USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 846 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 37 ASN : amide:sc= 0.673 K(o=-3.3,f=-9.7) USER MOD Set 1.2: A 77 HIS : +bothHN:sc= -1.53 K(o=-3.3,f=-13!) USER MOD Set 1.3: A 81 HIS : no HE2:sc= 1.86 K(o=-3.3,f=-20!) USER MOD Set 1.4: A 100 HIS : +bothHN:sc= -1.35! C(o=-3.3!,f=-22!) USER MOD Set 1.5: A 107 HIS : +bothHN:sc= -2.96! C(o=-3.3!,f=-10!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0942 K(o=-0.094,f=-0.77) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.15) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0241 F(o=-1.5!,f=-0.024) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc=-0.00581 (180deg=-0.127) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0.545 K(o=0.54,f=-0.047) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 165:sc= 0.0226 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.14) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0951 F(o=-1.5!,f=-0.095) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0431 (180deg=-0.355) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00458) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 1.17 (180deg=1.03) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.585 K(o=-0.58,f=-1.3) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.6!) USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 102 GLN : amide:sc= -0.288 K(o=-0.29,f=-4!) USER MOD Single : A 105 GLN : amide:sc= -0.837 X(o=-0.84,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.224 -6.735 -3.367 1.00 0.00 N ATOM 106 CA LEU A 7 -9.425 -6.254 -2.241 1.00 0.00 C ATOM 107 C LEU A 7 -7.927 -6.356 -2.532 1.00 0.00 C ATOM 108 O LEU A 7 -7.164 -5.437 -2.230 1.00 0.00 O ATOM 109 CB LEU A 7 -9.756 -7.054 -0.974 1.00 0.00 C ATOM 110 CG LEU A 7 -11.247 -7.238 -0.670 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.431 -7.950 0.660 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.973 -5.903 -0.661 1.00 0.00 C ATOM 0 HA LEU A 7 -9.674 -5.204 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.298 -8.039 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.290 -6.559 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.680 -7.851 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.495 -8.074 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.954 -8.929 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.977 -7.359 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.029 -6.064 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.539 -5.258 0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.873 -5.428 -1.637 1.00 0.00 H new ATOM 124 N LEU A 8 -7.516 -7.469 -3.131 1.00 0.00 N ATOM 125 CA LEU A 8 -6.106 -7.730 -3.406 1.00 0.00 C ATOM 126 C LEU A 8 -5.530 -6.711 -4.380 1.00 0.00 C ATOM 127 O LEU A 8 -4.347 -6.366 -4.314 1.00 0.00 O ATOM 128 CB LEU A 8 -5.934 -9.140 -3.975 1.00 0.00 C ATOM 129 CG LEU A 8 -6.431 -10.272 -3.074 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.174 -11.623 -3.720 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.770 -10.196 -1.710 1.00 0.00 C ATOM 0 H LEU A 8 -8.145 -8.211 -3.438 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.563 -7.646 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.462 -9.197 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.877 -9.303 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.507 -10.157 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.535 -12.415 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.698 -11.676 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.104 -11.749 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.136 -11.009 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.689 -10.283 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.009 -9.241 -1.242 1.00 0.00 H new ATOM 143 N LYS A 9 -6.381 -6.220 -5.267 1.00 0.00 N ATOM 144 CA LYS A 9 -5.972 -5.292 -6.309 1.00 0.00 C ATOM 145 C LYS A 9 -5.402 -4.001 -5.728 1.00 0.00 C ATOM 146 O LYS A 9 -4.498 -3.411 -6.306 1.00 0.00 O ATOM 147 CB LYS A 9 -7.153 -4.986 -7.224 1.00 0.00 C ATOM 148 CG LYS A 9 -7.598 -6.189 -8.041 1.00 0.00 C ATOM 149 CD LYS A 9 -8.935 -5.949 -8.723 1.00 0.00 C ATOM 150 CE LYS A 9 -8.915 -4.705 -9.593 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.233 -4.472 -10.236 1.00 0.00 N ATOM 0 H LYS A 9 -7.374 -6.453 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.179 -5.767 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.990 -4.633 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.882 -4.175 -7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.843 -6.416 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.673 -7.061 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.191 -6.815 -9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.715 -5.851 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.646 -3.840 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.147 -4.808 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.186 -3.615 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.477 -5.288 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.960 -4.350 -9.503 1.00 0.00 H new ATOM 165 N ALA A 10 -5.928 -3.576 -4.587 1.00 0.00 N ATOM 166 CA ALA A 10 -5.486 -2.336 -3.954 1.00 0.00 C ATOM 167 C ALA A 10 -4.013 -2.410 -3.544 1.00 0.00 C ATOM 168 O ALA A 10 -3.244 -1.486 -3.810 1.00 0.00 O ATOM 169 CB ALA A 10 -6.358 -2.022 -2.750 1.00 0.00 C ATOM 0 H ALA A 10 -6.662 -4.070 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.586 -1.532 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.019 -1.096 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.394 -1.909 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.288 -2.836 -2.028 1.00 0.00 H new ATOM 175 N GLU A 11 -3.620 -3.512 -2.909 1.00 0.00 N ATOM 176 CA GLU A 11 -2.223 -3.703 -2.521 1.00 0.00 C ATOM 177 C GLU A 11 -1.345 -3.836 -3.761 1.00 0.00 C ATOM 178 O GLU A 11 -0.224 -3.328 -3.797 1.00 0.00 O ATOM 179 CB GLU A 11 -2.068 -4.931 -1.615 1.00 0.00 C ATOM 180 CG GLU A 11 -2.573 -4.711 -0.192 1.00 0.00 C ATOM 181 CD GLU A 11 -1.655 -3.823 0.636 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.447 -2.659 0.289 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.109 -4.281 1.661 1.00 0.00 O ATOM 0 H GLU A 11 -4.241 -4.280 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.901 -2.828 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.608 -5.768 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.016 -5.214 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.566 -4.262 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.679 -5.676 0.303 1.00 0.00 H new ATOM 190 N GLN A 12 -1.874 -4.502 -4.784 1.00 0.00 N ATOM 191 CA GLN A 12 -1.186 -4.612 -6.062 1.00 0.00 C ATOM 192 C GLN A 12 -0.986 -3.229 -6.678 1.00 0.00 C ATOM 193 O GLN A 12 0.085 -2.919 -7.192 1.00 0.00 O ATOM 194 CB GLN A 12 -1.985 -5.496 -7.020 1.00 0.00 C ATOM 195 CG GLN A 12 -1.965 -6.972 -6.663 1.00 0.00 C ATOM 196 CD GLN A 12 -0.580 -7.583 -6.770 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.252 -7.138 -7.564 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.327 -8.615 -5.981 1.00 0.00 N ATOM 0 H GLN A 12 -2.778 -4.973 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.210 -5.067 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.019 -5.152 -7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.589 -5.371 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.337 -7.101 -5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.647 -7.510 -7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.043 -8.953 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.584 -9.073 -6.016 1.00 0.00 H new ATOM 207 N GLN A 13 -2.028 -2.406 -6.606 1.00 0.00 N ATOM 208 CA GLN A 13 -1.988 -1.047 -7.107 1.00 0.00 C ATOM 209 C GLN A 13 -0.959 -0.214 -6.356 1.00 0.00 C ATOM 210 O GLN A 13 -0.205 0.544 -6.967 1.00 0.00 O ATOM 211 CB GLN A 13 -3.375 -0.419 -6.980 1.00 0.00 C ATOM 212 CG GLN A 13 -4.310 -0.768 -8.126 1.00 0.00 C ATOM 213 CD GLN A 13 -5.714 -0.235 -7.912 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.183 -0.124 -6.782 1.00 0.00 O ATOM 215 NE2 GLN A 13 -6.393 0.109 -8.996 1.00 0.00 N ATOM 0 H GLN A 13 -2.924 -2.669 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.693 -1.070 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.827 -0.743 -6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.270 0.665 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.908 -0.363 -9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.350 -1.851 -8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.970 0.002 -9.918 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.339 0.481 -8.909 1.00 0.00 H new ATOM 224 N GLY A 14 -0.925 -0.363 -5.036 1.00 0.00 N ATOM 225 CA GLY A 14 0.033 0.375 -4.235 1.00 0.00 C ATOM 226 C GLY A 14 1.463 0.061 -4.628 1.00 0.00 C ATOM 227 O GLY A 14 2.261 0.970 -4.852 1.00 0.00 O ATOM 0 H GLY A 14 -1.542 -0.980 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.148 1.444 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.114 0.136 -3.182 1.00 0.00 H new ATOM 231 N ILE A 15 1.772 -1.225 -4.758 1.00 0.00 N ATOM 232 CA ILE A 15 3.107 -1.655 -5.164 1.00 0.00 C ATOM 233 C ILE A 15 3.400 -1.182 -6.583 1.00 0.00 C ATOM 234 O ILE A 15 4.496 -0.711 -6.883 1.00 0.00 O ATOM 235 CB ILE A 15 3.251 -3.194 -5.094 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.003 -3.687 -3.666 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.631 -3.631 -5.576 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.029 -5.195 -3.530 1.00 0.00 C ATOM 0 H ILE A 15 1.117 -1.988 -4.588 1.00 0.00 H new ATOM 0 HA ILE A 15 3.823 -1.211 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 15 2.504 -3.638 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.758 -3.258 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.036 -3.317 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.710 -4.717 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.774 -3.311 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.397 -3.178 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.846 -5.470 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.256 -5.631 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.004 -5.571 -3.838 1.00 0.00 H new ATOM 250 N LYS A 16 2.395 -1.293 -7.440 1.00 0.00 N ATOM 251 CA LYS A 16 2.500 -0.886 -8.836 1.00 0.00 C ATOM 252 C LYS A 16 2.902 0.584 -8.953 1.00 0.00 C ATOM 253 O LYS A 16 3.788 0.935 -9.736 1.00 0.00 O ATOM 254 CB LYS A 16 1.160 -1.132 -9.529 1.00 0.00 C ATOM 255 CG LYS A 16 1.154 -0.880 -11.027 1.00 0.00 C ATOM 256 CD LYS A 16 -0.182 -1.284 -11.620 1.00 0.00 C ATOM 257 CE LYS A 16 -0.233 -1.077 -13.124 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.495 -1.614 -13.696 1.00 0.00 N ATOM 0 H LYS A 16 1.481 -1.669 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 16 3.277 -1.477 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.859 -2.164 -9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.407 -0.495 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.345 0.174 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.957 -1.445 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.375 -2.333 -11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.976 -0.705 -11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.151 -0.014 -13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.620 -1.569 -13.