATOM 0 HB2 LEU A 70 20.053 5.091 1.741 1.00 0.28 H new ATOM 0 HB3 LEU A 70 20.107 6.838 1.858 1.00 0.28 H new ATOM 0 HG LEU A 70 17.715 5.180 2.768 1.00 0.47 H new ATOM 0 HD11 LEU A 70 18.583 5.544 5.075 1.00 0.44 H new ATOM 0 HD12 LEU A 70 19.736 4.607 4.095 1.00 0.44 H new ATOM 0 HD13 LEU A 70 20.027 6.336 4.401 1.00 0.44 H new ATOM 0 HD21 LEU A 70 17.120 7.246 4.011 1.00 0.60 H new ATOM 0 HD22 LEU A 70 18.553 8.060 3.339 1.00 0.60 H new ATOM 0 HD23 LEU A 70 17.230 7.555 2.262 1.00 0.60 H new ATOM 1114 N GLY A 71 20.319 5.988 -1.279 1.00 0.41 N ATOM 1115 CA GLY A 71 21.188 6.566 -2.342 1.00 0.54 C ATOM 1116 C GLY A 71 22.346 7.331 -1.698 1.00 0.41 C ATOM 1117 O GLY A 71 22.455 7.404 -0.490 1.00 0.59 O ATOM 0 H GLY A 71 20.426 4.985 -1.129 1.00 0.41 H new ATOM 0 HA2 GLY A 71 21.574 5.772 -2.982 1.00 0.54 H new ATOM 0 HA3 GLY A 71 20.607 7.234 -2.978 1.00 0.54 H new ATOM 1121 N ALA A 72 23.210 7.899 -2.498 1.00 0.54 N ATOM 1122 CA ALA A 72 24.365 8.661 -1.941 1.00 0.68 C ATOM 1123 C ALA A 72 24.069 10.160 -2.009 1.00 0.41 C ATOM 1124 O ALA A 72 23.917 10.820 -1.000 1.00 0.79 O ATOM 1125 CB ALA A 72 25.619 8.354 -2.764 1.00 0.93 C ATOM 0 H ALA A 72 23.165 7.867 -3.517 1.00 0.54 H new ATOM 0 HA ALA A 72 24.527 8.369 -0.903 1.00 0.68 H new ATOM 0 HB1 ALA A 72 26.465 8.910 -2.359 1.00 0.93 H new ATOM 0 HB2 ALA A 72 25.831 7.286 -2.719 1.00 0.93 H new ATOM 0 HB3 ALA A 72 25.455 8.648 -3.801 1.00 0.93 H new ATOM 1131 N THR A 73 23.989 10.706 -3.192 1.00 0.62 N ATOM 1132 CA THR A 73 23.705 12.163 -3.325 1.00 0.64 C ATOM 1133 C THR A 73 22.495 12.527 -2.460 1.00 0.45 C ATOM 1134 O THR A 73 21.877 11.676 -1.853 1.00 0.64 O ATOM 1135 CB THR A 73 23.410 12.492 -4.792 1.00 1.08 C ATOM 1136 OG1 THR A 73 24.498 12.064 -5.599 1.00 2.72 O ATOM 1137 CG2 THR A 73 23.211 14.000 -4.961 1.00 2.04 C ATOM 0 H THR A 73 24.108 10.205 -4.073 1.00 0.62 H new ATOM 0 HA THR A 73 24.570 12.737 -2.994 1.00 0.64 H new ATOM 0 HB THR A 73 22.500 11.976 -5.099 1.00 1.08 H new ATOM 0 HG1 THR A 73 24.310 12.272 -6.538 1.00 2.72 H new ATOM 0 HG21 THR A 73 23.002 14.224 -6.007 1.00 2.04 H new ATOM 0 HG22 THR A 73 22.374 14.328 -4.345 1.00 2.04 H new ATOM 0 HG23 THR A 73 24.116 14.523 -4.652 1.00 2.04 H new ATOM 1145 N ALA A 74 22.154 13.785 -2.399 1.00 0.48 N ATOM 1146 CA ALA A 74 20.986 14.201 -1.570 1.00 0.76 C ATOM 1147 C ALA A 74 19.701 14.077 -2.393 1.00 0.85 C ATOM 1148 O ALA A 74 18.666 13.687 -1.889 1.00 1.36 O ATOM 1149 CB ALA A 74 21.167 15.652 -1.126 1.00 1.03 C ATOM 0 H ALA A 74 22.633 14.542 -2.886 1.00 0.48 H new ATOM 0 HA ALA A 74 20.918 13.557 -0.693 1.00 0.76 H new ATOM 0 HB1 ALA A 74 20.314 15.956 -0.520 1.00 1.03 H new ATOM 0 HB2 ALA A 74 22.080 15.741 -0.537 1.00 1.03 H new ATOM 0 HB3 ALA A 74 21.237 16.295 -2.003 1.00 1.03 H new ATOM 1155 N GLN A 75 19.758 14.407 -3.655 1.00 0.45 N ATOM 1156 CA GLN A 75 18.541 14.309 -4.509 1.00 0.65 C ATOM 1157 C GLN A 75 17.854 12.963 -4.270 1.00 0.69 C ATOM 1158 O GLN A 75 16.648 12.884 -4.147 1.00 0.75 O ATOM 1159 CB GLN A 75 18.939 14.423 -5.982 1.00 0.85 C ATOM 1160 CG GLN A 75 19.712 13.172 -6.400 1.00 0.95 C ATOM 1161 CD GLN A 75 20.460 13.444 -7.706 1.00 1.13 C ATOM 1162 OE1 GLN A 75 21.303 14.317 -7.767 1.00 1.10 O ATOM 1163 NE2 GLN A 75 20.185 12.730 -8.763 1.00 1.96 N ATOM 0 H GLN A 75 20.596 14.741 -4.131 1.00 0.45 H new ATOM 0 HA GLN A 75 17.855 15.117 -4.254 1.00 0.65 H new ATOM 0 HB2 GLN A 75 18.050 14.538 -6.602 1.00 0.85 H new ATOM 0 HB3 GLN A 75 19.552 15.311 -6.136 1.00 0.85 H new ATOM 0 HG2 GLN A 75 20.416 12.889 -5.618 1.00 0.95 H new ATOM 0 HG3 GLN A 75 19.026 12.335 -6.529 1.00 0.95 H new ATOM 0 HE21 GLN A 75 19.478 11.997 -8.713 1.00 1.96 H new ATOM 0 HE22 GLN A 75 20.677 12.905 -9.639 1.00 1.96 H new ATOM 1172 N GLN A 76 18.612 11.903 -4.204 1.00 0.67 N ATOM 1173 CA GLN A 76 18.001 10.564 -3.972 1.00 0.71 C ATOM 1174 C GLN A 76 17.608 10.433 -2.499 1.00 0.66 C ATOM 1175 O GLN A 76 16.693 9.713 -2.151 1.00 0.71 O ATOM 1176 CB GLN A 76 19.011 9.473 -4.330 1.00 0.72 C ATOM 1177 CG GLN A 76 18.271 8.161 -4.603 1.00 0.81 C ATOM 1178 CD GLN A 76 17.535 8.259 -5.940 1.00 0.84 C ATOM 1179 OE1 GLN A 76 17.865 9.083 -6.769 1.00 1.80 O ATOM 1180 NE2 GLN A 76 16.545 7.446 -6.188 1.00 1.42 N ATOM 0 H GLN A 76 19.627 11.906 -4.301 1.00 0.67 H new ATOM 0 HA GLN A 76 17.114 10.455 -4.596 1.00 0.71 H new ATOM 0 HB2 GLN A 76 19.585 9.768 -5.208 1.00 0.72 H new ATOM 0 HB3 GLN A 76 19.722 9.339 -3.515 1.00 0.72 H new ATOM 0 HG2 GLN A 76 18.977 7.331 -4.624 1.00 0.81 H new ATOM 0 HG3 GLN A 76 17.563 7.957 -3.800 1.00 0.81 H new ATOM 0 HE21 GLN A 76 16.267 6.754 -5.492 1.00 1.42 H new ATOM 0 HE22 GLN A 76 16.049 7.503 -7.077 1.00 1.42 H new ATOM 1189 N PHE A 77 18.295 11.124 -1.629 1.00 0.57 N ATOM 1190 CA PHE A 77 17.960 11.039 -0.179 1.00 0.53 C ATOM 1191 C PHE A 77 16.611 11.715 0.073 1.00 0.47 C ATOM 1192 O PHE A 77 15.745 11.169 0.729 1.00 0.42 O ATOM 1193 CB PHE A 77 19.046 11.746 0.636 1.00 0.60 C ATOM 1194 CG PHE A 77 18.910 11.367 2.091 1.00 0.87 C ATOM 1195 CD1 PHE A 77 18.101 12.132 2.941 1.00 1.11 C ATOM 1196 CD2 PHE A 77 19.593 10.252 2.591 1.00 0.98 C ATOM 1197 CE1 PHE A 77 17.975 11.780 4.290 1.00 1.36 C ATOM 1198 CE2 PHE A 77 19.467 9.901 3.940 1.00 1.23 C ATOM 1199 CZ PHE A 77 18.658 10.665 4.790 1.00 1.38 C ATOM 0 H PHE A 77 19.072 11.743 -1.860 1.00 0.57 H new ATOM 0 HA PHE A 77 17.903 9.993 0.121 1.00 0.53 H new ATOM 0 HB2 PHE A 77 20.033 11.466 0.267 1.00 0.60 H new ATOM 0 HB3 PHE A 77 18.957 12.826 0.521 1.00 0.60 H new ATOM 0 HD1 PHE A 77 17.575 12.993 2.556 1.00 1.11 H new ATOM 0 HD2 PHE A 77 20.217 9.663 1.936 1.00 0.98 H new ATOM 0 HE1 PHE A 77 17.351 12.369 4.945 1.00 1.36 H new ATOM 0 HE2 PHE A 77 19.994 9.041 4.325 1.00 1.23 H new ATOM 0 HZ PHE A 77 18.561 10.394 5.831 1.00 1.38 H new ATOM 1209 N HIS A 78 16.425 12.900 -0.441 1.00 0.51 N ATOM 1210 CA HIS A 78 15.130 13.609 -0.231 1.00 0.50 C ATOM 1211 C HIS A 78 14.007 12.839 -0.929 1.00 0.45 C ATOM 1212 O HIS A 78 13.050 12.421 -0.308 1.00 0.42 O ATOM 1213 CB HIS A 78 15.221 15.020 -0.814 1.00 0.68 C ATOM 1214 CG HIS A 78 14.134 15.877 -0.227 1.00 0.64 C ATOM 1215 ND1 HIS A 78 14.193 17.261 -0.246 1.00 0.65 N ATOM 1216 CD2 HIS A 78 12.954 15.560 0.400 1.00 0.65 C ATOM 1217 CE1 HIS A 78 13.079 17.722 0.352 1.00 0.68 C ATOM 1218 NE2 HIS A 78 12.289 16.728 0.765 1.00 0.66 N ATOM 0 H HIS A 78 17.113 13.408 -0.997 1.00 0.51 H new ATOM 0 HA HIS A 78 14.918 13.670 0.836 1.00 0.50 H new ATOM 0 HB2 HIS A 78 16.197 15.453 -0.596 1.00 0.68 H new ATOM 0 HB3 HIS A 78 15.124 14.983 -1.899 1.00 0.68 H new ATOM 0 HD2 HIS A 78 12.596 14.557 0.582 1.00 0.65 H new ATOM 0 HE1 HIS A 78 12.851 18.770 0.482 1.00 0.68 H new ATOM 0 HE2 HIS A 78 11.392 16.807 1.244 1.00 0.66 H new ATOM 1226 N ARG A 79 14.117 12.647 -2.215 1.00 0.45 N ATOM 1227 CA ARG A 79 13.056 11.905 -2.950 1.00 0.41 C ATOM 1228 C ARG A 79 12.713 10.622 -2.190 1.00 0.32 C ATOM 1229 O ARG A 79 11.585 