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.503 -1.459 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.560 -2.633 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.306 -1.126 -13.266 1.00 0.00 H new ATOM 272 N ILE A 17 2.256 1.436 -8.166 1.00 0.00 N ATOM 273 CA ILE A 17 2.568 2.860 -8.167 1.00 0.00 C ATOM 274 C ILE A 17 3.944 3.114 -7.554 1.00 0.00 C ATOM 275 O ILE A 17 4.709 3.937 -8.054 1.00 0.00 O ATOM 276 CB ILE A 17 1.499 3.684 -7.410 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.123 3.477 -8.051 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.868 5.162 -7.411 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.995 4.211 -7.345 1.00 0.00 C ATOM 0 H ILE A 17 1.514 1.166 -7.520 1.00 0.00 H new ATOM 0 HA ILE A 17 2.573 3.185 -9.208 1.00 0.00 H new ATOM 0 HB ILE A 17 1.459 3.340 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.163 3.806 -9.089 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.105 2.411 -8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.106 5.728 -6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.832 5.297 -6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.930 5.521 -8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.938 4.016 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.063 3.865 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.791 5.282 -7.356 1.00 0.00 H new ATOM 291 N LEU A 18 4.260 2.392 -6.480 1.00 0.00 N ATOM 292 CA LEU A 18 5.571 2.499 -5.841 1.00 0.00 C ATOM 293 C LEU A 18 6.682 2.168 -6.836 1.00 0.00 C ATOM 294 O LEU A 18 7.710 2.845 -6.885 1.00 0.00 O ATOM 295 CB LEU A 18 5.655 1.563 -4.634 1.00 0.00 C ATOM 296 CG LEU A 18 4.714 1.885 -3.471 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.766 0.774 -2.437 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.078 3.221 -2.837 1.00 0.00 C ATOM 0 H LEU A 18 3.627 1.728 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 18 5.701 3.526 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.449 0.547 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.679 1.574 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 18 3.697 1.959 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.093 1.012 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.459 -0.165 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.783 0.677 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.396 3.430 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.100 3.179 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.998 4.012 -3.583 1.00 0.00 H new ATOM 310 N LYS A 19 6.460 1.122 -7.630 1.00 0.00 N ATOM 311 CA LYS A 19 7.380 0.745 -8.702 1.00 0.00 C ATOM 312 C LYS A 19 7.598 1.904 -9.676 1.00 0.00 C ATOM 313 O LYS A 19 8.707 2.103 -10.181 1.00 0.00 O ATOM 314 CB LYS A 19 6.836 -0.474 -9.450 1.00 0.00 C ATOM 315 CG LYS A 19 6.861 -1.754 -8.631 1.00 0.00 C ATOM 316 CD LYS A 19 5.932 -2.815 -9.208 1.00 0.00 C ATOM 317 CE LYS A 19 6.257 -3.136 -10.658 1.00 0.00 C ATOM 318 NZ LYS A 19 5.437 -4.267 -11.170 1.00 0.00 N ATOM 0 H LYS A 19 5.644 0.516 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 19 8.342 0.495 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.811 -0.271 -9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.420 -0.623 -10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.879 -2.143 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.568 -1.534 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.006 -3.724 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.901 -2.470 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.084 -2.253 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.315 -3.384 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.687 -4.456 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.621 -5.116 -10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.429 -4.020 -11.108 1.00 0.00 H new ATOM 332 N GLU A 20 6.539 2.665 -9.931 1.00 0.00 N ATOM 333 CA GLU A 20 6.623 3.833 -10.801 1.00 0.00 C ATOM 334 C GLU A 20 7.428 4.939 -10.129 1.00 0.00 C ATOM 335 O GLU A 20 8.227 5.621 -10.774 1.00 0.00 O ATOM 336 CB GLU A 20 5.224 4.349 -11.150 1.00 0.00 C ATOM 337 CG GLU A 20 4.401 3.377 -11.979 1.00 0.00 C ATOM 338 CD GLU A 20 5.035 3.082 -13.321 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.867 3.899 -14.251 1.00 0.00 O ATOM 340 OE2 GLU A 20 5.704 2.037 -13.453 1.00 0.00 O ATOM 0 H GLU A 20 5.610 2.493 -9.546 1.00 0.00 H new ATOM 0 HA GLU A 20 7.126 3.535 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.688 4.570 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.319 5.288 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.278 2.446 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.404 3.790 -12.134 1.00 0.00 H new ATOM 347 N VAL A 21 7.215 5.105 -8.828 1.00 0.00 N ATOM 348 CA VAL A 21 7.949 6.097 -8.049 1.00 0.00 C ATOM 349 C VAL A 21 9.445 5.800 -8.097 1.00 0.00 C ATOM 350 O VAL A 21 10.258 6.708 -8.218 1.00 0.00 O ATOM 351 CB VAL A 21 7.479 6.140 -6.578 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.242 7.200 -5.796 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.982 6.401 -6.500 1.00 0.00 C ATOM 0 H VAL A 21 6.538 4.564 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 21 7.750 7.072 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 21 7.685 5.168 -6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.894 7.211 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.307 6.971 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.072 8.178 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.671 6.427 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.754 7.357 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.446 5.605 -7.018 1.00 0.00 H new ATOM 363 N LEU A 22 9.792 4.516 -8.026 1.00 0.00 N ATOM 364 CA LEU A 22 11.186 4.085 -8.115 1.00 0.00 C ATOM 365 C LEU A 22 11.832 4.592 -9.402 1.00 0.00 C ATOM 366 O LEU A 22 12.977 5.046 -9.399 1.00 0.00 O ATOM 367 CB LEU A 22 11.279 2.556 -8.058 1.00 0.00 C ATOM 368 CG LEU A 22 10.835 1.920 -6.738 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.857 0.405 -6.847 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.733 2.381 -5.597 1.00 0.00 C ATOM 0 H LEU A 22 9.125 3.754 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 22 11.722 4.508 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.673 2.142 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.311 2.264 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 22 9.814 2.239 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.539 -0.033 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.179 0.087 -7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.868 0.072 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.404 1.920 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.762 2.088 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.676 3.466 -5.505 1.00 0.00 H new ATOM 382 N LYS A 23 11.091 4.516 -10.499 1.00 0.00 N ATOM 383 CA LYS A 23 11.582 4.985 -11.789 1.00 0.00 C ATOM 384 C LYS A 23 11.638 6.507 -11.834 1.00 0.00 C ATOM 385 O LYS A 23 12.640 7.088 -12.248 1.00 0.00 O ATOM 386 CB LYS A 23 10.692 4.468 -12.923 1.00 0.00 C ATOM 387 CG LYS A 23 10.864 2.985 -13.228 1.00 0.00 C ATOM 388 CD LYS A 23 12.249 2.680 -13.790 1.00 0.00 C ATOM 389 CE LYS A 23 12.556 3.536 -15.010 1.00 0.00 C ATOM 390 NZ LYS A 23 13.824 3.141 -15.675 1.00 0.00 N ATOM 0 H LYS A 23 10.146 4.133 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 23 12.592 4.596 -11.921 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.650 4.656 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.905 5.040 -13.826 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.705 2.406 -12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.104 2.670 -13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.002 2.856 -13.022 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.310 1.626 -14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.735 3.456 -15.723 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.617 4.582 -14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.989 3.753 -16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.613 3.242 -15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.759 2.151 -15.986 1.00 0.00 H new ATOM 404 N LYS A 24 10.563 7.148 -11.389 1.00 0.00 N ATOM 405 CA LYS A 24 10.445 8.601 -11.468 1.00 0.00 C ATOM 406 C LYS A 24 11.352 9.310 -10.466 1.00 0.00 C ATOM 407 O LYS A 24 11.630 10.499 -10.610 1.00 0.00 O ATOM 408 CB LYS A 24 8.991 9.042 -11.278 1.00 0.00 C ATOM 409 CG LYS A 24 8.213 9.168 -12.583 1.00 0.00 C ATOM 410 CD LYS A 24 8.044 7.835 -13.292 1.00 0.00 C ATOM 411 CE LYS A 24 7.403 8.014 -14.657 1.00 0.00 C ATOM 412 NZ LYS A 24 6.040 8.605 -14.569 1.00 0.00 N ATOM 0 H LYS A 24 9.758 6.684 -10.968 1.00 0.00 H new ATOM 0 HA LYS A 24 10.773 8.891 -12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.485 8.325 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.976 10.002 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.231 9.593 -12.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.729 9.864 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.016 7.355 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.429 7.172 -12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.035 8.655 -15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.346 7.048 -15.