10.173 -2.187 1.00 0.22 O ATOM 1230 CB ARG A 79 13.558 11.548 -4.351 1.00 0.50 C ATOM 1231 CG ARG A 79 12.439 11.776 -5.368 1.00 0.43 C ATOM 1232 CD ARG A 79 12.792 11.078 -6.682 1.00 0.68 C ATOM 1233 NE ARG A 79 11.945 11.628 -7.779 1.00 1.31 N ATOM 1234 CZ ARG A 79 12.266 11.406 -9.025 1.00 1.52 C ATOM 1235 NH1 ARG A 79 13.326 10.701 -9.310 1.00 1.27 N ATOM 1236 NH2 ARG A 79 11.525 11.888 -9.985 1.00 2.18 N ATOM 0 H ARG A 79 14.896 12.972 -2.788 1.00 0.45 H new ATOM 0 HA ARG A 79 12.166 12.530 -3.032 1.00 0.41 H new ATOM 0 HB2 ARG A 79 14.424 12.159 -4.605 1.00 0.50 H new ATOM 0 HB3 ARG A 79 13.882 10.508 -4.378 1.00 0.50 H new ATOM 0 HG2 ARG A 79 11.497 11.389 -4.980 1.00 0.43 H new ATOM 0 HG3 ARG A 79 12.299 12.844 -5.537 1.00 0.43 H new ATOM 0 HD2 ARG A 79 13.847 11.226 -6.913 1.00 0.68 H new ATOM 0 HD3 ARG A 79 12.634 10.004 -6.590 1.00 0.68 H new ATOM 0 HE ARG A 79 11.115 12.178 -7.556 1.00 1.31 H new ATOM 0 HH11 ARG A 79 13.904 10.323 -8.559 1.00 1.27 H new ATOM 0 HH12 ARG A 79 13.577 10.528 -10.283 1.00 1.27 H new ATOM 0 HH21 ARG A 79 10.695 12.438 -9.762 1.00 2.18 H new ATOM 0 HH22 ARG A 79 11.775 11.715 -10.959 1.00 2.18 H new ATOM 1250 N HIS A 80 13.678 10.030 -1.542 1.00 0.41 N ATOM 1251 CA HIS A 80 13.407 8.778 -0.781 1.00 0.33 C ATOM 1252 C HIS A 80 12.546 9.104 0.441 1.00 0.26 C ATOM 1253 O HIS A 80 11.539 8.469 0.690 1.00 0.24 O ATOM 1254 CB HIS A 80 14.730 8.162 -0.323 1.00 0.30 C ATOM 1255 CG HIS A 80 14.468 7.174 0.782 1.00 0.20 C ATOM 1256 ND1 HIS A 80 14.396 5.810 0.551 1.00 0.53 N ATOM 1257 CD2 HIS A 80 14.261 7.338 2.128 1.00 0.23 C ATOM 1258 CE1 HIS A 80 14.154 5.211 1.731 1.00 0.53 C ATOM 1259 NE2 HIS A 80 14.063 6.097 2.727 1.00 0.39 N ATOM 0 H HIS A 80 14.643 10.359 -1.507 1.00 0.41 H new ATOM 0 HA HIS A 80 12.880 8.070 -1.420 1.00 0.33 H new ATOM 0 HB2 HIS A 80 15.221 7.666 -1.160 1.00 0.30 H new ATOM 0 HB3 HIS A 80 15.406 8.943 0.026 1.00 0.30 H new ATOM 0 HD2 HIS A 80 14.253 8.286 2.645 1.00 0.23 H new ATOM 0 HE1 HIS A 80 14.046 4.144 1.858 1.00 0.53 H new ATOM 0 HE2 HIS A 80 13.887 5.905 3.713 1.00 0.39 H new ATOM 1267 N LYS A 81 12.932 10.089 1.205 1.00 0.25 N ATOM 1268 CA LYS A 81 12.134 10.454 2.410 1.00 0.25 C ATOM 1269 C LYS A 81 10.682 10.709 2.001 1.00 0.28 C ATOM 1270 O LYS A 81 9.760 10.163 2.574 1.00 0.30 O ATOM 1271 CB LYS A 81 12.716 11.720 3.042 1.00 0.32 C ATOM 1272 CG LYS A 81 13.942 11.357 3.882 1.00 0.10 C ATOM 1273 CD LYS A 81 13.508 11.063 5.319 1.00 0.81 C ATOM 1274 CE LYS A 81 14.534 10.143 5.984 1.00 1.23 C ATOM 1275 NZ LYS A 81 15.906 10.534 5.553 1.00 1.69 N ATOM 0 H LYS A 81 13.765 10.656 1.047 1.00 0.25 H new ATOM 0 HA LYS A 81 12.170 9.638 3.132 1.00 0.25 H new ATOM 0 HB2 LYS A 81 12.993 12.432 2.265 1.00 0.32 H new ATOM 0 HB3 LYS A 81 11.966 12.205 3.666 1.00 0.32 H new ATOM 0 HG2 LYS A 81 14.442 10.487 3.457 1.00 0.10 H new ATOM 0 HG3 LYS A 81 14.661 12.176 3.868 1.00 0.10 H new ATOM 0 HD2 LYS A 81 13.420 11.993 5.881 1.00 0.81 H new ATOM 0 HD3 LYS A 81 12.525 10.593 5.324 1.00 0.81 H new ATOM 0 HE2 LYS A 81 14.449 10.210 7.069 1.00 1.23 H new ATOM 0 HE3 LYS A 81 14.338 9.106 5.713 1.00 1.23 H new ATOM 0 HZ1 LYS A 81 16.590 10.267 6.289 1.00 1.69 H new ATOM 0 HZ2 LYS A 81 16.144 10.046 4.666 1.00 1.69 H new ATOM 0 HZ3 LYS A 81 15.943 11.562 5.403 1.00 1.69 H new ATOM 1289 N GLN A 82 10.472 11.535 1.013 1.00 0.28 N ATOM 1290 CA GLN A 82 9.080 11.825 0.568 1.00 0.31 C ATOM 1291 C GLN A 82 8.343 10.509 0.313 1.00 0.29 C ATOM 1292 O GLN A 82 7.155 10.397 0.542 1.00 0.43 O ATOM 1293 CB GLN A 82 9.118 12.647 -0.723 1.00 0.35 C ATOM 1294 CG GLN A 82 7.690 12.983 -1.157 1.00 0.86 C ATOM 1295 CD GLN A 82 7.569 14.491 -1.387 1.00 0.22 C ATOM 1296 OE1 GLN A 82 7.427 14.936 -2.509 1.00 0.76 O ATOM 1297 NE2 GLN A 82 7.619 15.302 -0.365 1.00 1.29 N ATOM 0 H GLN A 82 11.204 12.021 0.495 1.00 0.28 H new ATOM 0 HA GLN A 82 8.560 12.389 1.342 1.00 0.31 H new ATOM 0 HB2 GLN A 82 9.687 13.564 -0.566 1.00 0.35 H new ATOM 0 HB3 GLN A 82 9.626 12.087 -1.508 1.00 0.35 H new ATOM 0 HG2 GLN A 82 7.440 12.444 -2.071 1.00 0.86 H new ATOM 0 HG3 GLN A 82 6.981 12.663 -0.393 1.00 0.86 H new ATOM 0 HE21 GLN A 82 7.738 14.929 0.577 1.00 1.29 H new ATOM 0 HE22 GLN A 82 7.539 16.309 -0.508 1.00 1.29 H new ATOM 1306 N LEU A 83 9.039 9.509 -0.158 1.00 0.20 N ATOM 1307 CA LEU A 83 8.378 8.201 -0.425 1.00 0.19 C ATOM 1308 C LEU A 83 7.923 7.583 0.898 1.00 0.15 C ATOM 1309 O LEU A 83 6.753 7.332 1.108 1.00 0.13 O ATOM 1310 CB LEU A 83 9.370 7.261 -1.115 1.00 0.21 C ATOM 1311 CG LEU A 83 8.605 6.219 -1.935 1.00 0.23 C ATOM 1312 CD1 LEU A 83 9.601 5.297 -2.642 1.00 0.26 C ATOM 1313 CD2 LEU A 83 7.716 5.388 -1.008 1.00 0.19 C ATOM 0 H LEU A 83 10.036 9.542 -0.369 1.00 0.20 H new ATOM 0 HA LEU A 83 7.513 8.353 -1.071 1.00 0.19 H new ATOM 0 HB2 LEU A 83 10.036 7.831 -1.763 1.00 0.21 H new ATOM 0 HB3 LEU A 83 9.995 6.766 -0.372 1.00 0.21 H new ATOM 0 HG LEU A 83 7.985 6.725 -2.675 1.00 0.23 H new ATOM 0 HD11 LEU A 83 9.058 4.554 -3.226 1.00 0.26 H new ATOM 0 HD12 LEU A 83 10.236 5.886 -3.304 1.00 0.26 H new ATOM 0 HD13 LEU A 83 10.220 4.793 -1.900 1.00 0.26 H new ATOM 0 HD21 LEU A 83 7.172 4.647 -1.594 1.00 0.19 H new ATOM 0 HD22 LEU A 83 8.335 4.882 -0.267 1.00 0.19 H new ATOM 0 HD23 LEU A 83 7.006 6.042 -0.502 1.00 0.19 H new ATOM 1325 N ILE A 84 8.839 7.338 1.795 1.00 0.14 N ATOM 1326 CA ILE A 84 8.460 6.736 3.104 1.00 0.10 C ATOM 1327 C ILE A 84 7.257 7.488 3.681 1.00 0.10 C ATOM 1328 O ILE A 84 6.398 6.908 4.314 1.00 0.14 O ATOM 1329 CB ILE A 84 9.637 6.841 4.077 1.00 0.08 C ATOM 1330 CG1 ILE A 84 10.931 6.440 3.362 1.00 0.10 C ATOM 1331 CG2 ILE A 84 9.404 5.907 5.266 1.00 0.07 C ATOM 1332 CD1 ILE A 84 10.717 5.121 2.616 1.00 0.10 C ATOM 0 H ILE A 84 9.834 7.529 1.677 1.00 0.14 H new ATOM 0 HA ILE A 84 8.201 5.687 2.958 1.00 0.10 H new ATOM 0 HB ILE A 84 9.720 7.868 4.432 1.00 0.08 H new ATOM 0 HG12 ILE A 84 11.229 7.221 2.662 1.00 0.10 H new ATOM 0 HG13 ILE A 84 11.740 6.334 4.085 1.00 0.10 H new ATOM 0 HG21 ILE A 84 10.243 5.983 5.958 1.00 0.07 H new ATOM 0 HG22 ILE A 84 8.485 6.192 5.778 1.00 0.07 H new ATOM 0 HG23 ILE A 84 9.318 4.880 4.911 1.00 0.07 H new ATOM 0 HD11 ILE A 84 11.638 4.837 2.108 1.00 0.10 H new ATOM 0 HD12 ILE A 84 10.439 4.342 3.326 1.00 0.10 H new ATOM 0 HD13 ILE A 84 9.921 5.243 1.882 1.00 0.10 H new ATOM 1344 N ARG A 85 7.190 8.773 3.466 1.00 0.19 N ATOM 1345 CA ARG A 85 6.043 9.559 4.001 1.00 0.23 C ATOM 1346 C ARG A 85 4.754 9.126 3.300 1.00 0.28 C ATOM 1347 O ARG A 85 3.766 8.815 3.934 1.00 0.30 O ATOM 1348 CB ARG A 85 6.284 11.048 3.750 1.00 0.25 C ATOM 1349 CG ARG A 85 6.677 11.732 5.060 1.00 0.47 C ATOM 1350 CD ARG A 85 7.037 13.194 4.787 1.00 1.09 C ATOM 1351 NE ARG A 85 5.806 13.949 4.423 1.00 2.06 N ATOM 1352 CZ ARG A 85 5.812 15.253 4.436 1.00 2.77 C ATOM 1353 NH1 ARG A 85 6.898 15.897 4.767 1.00 2.52 N ATOM 1354 NH2 ARG A 85 4.733 15.915 4.118 1.00 4.04 N ATOM 0 H ARG A 85 7.880 9.312 2.943 1.00 0.19 H new ATOM 0 HA ARG A 85 5.950 9.381 5.072 1.00 0.23 H new ATOM 0 HB2 ARG A 85 7.072 11.179 3.009 1.00 0.25 H new ATOM 0 HB3 ARG A 85 5.384 11.509 3.343 1.00 0.25 H new ATOM 0 HG2 ARG A 85 5.854 11.676 5.772 1.00 0.47 H new ATOM 0 HG3 ARG A 85 7.525 11.216 5.511 1.00 0.47 H new ATOM 0 HD2 ARG A 85 7.500 13.636 5.669 1.00 1.09 H new ATOM 0 HD3 ARG A 85 7.766 13.255 3.979 1.00 1.09 H new ATOM 0 HE ARG A 85 4.958 13.446 4.163 1.00 2.06 H new ATOM 0 HH11 ARG A 85 7.742 15.380 5.015 1.00 2.52 H new ATOM 0 HH12 ARG A 85 6.903 16.917 4.777 1.00 2.52 H new ATOM 0 HH21 ARG A 85 3.884 15.412 3.859 1.00 4.04 H new ATOM 0 HH22 ARG A 85 4.739 16.935 4.129 1.00 4.04 H new ATOM 1368 N PHE A 86 4.757 9.101 1.996 1.00 0.31 N ATOM 1369 CA PHE A 86 3.531 8.688 1.255 1.00 0.36 C ATOM 1370 C PHE A 86 3.051 7.333 1.781 1.00 0.34 C ATOM 1371 O PHE A 86 1.893 7.155 2.101 1.00 0.40 O ATOM 1372 CB PHE A 86 3.849 8.573 -0.237 1.00 0.35 C ATOM 1373 CG PHE A 86 3.507 9.872 -0.927 1.00 0.39 C ATOM 1374 CD1 PHE A 86 2.169 10.223 -1.135 1.00 0.33 C ATOM 1375 CD2 PHE A 86 4.530 10.725 -1.358 1.00 0.49 C ATOM 1376 CE1 PHE A 86 1.851 11.426 -1.775 1.00 0.38 C ATOM 1377 CE2 PHE A 86 4.213 11.930 -1.999 1.00 0.54 C ATOM 1378 CZ PHE A 86 2.874 12.279 -2.207 1.00 0.48 C ATOM 0 H PHE A 86 5.555 9.349 1.411 1.00 0.31 H new ATOM 0 HA PHE A 86 2.749 9.433 1.402 1.00 0.36 H new ATOM 0 HB2 PHE A 86 4.905 8.341 -0.378 1.00 0.35 H new ATOM 0 HB3 PHE A 86 3.281 7.754 -0.679 1.00 0.35 H new ATOM 0 HD1 PHE A 86 1.381 9.565 -0.801 1.00 0.33 H new ATOM 0 HD2 PHE A 86 5.563 10.454 -1.197 1.00 0.49 H new ATOM 0 HE1 PHE A 86 0.818 11.696 -1.936 1.00 0.38 H new ATOM 0 HE2 PHE A 86 5.001 12.589 -2.332 1.00 0.54 H new ATOM 0 HZ PHE A 86 2.629 13.207 -2.701 1.00 0.48 H new ATOM 1388 N LEU A 87 3.933 6.376 1.872 1.00 0.26 N ATOM 1389 CA LEU A 87 3.528 5.034 2.377 1.00 0.26 C ATOM 1390 C LEU A 87 3.088 5.150 3.838 1.00 0.27 C ATOM 1391 O LEU A 87 2.024 4.699 4.213 1.00 0.34 O ATOM 1392 CB LEU A 87 4.713 4.071 2.276 1.00 0.25 C ATOM 1393 CG LEU A 87 4.621 3.280 0.969 1.00 0.80 C ATOM 1394 CD1 LEU A 87 5.998 2.713 0.619 1.00 0.64 C ATOM 1395 CD2 LEU A 87 3.627 2.127 1.133 1.00 1.37 C ATOM 0 H LEU A 87 4.917 6.465 1.618 1.00 0.26 H new ATOM 0 HA LEU A 87 2.700 4.655 1.777 1.00 0.26 H new ATOM 0 HB2 LEU A 87 5.650 4.626 2.312 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.714 3.389 3.126 1.00 0.25 H new ATOM 0 HG LEU A 87 4.282 3.941 0.171 1.00 0.80 H new ATOM 0 HD11 LEU A 87 5.934 2.149 -0.312 1.00 0.64 H new ATOM 0 HD12 LEU A 87 6.709 3.531 0.500 1.00 0.64 H new ATOM 0 HD13 LEU A 87 6.334 2.054 1.420 1.00 0.64 H new ATOM 0 HD21 LEU A 87 3.564 1.566 0.201 1.00 1.37 H new ATOM 0 HD22 LEU A 87 3.964 1.467 1.932 1.00 1.37 H new ATOM 0 HD23 LEU A 87 2.644 2.527 1.383 1.00 1.37 H new ATOM 1407 N LYS A 88 3.899 5.751 4.666 1.00 0.26 N ATOM 1408 CA LYS A 88 3.526 5.895 6.101 1.00 0.29 C ATOM 1409 C LYS A 88 2.155 6.568 6.207 1.00 0.30 C ATOM 1410 O LYS A 88 1.526 6.554 7.246 1.00 0.38 O ATOM 1411 CB LYS A 88 4.572 6.751 6.817 1.00 0.33 C ATOM 1412 CG LYS A 88 5.746 5.869 7.247 1.00 0.77 C ATOM 1413 CD LYS A 88 6.799 6.729 7.949 1.00 1.06 C ATOM 1414 CE LYS A 88 7.273 6.017 9.218 1.00 0.62 C ATOM 1415 NZ LYS A 88 6.131 5.872 10.163 1.00 0.96 N ATOM 0 H LYS A 88 4.803 6.148 4.410 1.00 0.26 H new ATOM 0 HA LYS A 88 3.484 4.910 6.566 1.00 0.29 H new ATOM 0 HB2 LYS A 88 4.922 7.544 6.156 1.00 0.33 H new ATOM 0 HB3 LYS A 88 4.128 7.234 7.688 1.00 0.33 H new ATOM 0 HG2 LYS A 88 5.398 5.083 7.917 1.00 0.77 H new ATOM 0 HG3 LYS A 88 6.183 5.377 6.378 1.00 0.77 H new ATOM 0 HD2 LYS A 88 7.643 6.907 7.282 1.00 1.06 H new ATOM 0 HD3 LYS A 88 6.380 7.703 8.200 1.00 1.06 H new ATOM 0 HE2 LYS A 88 7.678 5.037 8.968 1.00 0.62 H new ATOM 0 HE3 LYS A 88 8.077 6.584 9.687 1.00 0.62 H new ATOM 0 HZ1 LYS A 88 6.472 5.983 11.139 1.00 0.96 H new ATOM 0 HZ2 LYS A 88 5.418 6.601 9.960 1.00 0.96 H new ATOM 0 HZ3 LYS A 88 5.705 4.930 10.050 1.00 0.96 H new ATOM 1429 N ARG A 89 1.690 7.157 5.140 1.00 0.25 N ATOM 1430 CA ARG A 89 0.361 7.831 5.181 1.00 0.25 C ATOM 1431 C ARG A 89 -0.737 6.817 4.856 1.00 0.20 C ATOM 1432 O ARG A 89 -1.497 6.413 5.713 1.00 0.22 O ATOM 1433 CB ARG A 89 0.332 8.962 4.150 1.00 0.26 C ATOM 1434 CG ARG A 89 -0.882 9.858 4.408 1.00 0.26 C ATOM 1435 CD ARG A 89 -0.843 11.056 3.457 1.00 0.65 C ATOM 1436 NE ARG A 89 -0.356 12.258 4.192 1.00 1.12 N ATOM 1437 CZ ARG A 89 0.041 13.310 3.531 1.00 1.49 C ATOM 1438 NH1 ARG A 89 0.013 13.311 2.226 1.00 1.64 N ATOM 1439 NH2 ARG A 89 0.467 14.362 4.175 1.00 2.09 N ATOM 0 H ARG A 89 2.172 7.201 4.242 1.00 0.25 H new ATOM 0 HA ARG A 89 0.192 8.241 6.177 1.00 0.25 H new ATOM 0 HB2 ARG A 89 1.249 9.548 4.211 1.00 0.26 H new ATOM 0 HB3 ARG A 89 0.285 8.549 3.143 1.00 0.26 H new ATOM 0 HG2 ARG A 89 -1.802 9.293 4.261 1.00 0.26 H new ATOM 0 HG3 ARG A 89 -0.881 10.201 5.443 1.00 0.26 H new ATOM 0 HD2 ARG A 89 -0.188 10.842 2.613 1.00 0.65 H new ATOM 0 HD3 ARG A 89 -1.837 11.243 3.050 1.00 0.65 H new ATOM 0 HE ARG A 89 -0.333 12.258 5.212 1.00 1.12 H new ATOM 0 HH11 ARG A 89 -0.320 12.489 1.722 1.00 1.64 H new ATOM 0 HH12 ARG A 89 0.324 14.134 1.710 1.00 1.64 H new ATOM 0 HH21 ARG A 89 0.489 14.361 5.195 1.00 2.09 H new ATOM 0 HH22 ARG A 89 0.778 15.185 3.659 1.00 2.09 H new ATOM 1453 N LEU A 90 -0.826 6.400 3.621 1.00 0.16 N ATOM 1454 CA LEU A 90 -1.876 5.412 3.243 1.00 0.12 C ATOM 1455 C LEU A 90 -1.737 4.161 4.112 1.00 0.14 C ATOM 1456 O LEU A 90 -2.705 3.490 4.410 1.00 0.25 O ATOM 1457 CB LEU A 90 -1.710 5.031 1.771 1.00 0.11 C ATOM 1458 CG LEU A 90 -0.323 4.425 1.554 1.00 0.11 C ATOM 1459 CD1 LEU A 90 -0.446 2.908 1.398 1.00 0.13 C ATOM 1460 CD2 LEU A 90 0.298 5.017 0.287 1.00 0.14 C ATOM 0 H LEU A 90 -0.218 6.701 2.859 1.00 0.16 H new ATOM 0 HA LEU A 90 -2.861 5.852 3.396 1.00 0.12 H new ATOM 0 HB2 LEU A 90 -2.480 4.317 1.480 1.00 0.11 H new ATOM 0 HB3 LEU A 90 -1.837 5.911 1.140 1.00 0.11 H new ATOM 0 HG LEU A 90 0.310 4.652 2.412 1.00 0.11 H new ATOM 0 HD11 LEU A 90 0.543 2.477 1.243 1.00 0.13 H new ATOM 0 HD12 LEU A 90 -0.890 2.484 2.299 1.00 0.13 H new ATOM 0 HD13 LEU A 90 -1.079 2.681 0.540 1.00 0.13 H new ATOM 0 HD21 LEU A 90 1.287 4.586 0.131 1.00 0.14 H new ATOM 0 HD22 LEU A 90 -0.336 4.789 -0.570 1.00 0.14 H new ATOM 0 HD23 LEU A 90 0.386 6.098 0.396 1.00 0.14 H new ATOM 1472 N ASP A 91 -0.540 3.842 4.522 1.00 0.19 N ATOM 1473 CA ASP A 91 -0.340 2.635 5.371 1.00 0.20 C ATOM 1474 C ASP A 91 -1.336 2.656 6.533 1.00 0.19 C ATOM 1475 O ASP A 91 -1.895 1.644 6.903 1.00 0.20 O ATOM 1476 CB ASP A 91 1.087 2.630 5.924 1.00 0.21 C ATOM 1477 CG ASP A 91 1.240 1.491 6.933 1.00 0.27 C ATOM 1478 OD1 ASP A 91 0.894 0.372 6.590 1.00 1.21 O ATOM 1479 OD2 ASP A 91 1.702 1.755 8.030 1.00 1.00 O ATOM 0 H ASP A 91 0.308 4.366 4.305 1.00 0.19 H new ATOM 0 HA ASP A 91 -0.501 1.740 4.771 1.00 0.20 H new ATOM 0 HB2 ASP A 91 1.803 2.508 5.111 1.00 0.21 H new ATOM 0 