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.617 8.645 -15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.446 8.017 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.103 9.566 -14.177 1.00 0.00 H new ATOM 426 N ALA A 25 11.810 8.590 -9.454 1.00 0.00 N ATOM 427 CA ALA A 25 12.736 9.151 -8.481 1.00 0.00 C ATOM 428 C ALA A 25 14.039 9.563 -9.157 1.00 0.00 C ATOM 429 O ALA A 25 14.582 10.632 -8.881 1.00 0.00 O ATOM 430 CB ALA A 25 13.004 8.153 -7.364 1.00 0.00 C ATOM 0 H ALA A 25 11.556 7.617 -9.284 1.00 0.00 H new ATOM 0 HA ALA A 25 12.281 10.040 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.698 8.589 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.068 7.909 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.438 7.245 -7.783 1.00 0.00 H new ATOM 436 N LYS A 26 14.519 8.721 -10.071 1.00 0.00 N ATOM 437 CA LYS A 26 15.769 8.993 -10.773 1.00 0.00 C ATOM 438 C LYS A 26 15.590 10.129 -11.778 1.00 0.00 C ATOM 439 O LYS A 26 16.564 10.752 -12.205 1.00 0.00 O ATOM 440 CB LYS A 26 16.288 7.734 -11.476 1.00 0.00 C ATOM 441 CG LYS A 26 17.697 7.897 -12.025 1.00 0.00 C ATOM 442 CD LYS A 26 18.219 6.618 -12.654 1.00 0.00 C ATOM 443 CE LYS A 26 19.655 6.792 -13.123 1.00 0.00 C ATOM 444 NZ LYS A 26 20.200 5.560 -13.749 1.00 0.00 N ATOM 0 H LYS A 26 14.063 7.849 -10.341 1.00 0.00 H new ATOM 0 HA LYS A 26 16.508 9.300 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.272 6.900 -10.774 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.613 7.477 -12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.706 8.695 -12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.365 8.203 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.164 5.804 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.588 6.339 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.703 7.612 -13.839 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.280 7.072 -12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.180 5.729 -14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.180 4.782 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.622 5.305 -14.575 1.00 0.00 H new ATOM 458 N GLU A 27 14.342 10.395 -12.152 1.00 0.00 N ATOM 459 CA GLU A 27 14.032 11.492 -13.064 1.00 0.00 C ATOM 460 C GLU A 27 14.442 12.830 -12.449 1.00 0.00 C ATOM 461 O GLU A 27 14.726 13.796 -13.162 1.00 0.00 O ATOM 462 CB GLU A 27 12.536 11.516 -13.382 1.00 0.00 C ATOM 463 CG GLU A 27 12.013 10.236 -14.015 1.00 0.00 C ATOM 464 CD GLU A 27 12.555 10.006 -15.407 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.133 10.724 -16.336 1.00 0.00 O ATOM 466 OE2 GLU A 27 13.393 9.100 -15.584 1.00 0.00 O ATOM 0 H GLU A 27 13.529 9.866 -11.838 1.00 0.00 H new ATOM 0 HA GLU A 27 14.592 11.335 -13.986 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.983 11.705 -12.462 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.332 12.350 -14.054 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.278 9.389 -13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.924 10.275 -14.056 1.00 0.00 H new ATOM 473 N GLY A 28 14.462 12.877 -11.119 1.00 0.00 N ATOM 474 CA GLY A 28 14.861 14.084 -10.421 1.00 0.00 C ATOM 475 C GLY A 28 13.793 15.154 -10.461 1.00 0.00 C ATOM 476 O GLY A 28 14.096 16.345 -10.457 1.00 0.00 O ATOM 0 H GLY A 28 14.208 12.097 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.089 13.841 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.777 14.472 -10.867 1.00 0.00 H new ATOM 480 N ASP A 29 12.539 14.735 -10.506 1.00 0.00 N ATOM 481 CA ASP A 29 11.435 15.676 -10.560 1.00 0.00 C ATOM 482 C ASP A 29 10.493 15.463 -9.386 1.00 0.00 C ATOM 483 O ASP A 29 9.929 14.385 -9.213 1.00 0.00 O ATOM 484 CB ASP A 29 10.677 15.542 -11.879 1.00 0.00 C ATOM 485 CG ASP A 29 9.562 16.557 -12.000 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.829 17.699 -12.434 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.416 16.225 -11.660 1.00 0.00 O ATOM 0 H ASP A 29 12.262 13.753 -10.506 1.00 0.00 H new ATOM 0 HA ASP A 29 11.844 16.684 -10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.371 15.666 -12.710 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.262 14.537 -11.958 1.00 0.00 H new ATOM 492 N GLU A 30 10.326 16.503 -8.585 1.00 0.00 N ATOM 493 CA GLU A 30 9.528 16.421 -7.369 1.00 0.00 C ATOM 494 C GLU A 30 8.060 16.705 -7.667 1.00 0.00 C ATOM 495 O GLU A 30 7.177 16.355 -6.883 1.00 0.00 O ATOM 496 CB GLU A 30 10.073 17.405 -6.334 1.00 0.00 C ATOM 497 CG GLU A 30 11.500 17.094 -5.907 1.00 0.00 C ATOM 498 CD GLU A 30 12.124 18.206 -5.093 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.829 18.305 -3.884 1.00 0.00 O ATOM 500 OE2 GLU A 30 12.912 18.994 -5.661 1.00 0.00 O ATOM 0 H GLU A 30 10.735 17.421 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 30 9.595 15.410 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.035 18.414 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.427 17.394 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.507 16.174 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.108 16.913 -6.793 1.00 0.00 H new ATOM 507 N GLN A 31 7.811 17.330 -8.810 1.00 0.00 N ATOM 508 CA GLN A 31 6.455 17.596 -9.273 1.00 0.00 C ATOM 509 C GLN A 31 5.719 16.281 -9.519 1.00 0.00 C ATOM 510 O GLN A 31 4.580 16.097 -9.081 1.00 0.00 O ATOM 511 CB GLN A 31 6.511 18.432 -10.554 1.00 0.00 C ATOM 512 CG GLN A 31 5.160 18.700 -11.195 1.00 0.00 C ATOM 513 CD GLN A 31 5.290 19.433 -12.517 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.396 19.212 -13.213 1.00 0.00 O flip ATOM 515 NE2 GLN A 31 4.409 20.197 -12.908 1.00 0.00 N flip ATOM 0 H GLN A 31 8.539 17.666 -9.440 1.00 0.00 H new ATOM 0 HA GLN A 31 5.911 18.154 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.987 19.386 -10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.147 17.922 -11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.641 17.755 -11.355 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.546 19.289 -10.513 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.572 20.341 -12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.516 20.686 -13.797 1.00 0.00 H new ATOM 524 N GLU A 32 6.387 15.378 -10.225 1.00 0.00 N ATOM 525 CA GLU A 32 5.877 14.036 -10.466 1.00 0.00 C ATOM 526 C GLU A 32 5.779 13.260 -9.156 1.00 0.00 C ATOM 527 O GLU A 32 4.796 12.565 -8.910 1.00 0.00 O ATOM 528 CB GLU A 32 6.794 13.293 -11.440 1.00 0.00 C ATOM 529 CG GLU A 32 6.398 11.843 -11.683 1.00 0.00 C ATOM 530 CD GLU A 32 5.287 11.676 -12.700 1.00 0.00 C ATOM 531 OE1 GLU A 32 4.142 12.099 -12.432 1.00 0.00 O ATOM 532 OE2 GLU A 32 5.554 11.096 -13.775 1.00 0.00 O ATOM 0 H GLU A 32 7.298 15.556 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 32 4.881 14.117 -10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.799 13.822 -12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.813 13.320 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.274 11.288 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.084 11.399 -10.739 1.00 0.00 H new ATOM 539 N LEU A 33 6.803 13.387 -8.315 1.00 0.00 N ATOM 540 CA LEU A 33 6.830 12.695 -7.028 1.00 0.00 C ATOM 541 C LEU A 33 5.609 13.050 -6.188 1.00 0.00 C ATOM 542 O LEU A 33 4.987 12.175 -5.590 1.00 0.00 O ATOM 543 CB LEU A 33 8.107 13.040 -6.257 1.00 0.00 C ATOM 544 CG LEU A 33 9.398 12.439 -6.817 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.600 12.934 -6.029 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.337 10.920 -6.787 1.00 0.00 C ATOM 0 H LEU A 33 7.625 13.962 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 33 6.813 11.624 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.213 14.125 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.989 12.707 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 33 9.505 12.761 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.510 12.497 -6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.657 14.020 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.496 12.640 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.264 10.511 -7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.207 10.581 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.497 10.578 -7.391 1.00 0.00 H new ATOM 558 N ALA A 34 5.267 14.333 -6.155 1.00 0.00 N ATOM 559 CA ALA A 34 4.096 14.795 -5.417 1.00 0.00 C ATOM 560 C ALA A 34 2.825 14.168 -5.978 1.00 0.00 C ATOM 561 O ALA A 34 1.968 13.697 -5.227 1.00 0.00 O ATOM 562 CB ALA A 34 4.006 16.313 -5.459 1.00 0.00 C ATOM 0 H ALA A 34 5.784 15.072 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 34 4.200 14.484 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.127 16.641 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.901 16.743 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.926 16.644 -6.494 1.00 0.00 H new ATOM 568 N ARG A 35 2.718 14.156 -7.302 1.00 0.00 N ATOM 569 CA ARG A 35 1.593 13.554 -7.985 1.00 0.00 C ATOM 570 C ARG A 35 1.476 12.071 -7.648 1.00 0.00 C ATOM 571 O ARG A 35 0.407 11.591 -7.263 1.00 0.00 O ATOM 572 CB ARG A 35 1.794 13.723 -9.482 1.00 0.00 C ATOM 573 CG ARG A 35 0.654 13.192 -10.307 1.00 0.00 C ATOM 574 CD ARG A 35 0.952 13.301 -11.792 1.00 0.00 C ATOM 575 NE ARG A 35 1.030 14.689 -12.240 1.00 0.00 N ATOM 576 CZ ARG A 35 2.026 15.187 -12.973 1.00 0.00 C ATOM 577 NH1 ARG A 35 3.096 14.450 -13.256 1.00 0.00 N ATOM 578 NH2 ARG A 35 1.956 16.440 -13.405 1.00 0.00 N ATOM 0 H ARG A 35 3.412 14.565 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 35 0.675 14.045 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.930 14.781 -9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.712 13.215 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.468 12.150 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.255 13.746 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.894 12.798 -12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.176 12.783 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 35 0.273 15.319 -11.975 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.161 13.492 -12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.851 14.842 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.145 17.014 -13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.714 16.829 -13.966 1.00 0.00 H new ATOM 592 N LEU A 36 2.590 11.357 -7.775 1.00 0.00 N ATOM 593 CA LEU A 36 2.622 9.924 -7.506 1.00 0.00 C ATOM 594 C LEU A 36 2.294 9.643 -6.050 1.00 0.00 C ATOM 595 O LEU A 36 1.510 8.747 -5.743 1.00 0.00 O ATOM 596 CB LEU A 36 3.997 9.345 -7.849 1.00 0.00 C ATOM 597 CG LEU A 36 4.368 9.374 -9.331 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.762 8.810 -9.538 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.351 8.602 -10.157 1.00 0.00 C ATOM 0 H LEU A 36 3.486 11.750 -8.064 1.00 0.00 H new ATOM 0 HA LEU A 36 1.869 9.446 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.754 9.896 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.035 8.312 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 36 4.360 10.411 -9.