HB3 ASP A 91 1.306 3.585 6.402 1.00 0.21 H new ATOM 1484 N ARG A 92 -1.564 3.804 7.110 1.00 0.19 N ATOM 1485 CA ARG A 92 -2.523 3.890 8.246 1.00 0.18 C ATOM 1486 C ARG A 92 -3.949 3.979 7.704 1.00 0.18 C ATOM 1487 O ARG A 92 -4.857 3.345 8.204 1.00 0.32 O ATOM 1488 CB ARG A 92 -2.216 5.135 9.080 1.00 0.18 C ATOM 1489 CG ARG A 92 -0.808 5.016 9.668 1.00 0.34 C ATOM 1490 CD ARG A 92 -0.867 5.166 11.191 1.00 0.73 C ATOM 1491 NE ARG A 92 -1.695 6.363 11.564 1.00 1.96 N ATOM 1492 CZ ARG A 92 -1.420 7.558 11.110 1.00 3.41 C ATOM 1493 NH1 ARG A 92 -0.306 7.788 10.473 1.00 4.36 N ATOM 1494 NH2 ARG A 92 -2.243 8.544 11.349 1.00 4.56 N ATOM 0 H ARG A 92 -1.127 4.686 6.843 1.00 0.19 H new ATOM 0 HA ARG A 92 -2.426 3.002 8.870 1.00 0.18 H new ATOM 0 HB2 ARG A 92 -2.289 6.029 8.460 1.00 0.18 H new ATOM 0 HB3 ARG A 92 -2.949 5.241 9.880 1.00 0.18 H new ATOM 0 HG2 ARG A 92 -0.375 4.051 9.405 1.00 0.34 H new ATOM 0 HG3 ARG A 92 -0.160 5.783 9.243 1.00 0.34 H new ATOM 0 HD2 ARG A 92 -1.294 4.267 11.636 1.00 0.73 H new ATOM 0 HD3 ARG A 92 0.141 5.273 11.592 1.00 0.73 H new ATOM 0 HE ARG A 92 -2.493 6.240 12.188 1.00 1.96 H new ATOM 0 HH11 ARG A 92 0.362 7.032 10.324 1.00 4.36 H new ATOM 0 HH12 ARG A 92 -0.102 8.724 10.123 1.00 4.36 H new ATOM 0 HH21 ARG A 92 -3.094 8.379 11.887 1.00 4.56 H new ATOM 0 HH22 ARG A 92 -2.035 9.479 10.998 1.00 4.56 H new ATOM 1508 N ASN A 93 -4.152 4.764 6.685 1.00 0.22 N ATOM 1509 CA ASN A 93 -5.518 4.899 6.106 1.00 0.22 C ATOM 1510 C ASN A 93 -6.102 3.508 5.847 1.00 0.23 C ATOM 1511 O ASN A 93 -7.241 3.233 6.170 1.00 0.26 O ATOM 1512 CB ASN A 93 -5.440 5.673 4.789 1.00 0.25 C ATOM 1513 CG ASN A 93 -4.622 6.950 4.994 1.00 0.27 C ATOM 1514 OD1 ASN A 93 -4.326 7.654 4.049 1.00 0.92 O ATOM 1515 ND2 ASN A 93 -4.243 7.280 6.198 1.00 1.01 N ATOM 0 H ASN A 93 -3.430 5.320 6.226 1.00 0.22 H new ATOM 0 HA ASN A 93 -6.158 5.437 6.806 1.00 0.22 H new ATOM 0 HB2 ASN A 93 -4.981 5.054 4.018 1.00 0.25 H new ATOM 0 HB3 ASN A 93 -6.443 5.923 4.442 1.00 0.25 H new ATOM 0 HD21 ASN A 93 -3.698 8.129 6.346 1.00 1.01 H new ATOM 0 HD22 ASN A 93 -4.492 6.689 6.991 1.00 1.01 H new ATOM 1522 N LEU A 94 -5.332 2.630 5.266 1.00 0.25 N ATOM 1523 CA LEU A 94 -5.845 1.259 4.986 1.00 0.27 C ATOM 1524 C LEU A 94 -6.184 0.565 6.308 1.00 0.24 C ATOM 1525 O LEU A 94 -7.318 0.211 6.561 1.00 0.24 O ATOM 1526 CB LEU A 94 -4.774 0.447 4.248 1.00 0.29 C ATOM 1527 CG LEU A 94 -4.362 1.168 2.956 1.00 0.36 C ATOM 1528 CD1 LEU A 94 -2.994 0.655 2.506 1.00 0.66 C ATOM 1529 CD2 LEU A 94 -5.389 0.894 1.848 1.00 0.45 C ATOM 0 H LEU A 94 -4.370 2.802 4.973 1.00 0.25 H new ATOM 0 HA LEU A 94 -6.739 1.327 4.366 1.00 0.27 H new ATOM 0 HB2 LEU A 94 -3.904 0.309 4.890 1.00 0.29 H new ATOM 0 HB3 LEU A 94 -5.157 -0.546 4.013 1.00 0.29 H new ATOM 0 HG LEU A 94 -4.316 2.240 3.147 1.00 0.36 H new ATOM 0 HD11 LEU A 94 -2.698 1.164 1.589 1.00 0.66 H new ATOM 0 HD12 LEU A 94 -2.257 0.852 3.285 1.00 0.66 H new ATOM 0 HD13 LEU A 94 -3.050 -0.418 2.323 1.00 0.66 H new ATOM 0 HD21 LEU A 94 -5.087 1.410 0.936 1.00 0.45 H new ATOM 0 HD22 LEU A 94 -5.442 -0.178 1.658 1.00 0.45 H new ATOM 0 HD23 LEU A 94 -6.368 1.255 2.162 1.00 0.45 H new ATOM 1541 N TRP A 95 -5.210 0.369 7.154 1.00 0.22 N ATOM 1542 CA TRP A 95 -5.477 -0.300 8.457 1.00 0.19 C ATOM 1543 C TRP A 95 -6.568 0.466 9.209 1.00 0.17 C ATOM 1544 O TRP A 95 -7.024 0.049 10.255 1.00 0.17 O ATOM 1545 CB TRP A 95 -4.197 -0.320 9.294 1.00 0.18 C ATOM 1546 CG TRP A 95 -4.501 -0.854 10.658 1.00 0.18 C ATOM 1547 CD1 TRP A 95 -4.836 -0.101 11.730 1.00 0.20 C ATOM 1548 CD2 TRP A 95 -4.505 -2.238 11.111 1.00 0.18 C ATOM 1549 NE1 TRP A 95 -5.045 -0.936 12.814 1.00 0.22 N ATOM 1550 CE2 TRP A 95 -4.853 -2.261 12.483 1.00 0.21 C ATOM 1551 CE3 TRP A 95 -4.243 -3.464 10.473 1.00 0.16 C ATOM 1552 CZ2 TRP A 95 -4.938 -3.458 13.196 1.00 0.22 C ATOM 1553 CZ3 TRP A 95 -4.327 -4.670 11.188 1.00 0.17 C ATOM 1554 CH2 TRP A 95 -4.675 -4.667 12.546 1.00 0.20 C ATOM 0 H TRP A 95 -4.240 0.644 6.998 1.00 0.22 H new ATOM 0 HA TRP A 95 -5.808 -1.323 8.279 1.00 0.19 H new ATOM 0 HB2 TRP A 95 -3.442 -0.939 8.809 1.00 0.18 H new ATOM 0 HB3 TRP A 95 -3.783 0.686 9.369 1.00 0.18 H new ATOM 0 HD1 TRP A 95 -4.926 0.975 11.739 1.00 0.20 H new ATOM 0 HE1 TRP A 95 -5.309 -0.611 13.744 1.00 0.22 H new ATOM 0 HE3 TRP A 95 -3.976 -3.478 9.427 1.00 0.16 H new ATOM 0 HZ2 TRP A 95 -5.205 -3.450 14.242 1.00 0.22 H new ATOM 0 HZ3 TRP A 95 -4.122 -5.605 10.689 1.00 0.17 H new ATOM 0 HH2 TRP A 95 -4.740 -5.598 13.089 1.00 0.20 H new ATOM 1565 N GLY A 96 -6.990 1.584 8.686 1.00 0.21 N ATOM 1566 CA GLY A 96 -8.050 2.375 9.371 1.00 0.26 C ATOM 1567 C GLY A 96 -9.401 1.679 9.194 1.00 0.22 C ATOM 1568 O GLY A 96 -9.970 1.160 10.134 1.00 0.20 O ATOM 0 H GLY A 96 -6.646 1.984 7.813 1.00 0.21 H new ATOM 0 HA2 GLY A 96 -7.816 2.475 10.431 1.00 0.26 H new ATOM 0 HA3 GLY A 96 -8.091 3.383 8.958 1.00 0.26 H new ATOM 1572 N LEU A 97 -9.919 1.666 7.997 1.00 0.30 N ATOM 1573 CA LEU A 97 -11.235 1.004 7.762 1.00 0.40 C ATOM 1574 C LEU A 97 -11.143 -0.474 8.146 1.00 0.37 C ATOM 1575 O LEU A 97 -12.106 -1.210 8.056 1.00 0.49 O ATOM 1576 CB LEU A 97 -11.632 1.135 6.284 1.00 0.56 C ATOM 1577 CG LEU A 97 -10.461 0.736 5.368 1.00 0.44 C ATOM 1578 CD1 LEU A 97 -10.194 -0.773 5.451 1.00 0.48 C ATOM 1579 CD2 LEU A 97 -10.811 1.103 3.924 1.00 0.64 C ATOM 0 H LEU A 97 -9.489 2.084 7.172 1.00 0.30 H new ATOM 0 HA LEU A 97 -11.994 1.489 8.376 1.00 0.40 H new ATOM 0 HB2 LEU A 97 -12.494 0.502 6.077 1.00 0.56 H new ATOM 0 HB3 LEU A 97 -11.932 2.161 6.073 1.00 0.56 H new ATOM 0 HG LEU A 97 -9.566 1.268 5.691 1.00 0.44 H new ATOM 0 HD11 LEU A 97 -9.363 -1.032 4.796 1.00 0.48 H new ATOM 0 HD12 LEU A 97 -9.945 -1.042 6.477 1.00 0.48 H new ATOM 0 HD13 LEU A 97 -11.085 -1.318 5.139 1.00 0.48 H new ATOM 0 HD21 LEU A 97 -9.987 0.824 3.268 1.00 0.64 H new ATOM 0 HD22 LEU A 97 -11.712 0.570 3.621 1.00 0.64 H new ATOM 0 HD23 LEU A 97 -10.984 2.177 3.853 1.00 0.64 H new ATOM 1591 N ALA A 98 -9.991 -0.917 8.572 1.00 0.27 N ATOM 1592 CA ALA A 98 -9.840 -2.347 8.960 1.00 0.39 C ATOM 1593 C ALA A 98 -10.507 -2.581 10.316 1.00 0.26 C ATOM 1594 O ALA A 98 -11.526 -3.235 10.413 1.00 0.28 O ATOM 1595 CB ALA A 98 -8.353 -2.696 9.056 1.00 0.54 C ATOM 0 H ALA A 98 -9.149 -0.350 8.668 1.00 0.27 H new ATOM 0 HA ALA A 98 -10.314 -2.979 8.208 1.00 0.39 H new ATOM 0 HB1 ALA A 98 -8.242 -3.743 9.340 1.00 0.54 H new ATOM 0 HB2 ALA A 98 -7.877 -2.530 8.089 1.00 0.54 H new ATOM 0 HB3 ALA A 98 -7.879 -2.064 9.807 1.00 0.54 H new ATOM 1601 N GLY A 99 -9.940 -2.052 11.366 1.00 0.24 N ATOM 1602 CA GLY A 99 -10.542 -2.244 12.715 1.00 0.27 C ATOM 1603 C GLY A 99 -10.303 -3.681 13.181 1.00 0.32 C ATOM 1604 O GLY A 99 -10.902 -4.144 14.131 1.00 0.59 O ATOM 0 H GLY A 99 -9.086 -1.495 11.347 1.00 0.24 H new ATOM 0 HA2 GLY A 99 -10.102 -1.543 13.424 1.00 0.27 H new ATOM 0 HA3 GLY A 99 -11.611 -2.035 12.681 1.00 0.27 H new ATOM 1608 N LEU A 100 -9.430 -4.391 12.520 