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.012 8.837 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.483 9.408 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.794 7.779 -9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.635 8.636 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.322 7.565 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.365 9.051 -10.033 1.00 0.00 H new ATOM 611 N ASN A 37 2.890 10.429 -5.164 1.00 0.00 N ATOM 612 CA ASN A 37 2.694 10.274 -3.728 1.00 0.00 C ATOM 613 C ASN A 37 1.218 10.397 -3.369 1.00 0.00 C ATOM 614 O ASN A 37 0.704 9.647 -2.539 1.00 0.00 O ATOM 615 CB ASN A 37 3.508 11.331 -2.977 1.00 0.00 C ATOM 616 CG ASN A 37 3.557 11.086 -1.482 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.444 10.393 -0.987 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.615 11.662 -0.750 1.00 0.00 N ATOM 0 H ASN A 37 3.521 11.189 -5.418 1.00 0.00 H new ATOM 0 HA ASN A 37 3.036 9.281 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.524 11.347 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.078 12.315 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.609 11.538 0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.896 12.230 -1.199 1.00 0.00 H new ATOM 625 N GLN A 38 0.534 11.339 -4.009 1.00 0.00 N ATOM 626 CA GLN A 38 -0.866 11.557 -3.772 1.00 0.00 C ATOM 627 C GLN A 38 -1.700 10.388 -4.295 1.00 0.00 C ATOM 628 O GLN A 38 -2.672 9.976 -3.659 1.00 0.00 O ATOM 629 CB GLN A 38 -1.288 12.850 -4.451 1.00 0.00 C ATOM 630 CG GLN A 38 -2.685 13.259 -4.087 1.00 0.00 C ATOM 631 CD GLN A 38 -3.150 14.500 -4.814 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.746 14.763 -5.944 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.001 15.276 -4.165 1.00 0.00 N ATOM 0 H GLN A 38 0.944 11.965 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.036 11.631 -2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.596 13.645 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.218 12.729 -5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.367 12.438 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.737 13.434 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.311 15.020 -3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.347 16.130 -4.602 1.00 0.00 H new ATOM 642 N GLU A 39 -1.321 9.856 -5.455 1.00 0.00 N ATOM 643 CA GLU A 39 -2.021 8.712 -6.025 1.00 0.00 C ATOM 644 C GLU A 39 -1.823 7.472 -5.162 1.00 0.00 C ATOM 645 O GLU A 39 -2.713 6.628 -5.073 1.00 0.00 O ATOM 646 CB GLU A 39 -1.578 8.436 -7.462 1.00 0.00 C ATOM 647 CG GLU A 39 -2.073 9.472 -8.454 1.00 0.00 C ATOM 648 CD GLU A 39 -2.009 8.981 -9.886 1.00 0.00 C ATOM 649 OE1 GLU A 39 -2.958 8.293 -10.324 1.00 0.00 O ATOM 650 OE2 GLU A 39 -1.017 9.275 -10.579 1.00 0.00 O ATOM 0 H GLU A 39 -0.539 10.197 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.082 8.959 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.489 8.400 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.940 7.453 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.101 9.741 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.475 10.378 -8.357 1.00 0.00 H new ATOM 657 N ILE A 40 -0.659 7.370 -4.520 1.00 0.00 N ATOM 658 CA ILE A 40 -0.411 6.301 -3.557 1.00 0.00 C ATOM 659 C ILE A 40 -1.459 6.356 -2.450 1.00 0.00 C ATOM 660 O ILE A 40 -2.103 5.357 -2.140 1.00 0.00 O ATOM 661 CB ILE A 40 1.000 6.407 -2.929 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.075 6.295 -4.010 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.201 5.331 -1.870 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.482 6.537 -3.503 1.00 0.00 C ATOM 0 H ILE A 40 0.123 8.012 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.473 5.353 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 40 1.088 7.382 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.026 5.302 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.856 7.011 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.199 5.424 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.456 5.451 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.092 4.347 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.188 6.440 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.550 7.541 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.722 5.805 -2.732 1.00 0.00 H new ATOM 676 N VAL A 41 -1.646 7.550 -1.893 1.00 0.00 N ATOM 677 CA VAL A 41 -2.656 7.781 -0.865 1.00 0.00 C ATOM 678 C VAL A 41 -4.042 7.379 -1.364 1.00 0.00 C ATOM 679 O VAL A 41 -4.791 6.691 -0.670 1.00 0.00 O ATOM 680 CB VAL A 41 -2.683 9.267 -0.439 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.800 9.533 0.559 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.338 9.681 0.140 1.00 0.00 C ATOM 0 H VAL A 41 -1.106 8.379 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.391 7.167 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.878 9.867 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.794 10.586 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.760 9.284 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.648 8.920 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.376 10.730 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.113 9.067 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.560 9.543 -0.611 1.00 0.00 H new ATOM 692 N LYS A 42 -4.370 7.807 -2.577 1.00 0.00 N ATOM 693 CA LYS A 42 -5.669 7.515 -3.170 1.00 0.00 C ATOM 694 C LYS A 42 -5.868 6.012 -3.356 1.00 0.00 C ATOM 695 O LYS A 42 -6.928 5.476 -3.036 1.00 0.00 O ATOM 696 CB LYS A 42 -5.815 8.236 -4.515 1.00 0.00 C ATOM 697 CG LYS A 42 -5.796 9.753 -4.398 1.00 0.00 C ATOM 698 CD LYS A 42 -7.001 10.271 -3.628 1.00 0.00 C ATOM 699 CE LYS A 42 -6.898 11.765 -3.359 1.00 0.00 C ATOM 700 NZ LYS A 42 -6.722 12.550 -4.608 1.00 0.00 N ATOM 0 H LYS A 42 -3.752 8.359 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.437 7.877 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.008 7.921 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.750 7.928 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.881 10.068 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.783 10.195 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.910 10.065 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.086 9.736 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.797 12.102 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.058 11.955 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.775 13.566 -4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.795 12.334 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.473 12.301 -5.283 1.00 0.00 H new ATOM 714 N ALA A 43 -4.840 5.338 -3.858 1.00 0.00 N ATOM 715 CA ALA A 43 -4.921 3.908 -4.125 1.00 0.00 C ATOM 716 C ALA A 43 -4.981 3.104 -2.833 1.00 0.00 C ATOM 717 O ALA A 43 -5.828 2.222 -2.684 1.00 0.00 O ATOM 718 CB ALA A 43 -3.741 3.460 -4.972 1.00 0.00 C ATOM 0 H ALA A 43 -3.940 5.760 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.843 3.723 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.816 2.389 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.748 3.999 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.812 3.670 -4.442 1.00 0.00 H new ATOM 724 N GLU A 44 -4.099 3.422 -1.891 1.00 0.00 N ATOM 725 CA GLU A 44 -4.045 2.685 -0.639 1.00 0.00 C ATOM 726 C GLU A 44 -5.314 2.905 0.177 1.00 0.00 C ATOM 727 O GLU A 44 -5.854 1.961 0.736 1.00 0.00 O ATOM 728 CB GLU A 44 -2.806 3.063 0.179 1.00 0.00 C ATOM 729 CG GLU A 44 -1.491 2.698 -0.500 1.00 0.00 C ATOM 730 CD GLU A 44 -0.295 2.805 0.427 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.017 3.914 0.882 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.340 1.759 0.712 1.00 0.00 O ATOM 0 H GLU A 44 -3.419 4.178 -1.971 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.973 1.625 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.821 4.136 0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.855 2.566 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.557 1.680 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.338 3.352 -1.358 1.00 0.00 H new ATOM 739 N LYS A 45 -5.810 4.141 0.215 1.00 0.00 N ATOM 740 CA LYS A 45 -7.039 4.440 0.948 1.00 0.00 C ATOM 741 C LYS A 45 -8.262 3.834 0.275 1.00 0.00 C ATOM 742 O LYS A 45 -9.252 3.540 0.941 1.00 0.00 O ATOM 743 CB LYS A 45 -7.220 5.939 1.191 1.00 0.00 C ATOM 744 CG LYS A 45 -6.790 6.331 2.592 1.00 0.00 C ATOM 745 CD LYS A 45 -6.897 7.821 2.860 1.00 0.00 C ATOM 746 CE LYS A 45 -6.293 8.147 4.216 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.408 9.583 4.570 1.00 0.00 N ATOM 0 H LYS A 45 -5.385 4.944 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.938 3.970 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.638 6.500 0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.265 6.209 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.403 5.794 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.759 6.014 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.380 8.378 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.942 8.130 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.787 7.549 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.241 7.861 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.980 9.746 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.914 10.157 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.412 9.854 4.597 1.00 0.00 H new ATOM 761 N GLN A 46 -8.211 3.670 -1.039 1.00 0.00 N ATOM 762 CA GLN A 46 -9.248 2.924 -1.738 1.00 0.00 C ATOM 763 C GLN A 46 -9.297 1.502 -1.181 1.00 0.00 C ATOM 764 O GLN A 46 -10.371 0.945 -0.944 1.00 0.00 O ATOM 765 CB GLN A 46 -8.964 2.889 -3.240 1.00 0.00 C ATOM 766 CG GLN A 46 -9.955 2.059 -4.045 1.00 0.00 C ATOM 767 CD GLN A 46 -11.386 2.556 -3.943 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.827 3.386 -4.737 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.121 2.045 -2.966 1.00 0.00 N ATOM 0 H GLN A 46 -7.472 4.039 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.210 3.414 -1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.967 3.910 -3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.961 2.492 -3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.652 2.061 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.913 