1.00 0.20 N ATOM 1609 CA LEU A 100 -9.154 -5.797 12.925 1.00 0.20 C ATOM 1610 C LEU A 100 -7.981 -5.824 13.907 1.00 0.15 C ATOM 1611 O LEU A 100 -6.985 -5.154 13.719 1.00 0.32 O ATOM 1612 CB LEU A 100 -8.800 -6.625 11.687 1.00 0.27 C ATOM 1613 CG LEU A 100 -10.061 -7.301 11.146 1.00 0.36 C ATOM 1614 CD1 LEU A 100 -9.868 -7.630 9.665 1.00 0.46 C ATOM 1615 CD2 LEU A 100 -10.320 -8.593 11.925 1.00 0.37 C ATOM 0 H LEU A 100 -8.896 -4.058 11.717 1.00 0.20 H new ATOM 0 HA LEU A 100 -10.039 -6.217 13.403 1.00 0.20 H new ATOM 0 HB2 LEU A 100 -8.361 -5.985 10.922 1.00 0.27 H new ATOM 0 HB3 LEU A 100 -8.052 -7.376 11.941 1.00 0.27 H new ATOM 0 HG LEU A 100 -10.912 -6.629 11.261 1.00 0.36 H new ATOM 0 HD11 LEU A 100 -10.766 -8.112 9.279 1.00 0.46 H new ATOM 0 HD12 LEU A 100 -9.682 -6.711 9.109 1.00 0.46 H new ATOM 0 HD13 LEU A 100 -9.018 -8.302 9.549 1.00 0.46 H new ATOM 0 HD21 LEU A 100 -11.218 -9.076 11.541 1.00 0.37 H new ATOM 0 HD22 LEU A 100 -9.469 -9.265 11.809 1.00 0.37 H new ATOM 0 HD23 LEU A 100 -10.457 -8.360 12.981 1.00 0.37 H new ATOM 1627 N ASN A 101 -8.091 -6.594 14.956 1.00 0.13 N ATOM 1628 CA ASN A 101 -6.982 -6.662 15.948 1.00 0.18 C ATOM 1629 C ASN A 101 -6.042 -7.814 15.584 1.00 0.16 C ATOM 1630 O ASN A 101 -4.885 -7.610 15.276 1.00 0.19 O ATOM 1631 CB ASN A 101 -7.560 -6.898 17.344 1.00 0.33 C ATOM 1632 CG ASN A 101 -6.553 -6.439 18.400 1.00 1.22 C ATOM 1633 OD1 ASN A 101 -5.567 -7.106 18.646 1.00 2.32 O ATOM 1634 ND2 ASN A 101 -6.759 -5.320 19.037 1.00 1.33 N ATOM 0 H ASN A 101 -8.900 -7.178 15.168 1.00 0.13 H new ATOM 0 HA ASN A 101 -6.428 -5.723 15.938 1.00 0.18 H new ATOM 0 HB2 ASN A 101 -8.496 -6.352 17.458 1.00 0.33 H new ATOM 0 HB3 ASN A 101 -7.789 -7.955 17.480 1.00 0.33 H new ATOM 0 HD21 ASN A 101 -6.093 -5.004 19.742 1.00 1.33 H new ATOM 0 HD22 ASN A 101 -7.586 -4.760 18.830 1.00 1.33 H new ATOM 1641 N SER A 102 -6.530 -9.023 15.617 1.00 0.12 N ATOM 1642 CA SER A 102 -5.664 -10.186 15.273 1.00 0.11 C ATOM 1643 C SER A 102 -5.758 -10.465 13.772 1.00 0.09 C ATOM 1644 O SER A 102 -6.834 -10.556 13.214 1.00 0.17 O ATOM 1645 CB SER A 102 -6.131 -11.418 16.050 1.00 0.22 C ATOM 1646 OG SER A 102 -5.378 -12.549 15.632 1.00 1.37 O ATOM 0 H SER A 102 -7.491 -9.256 15.867 1.00 0.12 H new ATOM 0 HA SER A 102 -4.631 -9.960 15.537 1.00 0.11 H new ATOM 0 HB2 SER A 102 -6.004 -11.257 17.121 1.00 0.22 H new ATOM 0 HB3 SER A 102 -7.193 -11.590 15.878 1.00 0.22 H new ATOM 0 HG SER A 102 -5.673 -13.340 16.129 1.00 1.37 H new ATOM 1652 N CYS A 103 -4.640 -10.601 13.113 1.00 0.09 N ATOM 1653 CA CYS A 103 -4.667 -10.874 11.648 1.00 0.20 C ATOM 1654 C CYS A 103 -3.300 -11.408 11.197 1.00 0.23 C ATOM 1655 O CYS A 103 -2.591 -10.735 10.477 1.00 0.31 O ATOM 1656 CB CYS A 103 -4.970 -9.574 10.900 1.00 0.27 C ATOM 1657 SG CYS A 103 -4.753 -9.836 9.123 1.00 0.25 S ATOM 0 H CYS A 103 -3.709 -10.535 13.525 1.00 0.09 H new ATOM 0 HA CYS A 103 -5.436 -11.615 11.431 1.00 0.20 H new ATOM 0 HB2 CYS A 103 -5.990 -9.251 11.109 1.00 0.27 H new ATOM 0 HB3 CYS A 103 -4.307 -8.780 11.245 1.00 0.27 H new ATOM 1662 N PRO A 104 -2.965 -12.600 11.634 1.00 0.18 N ATOM 1663 CA PRO A 104 -1.678 -13.224 11.276 1.00 0.21 C ATOM 1664 C PRO A 104 -1.606 -13.460 9.766 1.00 0.33 C ATOM 1665 O PRO A 104 -2.605 -13.707 9.118 1.00 0.42 O ATOM 1666 CB PRO A 104 -1.662 -14.559 12.032 1.00 0.14 C ATOM 1667 CG PRO A 104 -2.993 -14.673 12.817 1.00 0.15 C ATOM 1668 CD PRO A 104 -3.827 -13.419 12.512 1.00 0.16 C ATOM 0 HA PRO A 104 -0.826 -12.596 11.539 1.00 0.21 H new ATOM 0 HB2 PRO A 104 -1.556 -15.391 11.336 1.00 0.14 H new ATOM 0 HB3 PRO A 104 -0.812 -14.603 12.713 1.00 0.14 H new ATOM 0 HG2 PRO A 104 -3.534 -15.572 12.523 1.00 0.15 H new ATOM 0 HG3 PRO A 104 -2.800 -14.753 13.887 1.00 0.15 H new ATOM 0 HD2 PRO A 104 -4.764 -13.677 12.018 1.00 0.16 H new ATOM 0 HD3 PRO A 104 -4.085 -12.883 13.425 1.00 0.16 H new ATOM 1676 N VAL A 105 -0.433 -13.388 9.199 1.00 0.36 N ATOM 1677 CA VAL A 105 -0.297 -13.609 7.732 1.00 0.48 C ATOM 1678 C VAL A 105 0.031 -15.079 7.466 1.00 0.45 C ATOM 1679 O VAL A 105 0.750 -15.710 8.214 1.00 0.26 O ATOM 1680 CB VAL A 105 0.829 -12.729 7.185 1.00 0.56 C ATOM 1681 CG1 VAL A 105 2.151 -13.122 7.847 1.00 0.44 C ATOM 1682 CG2 VAL A 105 0.939 -12.927 5.672 1.00 0.68 C ATOM 0 H VAL A 105 0.438 -13.185 9.689 1.00 0.36 H new ATOM 0 HA VAL A 105 -1.233 -13.350 7.238 1.00 0.48 H new ATOM 0 HB VAL A 105 0.611 -11.683 7.401 1.00 0.56 H new ATOM 0 HG11 VAL A 105 2.953 -12.495 7.458 1.00 0.44 H new ATOM 0 HG12 VAL A 105 2.073 -12.983 8.925 1.00 0.44 H new ATOM 0 HG13 VAL A 105 2.370 -14.168 7.630 1.00 0.44 H new ATOM 0 HG21 VAL A 105 1.741 -12.301 5.280 1.00 0.68 H new ATOM 0 HG22 VAL A 105 1.158 -13.973 5.457 1.00 0.68 H new ATOM 0 HG23 VAL A 105 -0.003 -12.648 5.199 1.00 0.68 H new ATOM 1692 N LYS A 106 -0.491 -15.631 6.404 1.00 0.69 N ATOM 1693 CA LYS A 106 -0.210 -17.061 6.093 1.00 0.69 C ATOM 1694 C LYS A 106 1.002 -17.149 5.164 1.00 0.68 C ATOM 1695 O LYS A 106 2.036 -16.563 5.418 1.00 0.60 O ATOM 1696 CB LYS A 106 -1.427 -17.682 5.404 1.00 0.71 C ATOM 1697 CG LYS A 106 -1.312 -19.208 5.442 1.00 0.91 C ATOM 1698 CD LYS A 106 -1.917 -19.797 4.167 1.00 1.03 C ATOM 1699 CE LYS A 106 -1.925 -21.324 4.264 1.00 1.49 C ATOM 1700 NZ LYS A 106 -3.311 -21.797 4.541 1.00 1.81 N ATOM 0 H LYS A 106 -1.099 -15.153 5.739 1.00 0.69 H new ATOM 0 HA LYS A 106 -0.002 -17.601 7.017 1.00 0.69 H new ATOM 0 HB2 LYS A 106 -2.342 -17.363 5.902 1.00 0.71 H new ATOM 0 HB3 LYS A 106 -1.489 -17.337 4.372 1.00 0.71 H new ATOM 0 HG2 LYS A 106 -0.266 -19.502 5.531 1.00 0.91 H new ATOM 0 HG3 LYS A 106 -1.829 -19.601 6.318 1.00 0.91 H new ATOM 0 HD2 LYS A 106 -2.932 -19.426 4.028 1.00 1.03 H new ATOM 0 HD3 LYS A 106 -1.340 -19.480 3.298 1.00 1.03 H new ATOM 0 HE2 LYS A 106 -1.560 -21.760 3.334 1.00 1.49 H new ATOM 0 HE3 LYS A 106 -1.252 -21.652 5.056 1.00 1.49 H new ATOM 0 HZ1 LYS A 106 -3.317 -22.835 4.607 1.00 1.81 H new ATOM 0 HZ2 LYS A 106 -3.643 -21.391 5.439 1.00 1.81 H new ATOM 0 HZ3 LYS A 106 -3.941 -21.496 3.771 1.00 1.81 H new ATOM 1714 N GLU A 107 0.885 -17.879 4.088 1.00 0.81 N ATOM 1715 CA GLU A 107 2.031 -18.006 3.143 1.00 0.83 C ATOM 1716 C GLU A 107 1.910 -16.942 2.050 1.00 0.43 C ATOM 1717 O GLU A 107 1.032 -16.103 2.080 1.00 0.81 O ATOM 1718 CB GLU A 107 2.016 -19.396 2.506 1.00 1.20 C ATOM 1719 CG GLU A 107 2.346 -20.448 3.566 1.00 1.97 C ATOM 1720 CD GLU A 107 3.705 -21.079 3.255 1.00 1.53 C ATOM 1721 OE1 GLU A 107 3.817 -21.715 2.221 1.00 2.38 O ATOM 1722 OE2 GLU A 107 4.610 -20.914 4.056 1.00 0.76 O ATOM 0 H GLU A 107 0.045 -18.393 3.823 1.00 0.81 H new ATOM 0 HA GLU A 107 2.966 -17.866 3.685 1.00 0.83 H new ATOM 0 HB2 GLU A 107 1.037 -19.598 2.071 1.00 1.20 H new ATOM 0 HB3 GLU A 107 2.741 -19.443 1.694 1.00 1.20 H new ATOM 0 HG2 GLU A 107 2.364 -19.990 4.555 1.00 1.97 H new ATOM 0 HG3 GLU A 107 1.573 -21.216 3.584 1.00 1.97 H new ATOM 1729 N ALA A 108 2.788 -16.969 1.084 