1.025 -3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.717 1.359 -2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.091 2.338 -2.851 1.00 0.00 H new ATOM 778 N GLY A 47 -8.118 0.936 -0.964 1.00 0.00 N ATOM 779 CA GLY A 47 -8.015 -0.355 -0.313 1.00 0.00 C ATOM 780 C GLY A 47 -8.410 -0.286 1.149 1.00 0.00 C ATOM 781 O GLY A 47 -9.162 -1.125 1.635 1.00 0.00 O ATOM 0 H GLY A 47 -7.225 1.351 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.654 -1.073 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.992 -0.722 -0.395 1.00 0.00 H new ATOM 785 N VAL A 48 -7.910 0.723 1.847 1.00 0.00 N ATOM 786 CA VAL A 48 -8.255 0.940 3.247 1.00 0.00 C ATOM 787 C VAL A 48 -9.770 1.013 3.428 1.00 0.00 C ATOM 788 O VAL A 48 -10.306 0.492 4.398 1.00 0.00 O ATOM 789 CB VAL A 48 -7.601 2.233 3.794 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.121 2.566 5.182 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.086 2.095 3.821 1.00 0.00 C ATOM 0 H VAL A 48 -7.260 1.409 1.465 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.870 0.091 3.812 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.869 3.051 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.644 3.478 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.200 2.713 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.892 1.746 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.644 3.013 4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.808 1.259 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.719 1.914 2.811 1.00 0.00 H new ATOM 801 N LYS A 49 -10.450 1.638 2.473 1.00 0.00 N ATOM 802 CA LYS A 49 -11.900 1.789 2.530 1.00 0.00 C ATOM 803 C LYS A 49 -12.590 0.427 2.646 1.00 0.00 C ATOM 804 O LYS A 49 -13.397 0.204 3.551 1.00 0.00 O ATOM 805 CB LYS A 49 -12.383 2.506 1.262 1.00 0.00 C ATOM 806 CG LYS A 49 -13.872 2.811 1.236 1.00 0.00 C ATOM 807 CD LYS A 49 -14.214 4.020 2.090 1.00 0.00 C ATOM 808 CE LYS A 49 -15.699 4.336 2.024 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.032 5.608 2.718 1.00 0.00 N ATOM 0 H LYS A 49 -10.018 2.050 1.646 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.155 2.376 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.832 3.441 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.136 1.891 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.189 2.990 0.209 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -14.427 1.944 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.925 3.832 3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.640 4.882 1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.009 4.401 0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.263 3.519 2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.055 5.784 2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.760 5.539 3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.514 6.392 2.273 1.00 0.00 H new ATOM 823 N VAL A 50 -12.250 -0.484 1.740 1.00 0.00 N ATOM 824 CA VAL A 50 -12.857 -1.808 1.726 1.00 0.00 C ATOM 825 C VAL A 50 -12.359 -2.678 2.882 1.00 0.00 C ATOM 826 O VAL A 50 -13.117 -3.467 3.444 1.00 0.00 O ATOM 827 CB VAL A 50 -12.642 -2.530 0.376 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.442 -1.848 -0.723 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.168 -2.584 -0.001 1.00 0.00 C ATOM 0 H VAL A 50 -11.558 -0.329 1.007 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.928 -1.654 1.857 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.995 -3.555 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.280 -2.368 -1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.502 -1.875 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.118 -0.812 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.055 -3.098 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.777 -1.570 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.615 -3.122 0.769 1.00 0.00 H new ATOM 839 N TYR A 51 -11.090 -2.522 3.245 1.00 0.00 N ATOM 840 CA TYR A 51 -10.507 -3.303 4.334 1.00 0.00 C ATOM 841 C TYR A 51 -11.034 -2.851 5.690 1.00 0.00 C ATOM 842 O TYR A 51 -11.253 -3.672 6.575 1.00 0.00 O ATOM 843 CB TYR A 51 -8.977 -3.241 4.303 1.00 0.00 C ATOM 844 CG TYR A 51 -8.355 -4.207 3.315 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.261 -5.562 3.611 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.861 -3.769 2.094 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.693 -6.451 2.720 1.00 0.00 C ATOM 848 CE2 TYR A 51 -7.293 -4.651 1.196 1.00 0.00 C ATOM 849 CZ TYR A 51 -7.210 -5.991 1.514 1.00 0.00 C ATOM 850 OH TYR A 51 -6.645 -6.875 0.621 1.00 0.00 O ATOM 0 H TYR A 51 -10.446 -1.865 2.804 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.809 -4.340 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.667 -2.227 4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.592 -3.455 5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.639 -5.926 4.555 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.922 -2.721 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.628 -7.500 2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.916 -4.294 0.249 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.575 -6.451 -0.260 1.00 0.00 H new ATOM 860 N LYS A 52 -11.237 -1.553 5.857 1.00 0.00 N ATOM 861 CA LYS A 52 -11.777 -1.015 7.103 1.00 0.00 C ATOM 862 C LYS A 52 -13.215 -1.495 7.301 1.00 0.00 C ATOM 863 O LYS A 52 -13.668 -1.706 8.429 1.00 0.00 O ATOM 864 CB LYS A 52 -11.704 0.517 7.079 1.00 0.00 C ATOM 865 CG LYS A 52 -11.962 1.181 8.422 1.00 0.00 C ATOM 866 CD LYS A 52 -11.537 2.646 8.399 1.00 0.00 C ATOM 867 CE LYS A 52 -10.040 2.783 8.139 1.00 0.00 C ATOM 868 NZ LYS A 52 -9.607 4.203 8.021 1.00 0.00 N ATOM 0 H LYS A 52 -11.037 -0.849 5.146 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.182 -1.375 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.718 0.816 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.430 0.892 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.021 1.110 8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.416 0.653 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.093 3.176 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.788 3.115 9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.489 2.305 8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.784 2.252 7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.583 4.240 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.111 4.655 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.825 4.707 8.904 1.00 0.00 H new ATOM 882 N GLU A 53 -13.921 -1.670 6.191 1.00 0.00 N ATOM 883 CA GLU A 53 -15.256 -2.255 6.205 1.00 0.00 C ATOM 884 C GLU A 53 -15.166 -3.729 6.604 1.00 0.00 C ATOM 885 O GLU A 53 -15.931 -4.217 7.434 1.00 0.00 O ATOM 886 CB GLU A 53 -15.884 -2.128 4.813 1.00 0.00 C ATOM 887 CG GLU A 53 -17.322 -1.628 4.811 1.00 0.00 C ATOM 888 CD GLU A 53 -18.283 -2.537 5.551 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.578 -3.641 5.052 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.770 -2.137 6.631 1.00 0.00 O ATOM 0 H GLU A 53 -13.588 -1.413 5.262 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.878 -1.727 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.276 -1.449 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.851 -3.101 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.353 -0.636 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.659 -1.520 3.780 1.00 0.00 H new ATOM 897 N ALA A 54 -14.196 -4.416 6.011 1.00 0.00 N ATOM 898 CA ALA A 54 -14.006 -5.846 6.212 1.00 0.00 C ATOM 899 C ALA A 54 -13.481 -6.174 7.609 1.00 0.00 C ATOM 900 O ALA A 54 -13.796 -7.225 8.152 1.00 0.00 O ATOM 901 CB ALA A 54 -13.058 -6.399 5.158 1.00 0.00 C ATOM 0 H ALA A 54 -13.518 -3.995 5.376 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.984 -6.318 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.922 -7.469 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.478 -6.229 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.094 -5.895 5.235 1.00 0.00 H new ATOM 907 N ALA A 55 -12.675 -5.286 8.180 1.00 0.00 N ATOM 908 CA ALA A 55 -12.069 -5.521 9.493 1.00 0.00 C ATOM 909 C ALA A 55 -13.123 -5.758 10.571 1.00 0.00 C ATOM 910 O ALA A 55 -12.950 -6.595 11.455 1.00 0.00 O ATOM 911 CB ALA A 55 -11.173 -4.351 9.877 1.00 0.00 C ATOM 0 H ALA A 55 -12.423 -4.393 7.756 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.465 -6.426 9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.729 -4.538 10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.383 -4.239 9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.765 -3.437 9.917 1.00 0.00 H new ATOM 917 N GLU A 56 -14.224 -5.031 10.478 1.00 0.00 N ATOM 918 CA GLU A 56 -15.300 -5.138 11.456 1.00 0.00 C ATOM 919 C GLU A 56 -16.323 -6.182 11.012 1.00 0.00 C ATOM 920 O GLU A 56 -17.390 -6.325 11.615 1.00 0.00 O ATOM 921 CB GLU A 56 -15.979 -3.780 11.616 1.00 0.00 C ATOM 922 CG GLU A 56 -15.026 -2.660 12.007 1.00 0.00 C ATOM 923 CD GLU A 56 -14.623 -2.708 13.465 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.912 -3.651 13.867 1.00 0.00 O ATOM 925 OE2 GLU A 56 -15.005 -1.785 14.216 1.00 0.00 O ATOM 0 H GLU A 56 -14.399 -4.357 9.733 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.880 -5.450 12.412 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.470 -3.517 10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.760 -3.861 12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.132 -2.718 11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.497 -1.700 11.798 1.00 0.00 H new ATOM 932 N LYS A 57 -15.981 -6.916 9.961 1.00 0.00 N ATOM 933 CA LYS A 57 -16.897 -7.867 9.348 1.00 0.00 C ATOM 934 C LYS A 57 -16.121 -9.087 8.842 1.00 0.00 C ATOM 935 O LYS A 57 -16.544 -9.784 7.916 1.00 0.00 O ATOM 936 CB LYS A 57 -17.620 -7.159 8.196 1.00 0.00 C ATOM 937 CG LYS A 57 -18.864 -7.865 7.687 1.00 0.00 C ATOM 938 CD LYS A 57 -19.594 -7.007 6.663 1.00 0.00 C ATOM 939 CE LYS A 57 -20.100 -5.712 7.287 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.622 -4.768 6.267 1.00 0.00 N ATOM 0 H LYS A 57 -15.066 -6.869 9.512 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.629 -8.218 10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.898 -6.157 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.922 -7.042 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.588 -8.819 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.529 -8.087 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -18.924 -6.777 