1.00 0.47 N ATOM 1730 CA ALA A 108 2.722 -15.959 -0.010 1.00 0.70 C ATOM 1731 C ALA A 108 3.928 -16.132 -0.936 1.00 0.63 C ATOM 1732 O ALA A 108 4.971 -16.604 -0.530 1.00 0.61 O ATOM 1733 CB ALA A 108 2.739 -14.553 0.593 1.00 1.38 C ATOM 0 H ALA A 108 3.547 -17.646 1.005 1.00 0.47 H new ATOM 0 HA ALA A 108 1.803 -16.099 -0.580 1.00 0.70 H new ATOM 0 HB1 ALA A 108 2.691 -13.814 -0.206 1.00 1.38 H new ATOM 0 HB2 ALA A 108 1.881 -14.430 1.253 1.00 1.38 H new ATOM 0 HB3 ALA A 108 3.658 -14.412 1.162 1.00 1.38 H new ATOM 1739 N ASP A 109 3.794 -15.753 -2.177 1.00 0.63 N ATOM 1740 CA ASP A 109 4.933 -15.897 -3.126 1.00 0.59 C ATOM 1741 C ASP A 109 5.752 -14.604 -3.139 1.00 0.49 C ATOM 1742 O ASP A 109 6.325 -14.211 -2.143 1.00 0.52 O ATOM 1743 CB ASP A 109 4.394 -16.173 -4.531 1.00 0.61 C ATOM 1744 CG ASP A 109 3.587 -17.473 -4.523 1.00 0.74 C ATOM 1745 OD1 ASP A 109 3.546 -18.115 -3.485 1.00 2.23 O ATOM 1746 OD2 ASP A 109 3.025 -17.806 -5.553 1.00 0.70 O ATOM 0 H ASP A 109 2.945 -15.350 -2.575 1.00 0.63 H new ATOM 0 HA ASP A 109 5.567 -16.726 -2.810 1.00 0.59 H new ATOM 0 HB2 ASP A 109 3.766 -15.345 -4.860 1.00 0.61 H new ATOM 0 HB3 ASP A 109 5.219 -16.249 -5.240 1.00 0.61 H new ATOM 1751 N GLN A 110 5.811 -13.940 -4.261 1.00 0.41 N ATOM 1752 CA GLN A 110 6.592 -12.673 -4.336 1.00 0.34 C ATOM 1753 C GLN A 110 5.929 -11.723 -5.335 1.00 0.33 C ATOM 1754 O GLN A 110 5.210 -12.142 -6.221 1.00 0.40 O ATOM 1755 CB GLN A 110 8.020 -12.980 -4.794 1.00 0.25 C ATOM 1756 CG GLN A 110 9.001 -12.641 -3.670 1.00 0.80 C ATOM 1757 CD GLN A 110 10.412 -13.068 -4.079 1.00 0.80 C ATOM 1758 OE1 GLN A 110 11.228 -13.391 -3.239 1.00 1.49 O ATOM 1759 NE2 GLN A 110 10.736 -13.085 -5.342 1.00 1.44 N ATOM 0 H GLN A 110 5.353 -14.220 -5.128 1.00 0.41 H new ATOM 0 HA GLN A 110 6.619 -12.204 -3.352 1.00 0.34 H new ATOM 0 HB2 GLN A 110 8.108 -14.033 -5.063 1.00 0.25 H new ATOM 0 HB3 GLN A 110 8.259 -12.402 -5.686 1.00 0.25 H new ATOM 0 HG2 GLN A 110 8.979 -11.571 -3.464 1.00 0.80 H new ATOM 0 HG3 GLN A 110 8.708 -13.149 -2.751 1.00 0.80 H new ATOM 0 HE21 GLN A 110 10.051 -12.814 -6.048 1.00 1.44 H new ATOM 0 HE22 GLN A 110 11.674 -13.369 -5.624 1.00 1.44 H new ATOM 1768 N SER A 111 6.164 -10.447 -5.200 1.00 0.33 N ATOM 1769 CA SER A 111 5.545 -9.472 -6.144 1.00 0.40 C ATOM 1770 C SER A 111 6.393 -8.200 -6.190 1.00 0.30 C ATOM 1771 O SER A 111 7.078 -7.864 -5.244 1.00 0.26 O ATOM 1772 CB SER A 111 4.134 -9.127 -5.667 1.00 0.61 C ATOM 1773 OG SER A 111 4.132 -9.009 -4.251 1.00 0.71 O ATOM 0 H SER A 111 6.757 -10.037 -4.478 1.00 0.33 H new ATOM 0 HA SER A 111 5.494 -9.912 -7.140 1.00 0.40 H new ATOM 0 HB2 SER A 111 3.802 -8.193 -6.122 1.00 0.61 H new ATOM 0 HB3 SER A 111 3.433 -9.901 -5.980 1.00 0.61 H new ATOM 0 HG SER A 111 3.566 -8.254 -3.986 1.00 0.71 H new ATOM 1779 N THR A 112 6.353 -7.489 -7.283 1.00 0.31 N ATOM 1780 CA THR A 112 7.156 -6.238 -7.389 1.00 0.24 C ATOM 1781 C THR A 112 6.342 -5.062 -6.847 1.00 0.23 C ATOM 1782 O THR A 112 5.174 -4.914 -7.146 1.00 0.21 O ATOM 1783 CB THR A 112 7.510 -5.981 -8.856 1.00 0.32 C ATOM 1784 OG1 THR A 112 6.370 -6.230 -9.666 1.00 0.45 O ATOM 1785 CG2 THR A 112 8.651 -6.907 -9.277 1.00 0.24 C ATOM 0 H THR A 112 5.799 -7.720 -8.108 1.00 0.31 H new ATOM 0 HA THR A 112 8.072 -6.344 -6.808 1.00 0.24 H new ATOM 0 HB THR A 112 7.824 -4.944 -8.979 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.594 -6.064 -10.606 1.00 0.45 H new ATOM 0 HG21 THR A 112 8.902 -6.723 -10.322 1.00 0.24 H new ATOM 0 HG22 THR A 112 9.525 -6.714 -8.654 1.00 0.24 H new ATOM 0 HG23 THR A 112 8.341 -7.945 -9.156 1.00 0.24 H new ATOM 1793 N LEU A 113 6.948 -4.224 -6.052 1.00 0.27 N ATOM 1794 CA LEU A 113 6.208 -3.058 -5.492 1.00 0.27 C ATOM 1795 C LEU A 113 5.441 -2.357 -6.617 1.00 0.27 C ATOM 1796 O LEU A 113 4.409 -1.756 -6.397 1.00 0.28 O ATOM 1797 CB LEU A 113 7.206 -2.080 -4.861 1.00 0.27 C ATOM 1798 CG LEU A 113 6.456 -0.927 -4.180 1.00 0.21 C ATOM 1799 CD1 LEU A 113 5.605 -1.461 -3.024 1.00 0.24 C ATOM 1800 CD2 LEU A 113 7.471 0.081 -3.635 1.00 0.32 C ATOM 0 H LEU A 113 7.924 -4.296 -5.766 1.00 0.27 H new ATOM 0 HA LEU A 113 5.505 -3.399 -4.732 1.00 0.27 H new ATOM 0 HB2 LEU A 113 7.826 -2.601 -4.132 1.00 0.27 H new ATOM 0 HB3 LEU A 113 7.875 -1.687 -5.626 1.00 0.27 H new ATOM 0 HG LEU A 113 5.805 -0.445 -4.909 1.00 0.21 H new ATOM 0 HD11 LEU A 113 5.078 -0.634 -2.548 1.00 0.24 H new ATOM 0 HD12 LEU A 113 4.881 -2.181 -3.407 1.00 0.24 H new ATOM 0 HD13 LEU A 113 6.250 -1.949 -2.293 1.00 0.24 H new ATOM 0 HD21 LEU A 113 6.944 0.902 -3.150 1.00 0.32 H new ATOM 0 HD22 LEU A 113 8.120 -0.411 -2.911 1.00 0.32 H new ATOM 0 HD23 LEU A 113 8.073 0.471 -4.456 1.00 0.32 H new ATOM 1812 N GLU A 114 5.939 -2.429 -7.822 1.00 0.28 N ATOM 1813 CA GLU A 114 5.238 -1.767 -8.958 1.00 0.28 C ATOM 1814 C GLU A 114 3.959 -2.539 -9.289 1.00 0.28 C ATOM 1815 O GLU A 114 2.864 -2.089 -9.016 1.00 0.27 O ATOM 1816 CB GLU A 114 6.155 -1.751 -10.183 1.00 0.28 C ATOM 1817 CG GLU A 114 5.587 -0.795 -11.233 1.00 0.31 C ATOM 1818 CD GLU A 114 6.305 -1.014 -12.566 1.00 0.54 C ATOM 1819 OE1 GLU A 114 7.415 -0.531 -12.705 1.00 0.65 O ATOM 1820 OE2 GLU A 114 5.732 -1.664 -13.425 1.00 1.65 O ATOM 0 H GLU A 114 6.800 -2.917 -8.068 1.00 0.28 H new ATOM 0 HA GLU A 114 4.983 -0.744 -8.681 1.00 0.28 H new ATOM 0 HB2 GLU A 114 7.158 -1.437 -9.895 1.00 0.28 H new ATOM 0 HB3 GLU A 114 6.242 -2.755 -10.599 1.00 0.28 H new ATOM 0 HG2 GLU A 114 4.517 -0.964 -11.353 1.00 0.31 H new ATOM 0 HG3 GLU A 114 5.712 0.237 -10.906 1.00 0.31 H new ATOM 1827 N ASN A 115 4.088 -3.699 -9.873 1.00 0.30 N ATOM 1828 CA ASN A 115 2.878 -4.496 -10.218 1.00 0.30 C ATOM 1829 C ASN A 115 1.966 -4.590 -8.994 1.00 0.30 C ATOM 1830 O ASN A 115 0.771 -4.387 -9.080 1.00 0.31 O ATOM 1831 CB ASN A 115 3.299 -5.903 -10.650 1.00 0.33 C ATOM 1832 CG ASN A 115 3.973 -5.837 -12.022 1.00 0.32 C ATOM 1833 OD1 ASN A 115 3.958 -6.797 -12.766 1.00 1.03 O ATOM 1834 ND2 ASN A 115 4.569 -4.735 -12.390 1.00 0.91 N ATOM 0 H ASN A 115 4.978 -4.128 -10.126 1.00 0.30 H new ATOM 0 HA ASN A 115 2.343 -4.011 -11.035 1.00 0.30 H new ATOM 0 HB2 ASN A 115 3.984 -6.330 -9.917 1.00 0.33 H new ATOM 0 HB3 ASN A 115 2.428 -6.557 -10.692 1.00 0.33 H new ATOM 0 HD21 ASN A 115 5.022 -4.680 -13.302 1.00 0.91 H new ATOM 0 HD22 ASN A 115 4.582 -3.929 -11.765 1.00 0.91 H new ATOM 1841 N PHE A 116 2.521 -4.897 -7.854 1.00 0.32 N ATOM 1842 CA PHE A 116 1.687 -5.002 -6.624 1.00 0.31 C ATOM 1843 C PHE A 116 0.802 -3.761 -6.502 1.00 0.29 C ATOM 1844 O PHE A 116 -0.377 -3.851 -6.222 1.00 0.32 O ATOM 1845 CB PHE A 116 2.598 -5.103 -5.398 1.00 0.32 C ATOM 1846 CG PHE A 116 1.755 -5.139 -4.146 1.00 0.33 C ATOM 1847 CD1 PHE A 116 1.341 -3.944 -3.545 1.00 0.37 C ATOM 1848 CD2 PHE A 116 1.389 -6.368 -3.584 1.00 0.31 C ATOM 1849 CE1 PHE A 116 0.560 -3.979 -2.384 1.00 0.39 C ATOM 1850 CE2 PHE A 116 0.607 -6.403 -2.423 1.00 0.33 C ATOM 1851 CZ PHE A 116 0.194 -5.208 -1.823 1.00 