5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.433 -7.566 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -20.887 -5.940 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.290 -5.236 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.908 -3.881 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.880 -4.569 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -21.444 -5.191 5.791 1.00 0.00 H new ATOM 954 N ALA A 58 -14.984 -9.345 9.480 1.00 0.00 N ATOM 955 CA ALA A 58 -14.068 -10.391 9.038 1.00 0.00 C ATOM 956 C ALA A 58 -14.541 -11.786 9.440 1.00 0.00 C ATOM 957 O ALA A 58 -14.024 -12.783 8.935 1.00 0.00 O ATOM 958 CB ALA A 58 -12.679 -10.126 9.593 1.00 0.00 C ATOM 0 H ALA A 58 -14.673 -8.840 10.310 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.041 -10.365 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.999 -10.910 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.322 -9.160 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.718 -10.118 10.682 1.00 0.00 H new ATOM 964 N ARG A 59 -15.520 -11.842 10.349 1.00 0.00 N ATOM 965 CA ARG A 59 -16.105 -13.106 10.827 1.00 0.00 C ATOM 966 C ARG A 59 -15.130 -13.871 11.728 1.00 0.00 C ATOM 967 O ARG A 59 -15.399 -14.082 12.909 1.00 0.00 O ATOM 968 CB ARG A 59 -16.544 -13.998 9.656 1.00 0.00 C ATOM 969 CG ARG A 59 -17.505 -13.328 8.683 1.00 0.00 C ATOM 970 CD ARG A 59 -18.846 -13.007 9.323 1.00 0.00 C ATOM 971 NE ARG A 59 -19.530 -14.205 9.807 1.00 0.00 N ATOM 972 CZ ARG A 59 -20.336 -14.961 9.060 1.00 0.00 C ATOM 973 NH1 ARG A 59 -20.503 -14.691 7.774 1.00 0.00 N ATOM 974 NH2 ARG A 59 -20.956 -16.003 9.595 1.00 0.00 N ATOM 0 H ARG A 59 -15.932 -11.013 10.777 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.985 -12.845 11.414 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.658 -14.321 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.017 -14.895 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.055 -12.409 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.662 -13.980 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.694 -12.317 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.480 -12.497 8.597 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.381 -14.480 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.014 -13.902 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.120 -15.272 7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.817 -16.228 10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.572 -16.580 9.022 1.00 0.00 H new ATOM 988 N ASN A 60 -14.000 -14.281 11.166 1.00 0.00 N ATOM 989 CA ASN A 60 -13.000 -15.041 11.908 1.00 0.00 C ATOM 990 C ASN A 60 -12.019 -14.111 12.609 1.00 0.00 C ATOM 991 O ASN A 60 -11.623 -13.082 12.056 1.00 0.00 O ATOM 992 CB ASN A 60 -12.230 -15.986 10.979 1.00 0.00 C ATOM 993 CG ASN A 60 -13.033 -17.206 10.566 1.00 0.00 C ATOM 994 OD1 ASN A 60 -13.888 -17.691 11.452 1.00 0.00 O flip ATOM 995 ND2 ASN A 60 -12.868 -17.721 9.459 1.00 0.00 N flip ATOM 0 H ASN A 60 -13.752 -14.099 10.194 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.528 -15.631 12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.927 -15.439 10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.318 -16.312 11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.199 -17.317 8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.400 -18.551 9.198 1.00 0.00 H new ATOM 1002 N PRO A 61 -11.607 -14.468 13.837 1.00 0.00 N ATOM 1003 CA PRO A 61 -10.642 -13.681 14.612 1.00 0.00 C ATOM 1004 C PRO A 61 -9.306 -13.518 13.887 1.00 0.00 C ATOM 1005 O PRO A 61 -8.677 -12.463 13.966 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.455 -14.486 15.908 1.00 0.00 C ATOM 1007 CG PRO A 61 -10.989 -15.846 15.611 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.062 -15.656 14.576 1.00 0.00 C ATOM 0 HA PRO A 61 -11.001 -12.666 14.782 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.404 -14.531 16.194 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.992 -14.026 16.737 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.201 -16.501 15.240 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.393 -16.311 16.510 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.152 -16.525 13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.039 -15.497 15.033 1.00 0.00 H new ATOM 1016 N GLU A 62 -8.886 -14.559 13.165 1.00 0.00 N ATOM 1017 CA GLU A 62 -7.632 -14.505 12.421 1.00 0.00 C ATOM 1018 C GLU A 62 -7.713 -13.452 11.326 1.00 0.00 C ATOM 1019 O GLU A 62 -6.801 -12.643 11.160 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.317 -15.865 11.797 1.00 0.00 C ATOM 1021 CG GLU A 62 -5.994 -15.897 11.047 1.00 0.00 C ATOM 1022 CD GLU A 62 -5.763 -17.204 10.319 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -6.050 -18.266 10.902 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -5.281 -17.173 9.168 1.00 0.00 O ATOM 0 H GLU A 62 -9.392 -15.441 13.082 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.836 -14.241 13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.299 -16.621 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.120 -16.136 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.969 -15.077 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.179 -15.729 11.751 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.829 -13.443 10.606 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.042 -12.468 9.546 1.00 0.00 C ATOM 1033 C LYS A 63 -9.065 -11.064 10.133 1.00 0.00 C ATOM 1034 O LYS A 63 -8.456 -10.144 9.595 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.358 -12.748 8.808 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.372 -14.058 8.030 1.00 0.00 C ATOM 1037 CD LYS A 63 -9.395 -14.029 6.866 1.00 0.00 C ATOM 1038 CE LYS A 63 -9.491 -15.290 6.017 1.00 0.00 C ATOM 1039 NZ LYS A 63 -10.850 -15.479 5.448 1.00 0.00 N ATOM 0 H LYS A 63 -9.599 -14.099 10.738 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.222 -12.547 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.172 -12.760 9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.557 -11.927 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.118 -14.881 8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.378 -14.249 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.595 -13.156 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.379 -13.923 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.764 -15.237 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.229 -16.156 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.807 -16.162 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.488 -15.838 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.208 -14.569 5.094 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.746 -10.927 11.262 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.887 -9.641 11.928 1.00 0.00 C ATOM 1055 C ARG A 64 -8.513 -9.088 12.325 1.00 0.00 C ATOM 1056 O ARG A 64 -8.248 -7.897 12.168 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.797 -9.797 13.157 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.590 -8.545 13.512 1.00 0.00 C ATOM 1059 CD ARG A 64 -10.711 -7.467 14.118 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.348 -6.153 14.093 1.00 0.00 N ATOM 1061 CZ ARG A 64 -10.664 -5.013 14.082 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -9.344 -5.042 14.155 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -11.296 -3.851 14.006 1.00 0.00 N ATOM 0 H ARG A 64 -10.213 -11.698 11.739 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.345 -8.928 11.242 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.494 -10.616 12.977 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.186 -10.081 14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.074 -8.157 12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.382 -8.805 14.215 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.472 -7.733 15.148 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.768 -7.422 13.573 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.367 -6.108 14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.856 -5.936 14.219 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.814 -4.171 14.147 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.314 -3.827 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.764 -2.981 13.998 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.643 -9.960 12.829 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.309 -9.559 13.250 1.00 0.00 C ATOM 1079 C GLN A 65 -5.426 -9.211 12.047 1.00 0.00 C ATOM 1080 O GLN A 65 -4.746 -8.185 12.050 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.674 -10.687 14.057 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.951 -10.228 15.311 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.783 -9.299 15.028 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.664 -9.747 14.790 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -4.030 -7.999 15.070 1.00 0.00 N ATOM 0 H GLN A 65 -7.842 -10.952 12.955 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.395 -8.666 13.868 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.451 -11.398 14.339 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.969 -11.221 13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.660 -9.720 15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.588 -11.102 15.852 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.973 -7.665 15.271 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.278 -7.331 14.901 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.458 -10.055 11.016 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.629 -9.843 9.830 1.00 0.00 C ATOM 1096 C VAL A 66 -4.993 -8.534 9.138 1.00 0.00 C ATOM 1097 O VAL A 66 -4.120 -7.724 8.819 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.752 -11.011 8.824 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.989 -10.704 7.544 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.239 -12.303 9.443 1.00 0.00 C ATOM 0 H VAL A 66 -6.046 -10.888 10.978 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.595 -9.794 10.173 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.806 -11.135 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.090 -11.539 6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.395 -9.802 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.935 -10.550 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.333 -13.115 8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.192 -12.183 9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.825 -12.538 10.332 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.288 -8.322 8.928 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.761 -7.106 8.286 1.00 0.00 C ATOM 1112 C ILE A 67 -6.389 -5.880 9.119 1.00 0.00 C ATOM 1113 O ILE A 67 -5.969 -4.865 8.576 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.290 -7.130 8.055 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.671 -8.295 7.139 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.762 -5.811 7.456 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.164 -8.447 6.928 1.00 0.00 C ATOM 0 H ILE A 67 -7.025 -8.976 9.193 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.273 -7.048 7.313 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.782 -7.267 9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.189 -8.156 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.278 -9.220 7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.840 -5.847 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.521 -4.995 8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.263 -5.646 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.354 -9.293 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.651 -8.619 7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.562 -7.538 6.476 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.521 -5.995 10.440 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.222 -4.885 11.348 1.00 0.00 C ATOM 1131 C ASP A 68 -4.752 -4.495 11.270 1.00 0.00 C ATOM 1132 O ASP A 68 -4.417 -3.313 11.185 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.570 -5.262 12.787 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.408 -4.102 13.752 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.339 -3.270 13.848 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.369 -4.026 14.435 1.00 0.00 O ATOM 0 H ASP A 68 -6.833 -6.846 10.907 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.829 -4.034 11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.599 -5.620 12.826 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.933 -6.087 13.106 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.884 -5.501 11.279 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.443 -5.277 11.220 1.00 0.00 C ATOM 1143 C LYS A 69 -2.066 -4.510 9.954 1.00 0.00 C ATOM 1144 O LYS A 69 -1.305 -3.544 10.000 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.718 -6.626 11.243 1.00 0.00 C ATOM 1146 CG LYS A 69 -0.212 -6.537 11.030 1.00 0.00 C ATOM 1147 CD LYS A 69 0.386 -7.913 10.784 1.00 0.00 C ATOM 1148 CE LYS A 69 1.877 -7.844 10.493 1.00 0.00 C ATOM 1149 NZ LYS A 69 2.667 -7.445 11.685 1.00 0.00 N ATOM 0 H LYS A 69 -4.154 -6.483 11.327 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.145 -4.683 12.084 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.909 -7.111 12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.144 -7.267 10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.001 -5.887 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.256 -6.084 11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.216 -8.543 11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.125 -8.386 9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.221 -8.816 10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.055 -7.132 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.679 -7.445 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.382 -6.491 11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.494 -8.119 12.458 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.612 -4.944 8.828 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.349 -4.299 7.553 1.00 0.00 C ATOM 1165 C ILE A 70 -3.060 -2.950 7.456 1.00 0.00 C ATOM 1166 O ILE A 70 -2.497 -1.991 6.942 1.00 0.00 O ATOM 1167 CB ILE A 70 -2.731 -5.219 6.373 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -1.768 -6.411 6.347 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.705 -4.462 5.049 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.920 -7.305 5.140 1.00 0.00 C ATOM 0 H ILE A 70 -3.243 -5.744 8.773 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.277 -4.111 7.493 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.751 -5.578 6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.745 -6.037 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.921 -7.006 7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.978 -5.137 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.415 -3.636 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.703 -4.071 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.202 -8.123 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.931 -7.711 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.737 -6.727 4.234 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.279 -2.879 7.977 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.056 -1.643 7.961 1.00 0.00 C ATOM 1184 C LEU A 71 -4.299 -0.535 8.692 1.00 0.00 C ATOM 1185 O LEU A 71 -4.147 0.574 8.176 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.430 -1.883 8.611 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.532 -0.854 8.298 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.276 0.476 8.993 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.659 -0.656 6.795 1.00 0.00 C ATOM 0 H LEU A 71 -4.754 -3.667 8.418 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.209 -1.329 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.785 -2.866 8.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.294 -1.918 9.692 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.472 -1.248 8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.075 1.175 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.247 0.323 10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.322 0.884 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.442 0.074 6.589 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.712 -0.295 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.915 -1.605 6.323 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.812 -0.849 9.889 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.079 0.118 10.690 1.00 0.00 C ATOM 1203 C GLU A 72 -1.776 0.500 9.995 1.00 0.00 C ATOM 1204 O GLU A 72 -1.353 1.657 10.034 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.790 -0.453 12.082 1.00 0.00 C ATOM 1206 CG GLU A 72 -2.247 0.572 13.070 1.00 0.00 C ATOM 1207 CD GLU A 72 -3.248 1.666 13.383 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.364 2.619 12.585 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -3.922 1.584 14.432 1.00 0.00 O ATOM 0 H GLU A 72 -3.913 -1.766 10.323 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.691 1.013 10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.707 -0.881 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.072 -1.268 11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.965 0.067 13.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.341 1.020 12.662 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.151 -0.475 9.340 1.00 0.00 N ATOM 1217 CA ASP A 73 0.104 -0.236 8.635 1.00 0.00 C ATOM 1218 C ASP A 73 -0.135 0.605 7.397 1.00 0.00 C ATOM 1219 O ASP A 73 0.639 1.501 7.086 1.00 0.00 O ATOM 1220 CB ASP A 73 0.754 -1.543 8.197 1.00 0.00 C ATOM 1221 CG ASP A 73 2.255 -1.535 8.390 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.722 -1.285 9.517 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.977 -1.767 7.395 1.00 0.00 O ATOM 0 H ASP A 73 -1.492 -1.435 9.283 1.00 0.00 H new ATOM 0 HA ASP A 73 0.764 0.285 9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.322 -2.368 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.527 -1.724 7.147 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.209 0.299 6.690 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.533 0.976 5.447 1.00 0.00 C ATOM 1230 C GLU A 74 -1.816 2.455 5.710 1.00 0.00 C ATOM 1231 O GLU A 74 -1.347 3.320 4.970 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.730 0.279 4.787 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.585 0.086 3.283 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.253 -0.534 2.888 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.112 -1.787 2.890 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.326 0.224 2.562 1.00 0.00 O ATOM 0 H GLU A 74 -1.878 -0.422 6.960 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.685 0.922 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.873 -0.695 5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.630 0.862 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.395 -0.549 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.692 1.051 2.787 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.542 2.740 6.792 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.790 4.118 7.206 1.00 0.00 C ATOM 1245 C GLU A 75 -1.479 4.765 7.654 1.00 0.00 C ATOM 1246 O GLU A 75 -1.247 5.957 7.443 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.830 4.168 8.339 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.741 5.373 8.269 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.282 5.552 6.869 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -6.162 4.772 6.472 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -4.682 6.312 6.092 1.00 0.00 O ATOM 0 H GLU A 75 -2.967 2.035 7.395 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.190 4.673 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.436 3.262 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.311 4.170 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.566 5.253 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.194 6.267 8.570 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.623 3.951 8.264 1.00 0.00 N ATOM 1259 CA LYS A 76 0.698 4.387 8.708 1.00 0.00 C ATOM 1260 C LYS A 76 1.560 4.801 7.517 1.00 0.00 C ATOM 1261 O LYS A 76 2.300 5.782 7.584 1.00 0.00 O ATOM 1262 CB LYS A 76 1.382 3.255 9.473 1.00 0.00 C ATOM 1263 CG LYS A 76 2.790 3.572 9.945 1.00 0.00 C ATOM 1264 CD LYS A 76 3.539 2.299 10.308 1.00 0.00 C ATOM 1265 CE LYS A 76 2.815 1.510 11.388 1.00 0.00 C ATOM 1266 NZ LYS A 76 3.418 0.166 11.583 1.00 0.00 N ATOM 0 H LYS A 76 -0.825 2.971 8.465 1.00 0.00 H new ATOM 0 HA LYS A 76 0.577 5.250 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.772 2.999 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.417 2.372 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.329 4.105 9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.748 4.233 