0.37 C ATOM 0 H PHE A 116 3.516 -5.080 -7.721 1.00 0.32 H new ATOM 0 HA PHE A 116 1.059 -5.891 -6.684 1.00 0.31 H new ATOM 0 HB2 PHE A 116 3.213 -6.001 -5.461 1.00 0.32 H new ATOM 0 HB3 PHE A 116 3.279 -4.252 -5.366 1.00 0.32 H new ATOM 0 HD1 PHE A 116 1.624 -2.996 -3.977 1.00 0.37 H new ATOM 0 HD2 PHE A 116 1.710 -7.290 -4.046 1.00 0.31 H new ATOM 0 HE1 PHE A 116 0.240 -3.057 -1.921 1.00 0.39 H new ATOM 0 HE2 PHE A 116 0.323 -7.351 -1.991 1.00 0.33 H new ATOM 0 HZ PHE A 116 -0.408 -5.234 -0.926 1.00 0.37 H new ATOM 1861 N LEU A 117 1.361 -2.599 -6.709 1.00 0.25 N ATOM 1862 CA LEU A 117 0.552 -1.353 -6.606 1.00 0.23 C ATOM 1863 C LEU A 117 -0.465 -1.311 -7.747 1.00 0.26 C ATOM 1864 O LEU A 117 -1.524 -0.726 -7.628 1.00 0.32 O ATOM 1865 CB LEU A 117 1.476 -0.137 -6.701 1.00 0.19 C ATOM 1866 CG LEU A 117 1.847 0.338 -5.294 1.00 0.23 C ATOM 1867 CD1 LEU A 117 3.117 1.189 -5.361 1.00 0.15 C ATOM 1868 CD2 LEU A 117 0.705 1.179 -4.716 1.00 0.29 C ATOM 0 H LEU A 117 2.344 -2.460 -6.945 1.00 0.25 H new ATOM 0 HA LEU A 117 0.027 -1.337 -5.651 1.00 0.23 H new ATOM 0 HB2 LEU A 117 2.377 -0.395 -7.258 1.00 0.19 H new ATOM 0 HB3 LEU A 117 0.982 0.666 -7.248 1.00 0.19 H new ATOM 0 HG LEU A 117 2.019 -0.529 -4.656 1.00 0.23 H new ATOM 0 HD11 LEU A 117 3.381 1.527 -4.359 1.00 0.15 H new ATOM 0 HD12 LEU A 117 3.933 0.593 -5.770 1.00 0.15 H new ATOM 0 HD13 LEU A 117 2.942 2.053 -6.002 1.00 0.15 H new ATOM 0 HD21 LEU A 117 0.972 1.516 -3.714 1.00 0.29 H new ATOM 0 HD22 LEU A 117 0.531 2.044 -5.355 1.00 0.29 H new ATOM 0 HD23 LEU A 117 -0.202 0.576 -4.666 1.00 0.29 H new ATOM 1880 N GLU A 118 -0.153 -1.927 -8.855 1.00 0.23 N ATOM 1881 CA GLU A 118 -1.103 -1.922 -10.004 1.00 0.26 C ATOM 1882 C GLU A 118 -2.328 -2.771 -9.657 1.00 0.28 C ATOM 1883 O GLU A 118 -3.443 -2.289 -9.637 1.00 0.26 O ATOM 1884 CB GLU A 118 -0.412 -2.505 -11.238 1.00 0.27 C ATOM 1885 CG GLU A 118 -1.164 -2.069 -12.497 1.00 0.27 C ATOM 1886 CD GLU A 118 -0.539 -0.785 -13.046 1.00 0.88 C ATOM 1887 OE1 GLU A 118 -0.131 0.040 -12.245 1.00 2.10 O ATOM 1888 OE2 GLU A 118 -0.480 -0.649 -14.256 1.00 1.21 O ATOM 0 H GLU A 118 0.718 -2.433 -9.014 1.00 0.23 H new ATOM 0 HA GLU A 118 -1.417 -0.899 -10.212 1.00 0.26 H new ATOM 0 HB2 GLU A 118 0.623 -2.165 -11.283 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -0.388 -3.593 -11.174 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -1.123 -2.857 -13.249 1.00 0.27 H new ATOM 0 HG3 GLU A 118 -2.216 -1.904 -12.266 1.00 0.27 H new ATOM 1895 N ARG A 119 -2.131 -4.032 -9.383 1.00 0.33 N ATOM 1896 CA ARG A 119 -3.286 -4.908 -9.038 1.00 0.36 C ATOM 1897 C ARG A 119 -4.025 -4.326 -7.832 1.00 0.35 C ATOM 1898 O ARG A 119 -5.237 -4.377 -7.750 1.00 0.35 O ATOM 1899 CB ARG A 119 -2.778 -6.311 -8.697 1.00 0.38 C ATOM 1900 CG ARG A 119 -1.762 -6.224 -7.556 1.00 0.32 C ATOM 1901 CD ARG A 119 -1.099 -7.588 -7.358 1.00 0.47 C ATOM 1902 NE ARG A 119 -0.185 -7.867 -8.502 1.00 1.33 N ATOM 1903 CZ ARG A 119 0.703 -8.819 -8.411 1.00 1.67 C ATOM 1904 NH1 ARG A 119 0.791 -9.527 -7.318 1.00 1.17 N ATOM 1905 NH2 ARG A 119 1.503 -9.063 -9.413 1.00 2.98 N ATOM 0 H ARG A 119 -1.221 -4.493 -9.383 1.00 0.33 H new ATOM 0 HA ARG A 119 -3.966 -4.964 -9.888 1.00 0.36 H new ATOM 0 HB2 ARG A 119 -3.612 -6.951 -8.407 1.00 0.38 H new ATOM 0 HB3 ARG A 119 -2.317 -6.765 -9.574 1.00 0.38 H new ATOM 0 HG2 ARG A 119 -1.008 -5.471 -7.783 1.00 0.32 H new ATOM 0 HG3 ARG A 119 -2.257 -5.912 -6.637 1.00 0.32 H new ATOM 0 HD2 ARG A 119 -0.541 -7.601 -6.422 1.00 0.47 H new ATOM 0 HD3 ARG A 119 -1.859 -8.367 -7.287 1.00 0.47 H new ATOM 0 HE ARG A 119 -0.254 -7.314 -9.356 1.00 1.33 H new ATOM 0 HH11 ARG A 119 0.166 -9.336 -6.535 1.00 1.17 H new ATOM 0 HH12 ARG A 119 1.485 -10.271 -7.247 1.00 1.17 H new ATOM 0 HH21 ARG A 119 1.434 -8.510 -10.267 1.00 2.98 H new ATOM 0 HH22 ARG A 119 2.197 -9.807 -9.342 1.00 2.98 H new ATOM 1919 N LEU A 120 -3.307 -3.772 -6.893 1.00 0.34 N ATOM 1920 CA LEU A 120 -3.970 -3.187 -5.694 1.00 0.33 C ATOM 1921 C LEU A 120 -4.732 -1.926 -6.107 1.00 0.33 C ATOM 1922 O LEU A 120 -5.939 -1.853 -5.992 1.00 0.28 O ATOM 1923 CB LEU A 120 -2.908 -2.829 -4.650 1.00 0.39 C ATOM 1924 CG LEU A 120 -3.553 -2.719 -3.264 1.00 0.39 C ATOM 1925 CD1 LEU A 120 -2.466 -2.468 -2.217 1.00 0.47 C ATOM 1926 CD2 LEU A 120 -4.555 -1.560 -3.240 1.00 0.34 C ATOM 0 H LEU A 120 -2.290 -3.699 -6.905 1.00 0.34 H new ATOM 0 HA LEU A 120 -4.666 -3.909 -5.267 1.00 0.33 H new ATOM 0 HB2 LEU A 120 -2.127 -3.589 -4.638 1.00 0.39 H new ATOM 0 HB3 LEU A 120 -2.430 -1.886 -4.914 1.00 0.39 H new ATOM 0 HG LEU A 120 -4.076 -3.649 -3.040 1.00 0.39 H new ATOM 0 HD11 LEU A 120 -2.922 -2.389 -1.230 1.00 0.47 H new ATOM 0 HD12 LEU A 120 -1.756 -3.295 -2.224 1.00 0.47 H new ATOM 0 HD13 LEU A 120 -1.944 -1.540 -2.450 1.00 0.47 H new ATOM 0 HD21 LEU A 120 -5.008 -1.491 -2.251 1.00 0.34 H new ATOM 0 HD22 LEU A 120 -4.039 -0.628 -3.469 1.00 0.34 H new ATOM 0 HD23 LEU A 120 -5.333 -1.736 -3.983 1.00 0.34 H new ATOM 1938 N LYS A 121 -4.037 -0.931 -6.587 1.00 0.44 N ATOM 1939 CA LYS A 121 -4.722 0.324 -7.005 1.00 0.51 C ATOM 1940 C LYS A 121 -5.907 -0.022 -7.909 1.00 0.50 C ATOM 1941 O LYS A 121 -6.990 0.510 -7.760 1.00 0.53 O ATOM 1942 CB LYS A 121 -3.739 1.212 -7.770 1.00 0.64 C ATOM 1943 CG LYS A 121 -4.388 2.567 -8.053 1.00 0.70 C ATOM 1944 CD LYS A 121 -3.417 3.444 -8.847 1.00 1.17 C ATOM 1945 CE LYS A 121 -3.659 3.245 -10.345 1.00 0.54 C ATOM 1946 NZ LYS A 121 -2.436 3.635 -11.102 1.00 1.35 N ATOM 0 H LYS A 121 -3.024 -0.933 -6.708 1.00 0.44 H new ATOM 0 HA LYS A 121 -5.079 0.855 -6.123 1.00 0.51 H new ATOM 0 HB2 LYS A 121 -2.827 1.348 -7.188 1.00 0.64 H new ATOM 0 HB3 LYS A 121 -3.452 0.732 -8.706 1.00 0.64 H new ATOM 0 HG2 LYS A 121 -5.312 2.429 -8.615 1.00 0.70 H new ATOM 0 HG3 LYS A 121 -4.654 3.057 -7.116 1.00 0.70 H new ATOM 0 HD2 LYS A 121 -3.556 4.492 -8.581 1.00 1.17 H new ATOM 0 HD3 LYS A 121 -2.388 3.185 -8.596 1.00 1.17 H new ATOM 0 HE2 LYS A 121 -3.909 2.204 -10.549 1.00 0.54 H new ATOM 0 HE3 LYS A 121 -4.508 3.846 -10.670 1.00 0.54 H new ATOM 0 HZ1 LYS A 121 -2.600 3.500 -12.120 1.00 1.35 H new ATOM 0 HZ2 LYS A 121 -2.217 4.635 -10.916 1.00 1.35 H new ATOM 0 HZ3 LYS A 121 -1.636 3.043 -10.799 1.00 1.35 H new ATOM 1960 N THR A 122 -5.712 -0.908 -8.847 1.00 0.49 N ATOM 1961 CA THR A 122 -6.828 -1.286 -9.759 1.00 0.55 C ATOM 1962 C THR A 122 -7.955 -1.925 -8.946 1.00 0.49 C ATOM 1963 O THR A 122 -9.106 -1.556 -9.065 1.00 0.56 O ATOM 1964 CB THR A 122 -6.318 -2.285 -10.802 1.00 0.57 C ATOM 1965 OG1 THR A 122 -5.344 -1.655 -11.622 1.00 0.64 O ATOM 1966 CG2 THR A 122 -7.486 -2.762 -11.667 1.00 0.45 C ATOM 0 H THR A 122 -4.828 -1.386 -9.021 1.00 0.49 H new ATOM 0 HA THR A 122 -7.204 -0.396 -10.263 1.00 0.55 H new ATOM 0 HB THR A 122 -5.869 -3.141 -10.298 1.00 0.57 H new ATOM 0 HG1 THR A 122 -4.469 -1.698 -11.183 1.00 0.64 H new ATOM 0 HG21 THR A 122 -7.123 -3.473 -12.409 1.00 0.45 H new ATOM 0 HG22 THR A 122 -8.232 -3.245 -11.036 1.00 0.45 H new ATOM 0 HG23 THR A 122 -7.937 -1.908 -12.173 1.00 0.45 H new ATOM 1974 N ILE A 123 -7.633 -2.883 -8.121 1.00 0.37 N ATOM 1975 CA ILE A 123 -8.686 -3.546 -7.301 1.00 0.36 C ATOM 1976 C ILE A 123 -9.490 -2.481 -6.550 1.00 0.36 C ATOM 1977 O ILE A 123 -10.703 -2.521 -6.509 1.00 0.45 O ATOM 1978 CB ILE A 123 -8.030 -4.493 -6.295 1.00 0.27 C ATOM 1979 CG1 ILE A 123 -7.668 -5.806 -6.996 1.00 0.34 C ATOM 1980 CG2 ILE A 123 -9.004 -4.779 -5.151 1.00 0.34 C ATOM 1981 CD1 ILE A 123 -6.638 -6.564 -6.158 1.00 0.33 C ATOM 0 H ILE A 123 -6.686 -3.235 -7.979 1.00 0.37 H new ATOM 0 HA ILE A 123 -9.351 -4.114 -7.952 1.00 0.36 H new ATOM 0 HB ILE A 123 -7.128 -4.031 -5.895 1.00 0.27 H new ATOM 0 HG12 ILE A 123 -8.561 -6.416 -7.133 1.00 0.34 H new ATOM 0 HG13 ILE A 123 -7.266 -5.602 -7.988 1.00 0.34 H new ATOM 0 HG21 ILE A 123 -8.536 -5.454 -4.435 1.00 0.34 H new ATOM 0 HG22 ILE A 123 -9.265 -3.845 -4.653 1.00 0.34 H new ATOM 0 HG23 ILE A 123 -9.907 -5.242 -5.549 1.00 0.34 H new ATOM 0 HD11 ILE A 123 -6.380 -7.498 -6.656 1.00 0.33 H new ATOM 0 HD12 ILE A 123 -5.742 -5.954 -6.044 1.00 0.33 H new ATOM 0 HD13 ILE A 123 -7.057 -6.781 -5.175 1.00 0.33 H new ATOM 1993 N MET A 124 -8.822 -1.532 -5.954 1.00 0.30 N ATOM 1994 CA MET A 124 -9.549 -0.467 -5.207 1.00 0.32 C ATOM 1995 C MET A 124 -10.615 0.153 -6.112 1.00 0.42 C ATOM 1996 O MET A 124 -11.791 0.137 -5.805 1.00 0.41 O ATOM 1997 CB MET A 124 -8.560 0.615 -4.768 1.00 0.35 C ATOM 1998 CG MET A 124 -7.902 0.202 -3.450 1.00 0.37 C ATOM 1999 SD MET A 124 -9.084 0.412 -2.094 1.00 0.85 S ATOM 2000 CE MET A 124 -8.382 1.936 -1.417 1.00 1.39 C ATOM 0 H MET A 124 -7.805 -1.448 -5.952 1.00 0.30 H new ATOM 0 HA MET A 124 -10.026 -0.901 -4.328 1.00 0.32 H new ATOM 0 HB2 MET A 124 -7.800 0.761 -5.536 1.00 0.35 H new ATOM 0 HB3 MET A 124 -9.077 1.567 -4.646 1.00 0.35 H new ATOM 0 HG2 MET A 124 -7.575 -0.836 -3.504 1.00 0.37 H new ATOM 0 HG3 MET A 124 -7.014 0.807 -3.269 1.00 0.37 H new ATOM 0 HE1 MET A 124 -8.863 2.167 -0.466 1.00 1.39 H new ATOM 0 HE2 MET A 124 -7.311 1.805 -1.260 1.00 1.39 H new ATOM 0 HE3 MET A 124 -8.549 2.755 -2.116 1.00 1.39 H new ATOM 2010 N ARG A 125 -10.215 0.701 -7.226 1.00 0.53 N ATOM 2011 CA ARG A 125 -11.205 1.321 -8.150 1.00 0.64 C ATOM 2012 C ARG A 125 -12.267 0.286 -8.527 1.00 0.64 C ATOM 2013 O ARG A 125 -13.400 0.622 -8.812 1.00 0.69 O ATOM 2014 CB ARG A 125 -10.492 1.804 -9.415 1.00 0.79 C ATOM 2015 CG ARG A 125 -10.067 3.263 -9.237 1.00 1.15 C ATOM 2016 CD ARG A 125 -8.876 3.563 -10.148 1.00 1.14 C ATOM 2017 NE ARG A 125 -8.784 5.033 -10.377 1.00 1.92 N ATOM 2018 CZ ARG A 125 -7.691 5.548 -10.869 1.00 2.29 C ATOM 2019 NH1 ARG A 125 -6.680 4.777 -11.162 1.00 2.43 N ATOM 2020 NH2 ARG A 125 -7.609 6.835 -11.070 1.00 2.96 N ATOM 0 H ARG A 125 -9.244 0.746 -7.536 1.00 0.53 H new ATOM 0 HA ARG A 125 -11.681 2.168 -7.656 1.00 0.64 H new ATOM 0 HB2 ARG A 125 -9.619 1.182 -9.613 1.00 0.79 H new ATOM 0 HB3 ARG A 125 -11.153 1.709 -10.276 1.00 0.79 H new ATOM 0 HG2 ARG A 125 -10.898 3.927 -9.477 1.00 1.15 H new ATOM 0 HG3 ARG A 125 -9.799 3.450 -8.197 1.00 1.15 H new ATOM 0 HD2 ARG A 125 -7.955 3.197 -9.694 1.00 1.14 H new ATOM 0 HD3 ARG A 125 -8.991 3.042 -11.099 1.00 1.14 H new ATOM 0 HE ARG A 125 -9.575 5.636 -10.149 1.00 1.92 H new ATOM 0 HH11 ARG A 125 -6.744 3.771 -11.006 1.00 2.43 H new ATOM 0 HH12 ARG A 125 -5.826 5.180 -11.547 1.00 2.43 H new ATOM 0 HH21 ARG A 125 -8.399 7.438 -10.842 1.00 2.96 H new ATOM 0 HH22 ARG A 125 -6.754 7.238 -11.455 1.00 2.96 H new ATOM 2034 N GLU A 126 -11.911 -0.969 -8.528 1.00 0.63 N ATOM 2035 CA GLU A 126 -12.900 -2.024 -8.885 1.00 0.71 C ATOM 2036 C GLU A 126 -14.007 -2.061 -7.829 1.00 0.72 C ATOM 2037 O GLU A 126 -15.159 -1.799 -8.114 1.00 0.97 O ATOM 2038 CB GLU A 126 -12.200 -3.383 -8.938 1.00 0.66 C ATOM 2039 CG GLU A 126 -12.898 -4.278 -9.964 1.00 0.73 C ATOM 2040 CD GLU A 126 -12.237 -5.657 -9.972 1.00 0.87 C ATOM 2041 OE1 GLU A 126 -11.221 -5.802 -10.632 1.00 1.82 O ATOM 2042 OE2 GLU A 126 -12.758 -6.546 -9.318 1.00 0.51 O ATOM 0 H GLU A 126 -10.978 -1.309 -8.297 1.00 0.63 H new ATOM 0 HA GLU A 126 -13.334 -1.801 -9.860 1.00 0.71 H new ATOM 0 HB2 GLU A 126 -11.152 -3.254 -9.206 1.00 0.66 H new ATOM 0 HB3 GLU A 126 -12.222 -3.854 -7.955 1.00 0.66 H new ATOM 0 HG2 GLU A 126 -13.956 -4.372 -9.720 1.00 0.73 H new ATOM 0 HG3 GLU A 126 -12.838 -3.828 -10.955 1.00 0.73 H new ATOM 2049 N LYS A 127 -13.668 -2.383 -6.612 1.00 0.49 N ATOM 2050 CA LYS A 127 -14.701 -2.435 -5.539 1.00 0.59 C ATOM 2051 C LYS A 127 -15.256 -1.030 -5.299 1.00 0.64 C ATOM 2052 O LYS A 127 -16.243 -0.850 -4.612 1.00 0.77 O ATOM 2053 CB LYS A 127 -14.069 -2.962 -4.249 1.00 0.58 C ATOM 2054 CG LYS A 127 -13.369 -4.293 -4.528 1.00 0.52 C ATOM 2055 CD LYS A 127 -13.539 -5.223 -3.326 1.00 0.80 C ATOM 2056 CE LYS A 127 -12.470 -6.317 -3.370 1.00 0.55 C ATOM 2057 NZ LYS A 127 -11.193 -5.786 -2.814 1.00 1.29 N ATOM 0 H LYS A 127 -12.720 -2.613 -6.313 1.00 0.49 H new ATOM 0 HA LYS A 127 -15.510 -3.098 -5.844 1.00 0.59 H new ATOM 0 HB2 LYS A 127 -13.353 -2.238 -3.860 1.00 0.58 H new ATOM 0 HB3 LYS A 127 -14.835 -3.095 -3.485 1.00 0.58 H new ATOM 0 HG2 LYS A 127 -13.788 -4.756 -5.421 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -12.310 -4.125 -4.724 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -13.455 -4.655 -2.399 1.00 0.80 H new ATOM 0 HD3 LYS A 127 -14.533 -5.671 -3.337 1.00 0.80 H new ATOM 0 HE2 LYS A 127 -12.797 -7.183 -2.795 1.00 0.55 H new ATOM 0 HE3 LYS A 127 -12.320 -6.653 -4.396 1.00 0.55 H new ATOM 0 HZ1 LYS A 127 -10.394 -6.322 -3.207 1.00 1.29 H new ATOM 0 HZ2 LYS A 127 -11.095 -4.782 -3.068 1.00 1.29 H new ATOM 0 HZ3 LYS A 127 -11.199 -5.882 -1.778 1.00 1.29 H new ATOM 2071 N TYR A 128 -14.630 -0.031 -5.859 1.00 0.56 N ATOM 2072 CA TYR A 128 -15.121 1.361 -5.663 1.00 0.60 C ATOM 2073 C TYR A 128 -16.413 1.562 -6.457 1.00 0.80 C ATOM 2074 O TYR A 128 -16.943 2.653 -6.534 1.00 0.87 O ATOM 2075 CB TYR A 128 -14.062 2.350 -6.155 1.00 0.44 C ATOM 2076 CG TYR A 128 -14.446 3.749 -5.739 1.00 0.41 C ATOM 2077 CD1 TYR A 128 -14.262 4.161 -4.414 1.00 0.33 C ATOM 2078 CD2 TYR A 128 -14.988 4.635 -6.678 1.00 0.54 C ATOM 2079 CE1 TYR A 128 -14.619 5.458 -4.028 1.00 0.31 C ATOM 2080 CE2 TYR A 128 -15.344 5.933 -6.292 1.00 0.51 C ATOM 2081 CZ TYR A 128 -15.160 6.344 -4.967 1.00 0.35 C ATOM 2082 OH TYR A 128 -15.511 7.623 -4.587 1.00 0.33 O ATOM 0 H TYR A 128 -13.799 -0.120 -6.444 1.00 0.56 H new ATOM 0 HA TYR A 128 -15.314 1.532 -4.604 1.00 0.60 H new ATOM 0 HB2 TYR A 128 -13.087 2.091 -5.741 1.00 0.44 H new ATOM 0 HB3 TYR A 128 -13.973 2.294 -7.240 1.00 0.44 H new ATOM 0 HD1 TYR A 128 -13.844 3.478 -3.689 1.00 0.33 H new ATOM 0 HD2 TYR A 128 -15.131 4.317 -7.700 1.00 0.54 H new ATOM 0 HE1 TYR A 128 -14.477 5.775 -3.005 1.00 0.31 H new ATOM 0 HE2 TYR A 128 -15.761 6.617 -7.017 1.00 0.51 H new ATOM 0 HH TYR A 128 -15.870 8.107 -5.360 1.00 0.33 H new