10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.654 1.678 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.542 2.552 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.847 2.063 12.327 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.765 1.402 11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.160 -0.197 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.064 -0.483 10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.453 0.236 11.512 1.00 0.00 H new ATOM 1280 N HIS A 77 1.468 4.041 6.430 1.00 0.00 N ATOM 1281 CA HIS A 77 2.204 4.361 5.211 1.00 0.00 C ATOM 1282 C HIS A 77 1.769 5.721 4.690 1.00 0.00 C ATOM 1283 O HIS A 77 2.589 6.579 4.362 1.00 0.00 O ATOM 1284 CB HIS A 77 1.948 3.331 4.109 1.00 0.00 C ATOM 1285 CG HIS A 77 2.352 1.927 4.431 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.900 0.840 3.721 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.158 1.434 5.407 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.423 -0.256 4.273 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.199 0.038 5.302 1.00 0.00 N ATOM 0 H HIS A 77 0.893 3.201 6.368 1.00 0.00 H new ATOM 0 HA HIS A 77 3.264 4.358 5.463 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.885 3.338 3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.479 3.646 3.211 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.275 0.867 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.682 2.023 6.145 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.235 -1.260 3.922 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.717 -0.612 5.893 1.00 0.00 H new ATOM 1296 N ILE A 78 0.458 5.900 4.632 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.144 7.097 4.073 1.00 0.00 C ATOM 1298 C ILE A 78 0.202 8.343 4.881 1.00 0.00 C ATOM 1299 O ILE A 78 0.549 9.373 4.305 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.672 6.934 3.974 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.994 5.787 3.016 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.334 8.229 3.520 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.466 5.498 2.882 1.00 0.00 C ATOM 0 H ILE A 78 -0.218 5.217 4.973 1.00 0.00 H new ATOM 0 HA ILE A 78 0.268 7.230 3.073 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.070 6.698 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.589 6.024 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.487 4.886 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.413 8.084 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.114 9.021 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.950 8.510 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.613 4.672 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.874 5.228 3.856 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.978 6.384 2.507 1.00 0.00 H new ATOM 1315 N GLU A 79 0.120 8.260 6.206 1.00 0.00 N ATOM 1316 CA GLU A 79 0.473 9.399 7.047 1.00 0.00 C ATOM 1317 C GLU A 79 1.954 9.733 6.888 1.00 0.00 C ATOM 1318 O GLU A 79 2.356 10.892 6.991 1.00 0.00 O ATOM 1319 CB GLU A 79 0.144 9.148 8.523 1.00 0.00 C ATOM 1320 CG GLU A 79 0.919 8.003 9.148 1.00 0.00 C ATOM 1321 CD GLU A 79 1.019 8.129 10.652 1.00 0.00 C ATOM 1322 OE1 GLU A 79 0.051 7.767 11.355 1.00 0.00 O ATOM 1323 OE2 GLU A 79 2.065 8.609 11.139 1.00 0.00 O ATOM 0 H GLU A 79 -0.183 7.429 6.714 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.127 10.247 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.344 10.058 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.923 8.943 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.435 7.060 8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.921 7.970 8.721 1.00 0.00 H new ATOM 1330 N TRP A 80 2.761 8.707 6.642 1.00 0.00 N ATOM 1331 CA TRP A 80 4.186 8.891 6.412 1.00 0.00 C ATOM 1332 C TRP A 80 4.414 9.617 5.088 1.00 0.00 C ATOM 1333 O TRP A 80 5.081 10.654 5.046 1.00 0.00 O ATOM 1334 CB TRP A 80 4.903 7.534 6.413 1.00 0.00 C ATOM 1335 CG TRP A 80 6.388 7.625 6.250 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.150 6.916 5.374 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.286 8.473 6.972 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.473 7.259 5.513 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.581 8.221 6.483 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.122 9.422 7.982 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.705 8.879 6.975 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.235 10.078 8.466 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.513 9.805 7.962 1.00 0.00 C ATOM 0 H TRP A 80 2.450 7.737 6.597 1.00 0.00 H new ATOM 0 HA TRP A 80 4.598 9.499 7.217 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.682 7.020 7.348 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.497 6.921 5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.770 6.189 4.671 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.248 6.863 4.981 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.141 9.639 8.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.692 8.666 6.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.119 10.815 9.247 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.364 10.337 8.361 1.00 0.00 H new ATOM 1354 N HIS A 81 3.846 9.074 4.014 1.00 0.00 N ATOM 1355 CA HIS A 81 3.963 9.684 2.692 1.00 0.00 C ATOM 1356 C HIS A 81 3.376 11.091 2.657 1.00 0.00 C ATOM 1357 O HIS A 81 3.932 11.978 2.014 1.00 0.00 O ATOM 1358 CB HIS A 81 3.291 8.814 1.630 1.00 0.00 C ATOM 1359 CG HIS A 81 4.180 7.733 1.105 1.00 0.00 C ATOM 1360 ND1 HIS A 81 5.082 7.923 0.086 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.307 6.438 1.484 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.722 6.770 -0.121 1.00 0.00 C ATOM 1363 NE2 HIS A 81 5.292 5.835 0.703 1.00 0.00 N ATOM 0 H HIS A 81 3.300 8.213 4.033 1.00 0.00 H new ATOM 0 HA HIS A 81 5.028 9.760 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.393 8.364 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.970 9.446 0.802 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.236 8.793 -0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.738 5.953 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.491 6.623 -0.865 1.00 0.00 H new ATOM 1371 N LYS A 82 2.257 11.296 3.341 1.00 0.00 N ATOM 1372 CA LYS A 82 1.619 12.608 3.379 1.00 0.00 C ATOM 1373 C LYS A 82 2.557 13.649 3.988 1.00 0.00 C ATOM 1374 O LYS A 82 2.680 14.763 3.473 1.00 0.00 O ATOM 1375 CB LYS A 82 0.306 12.546 4.170 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.393 13.892 4.302 1.00 0.00 C ATOM 1377 CD LYS A 82 -0.712 14.493 2.941 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.237 15.913 3.075 1.00 0.00 C ATOM 1379 NZ LYS A 82 -1.446 16.565 1.754 1.00 0.00 N ATOM 0 H LYS A 82 1.773 10.574 3.875 1.00 0.00 H new ATOM 0 HA LYS A 82 1.394 12.906 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.369 11.842 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.510 12.153 5.166 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.314 13.770 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.241 14.578 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.184 14.491 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.452 13.875 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.179 15.900 3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.534 16.504 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.804 17.531 1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.543 16.603 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.137 16.017 1.202 1.00 0.00 H new ATOM 1393 N ALA A 83 3.231 13.270 5.065 1.00 0.00 N ATOM 1394 CA ALA A 83 4.138 14.175 5.760 1.00 0.00 C ATOM 1395 C ALA A 83 5.363 14.494 4.906 1.00 0.00 C ATOM 1396 O ALA A 83 5.792 15.645 4.824 1.00 0.00 O ATOM 1397 CB ALA A 83 4.562 13.578 7.094 1.00 0.00 C ATOM 0 H ALA A 83 3.167 12.339 5.478 1.00 0.00 H new ATOM 0 HA ALA A 83 3.606 15.108 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.239 14.265 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.681 13.412 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.070 12.629 6.923 1.00 0.00 H new ATOM 1403 N ALA A 84 5.914 13.471 4.264 1.00 0.00 N ATOM 1404 CA ALA A 84 7.119 13.629 3.455 1.00 0.00 C ATOM 1405 C ALA A 84 6.814 14.312 2.124 1.00 0.00 C ATOM 1406 O ALA A 84 7.708 14.855 1.476 1.00 0.00 O ATOM 1407 CB ALA A 84 7.771 12.277 3.216 1.00 0.00 C ATOM 0 H ALA A 84 5.545 12.520 4.287 1.00 0.00 H new ATOM 0 HA ALA A 84 7.810 14.267 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.669 12.408 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.040 11.828 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.073 11.624 2.692 1.00 0.00 H new ATOM 1484 N ALA A 90 14.025 14.353 -1.431 1.00 0.00 N ATOM 1485 CA ALA A 90 14.403 13.708 -2.692 1.00 0.00 C ATOM 1486 C ALA A 90 15.064 12.336 -2.499 1.00 0.00 C ATOM 1487 O ALA A 90 14.404 11.304 -2.623 1.00 0.00 O ATOM 1488 CB ALA A 90 15.294 14.624 -3.527 1.00 0.00 C ATOM 0 HA ALA A 90 13.473 13.528 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.561 14.123 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.758 15.546 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.200 14.858 -2.968 1.00 0.00 H new ATOM 1494 N GLU A 91 16.355 12.326 -2.176 1.00 0.00 N ATOM 1495 CA GLU A 91 17.154 11.098 -2.228 1.00 0.00 C ATOM 1496 C GLU A 91 16.755 10.083 -1.159 1.00 0.00 C ATOM 1497 O GLU A 91 16.570 8.904 -1.459 1.00 0.00 O ATOM 1498 CB GLU A 91 18.644 11.417 -2.103 1.00 0.00 C ATOM 1499 CG GLU A 91 19.198 12.220 -3.268 1.00 0.00 C ATOM 1500 CD GLU A 91 20.699 12.399 -3.194 1.00 0.00 C ATOM 1501 OE1 GLU A 91 21.435 11.481 -3.619 1.00 0.00 O ATOM 1502 OE2 GLU A 91 21.153 13.458 -2.711 1.00 0.00 O ATOM 0 H GLU A 91 16.872 13.152 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 91 16.954 10.645 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.811 11.971 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.200 10.483 -2.020 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.942 11.721 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.720 13.199 -3.288 1.00 0.00 H new ATOM 1509 N GLN A 92 16.619 10.530 0.081 1.00 0.00 N ATOM 1510 CA GLN A 92 16.272 9.626 1.174 1.00 0.00 C ATOM 1511 C GLN A 92 14.846 9.113 0.997 1.00 0.00 C ATOM 1512 O GLN A 92 14.534 7.975 1.347 1.00 0.00 O ATOM 1513 CB GLN A 92 16.440 10.305 2.540 1.00 0.00 C ATOM 1514 CG GLN A 92 17.890 10.490 2.983 1.00 0.00 C ATOM 1515 CD GLN A 92 18.676 11.434 2.091 1.00 0.00 C ATOM 1516 OE1 GLN A 92 19.299 11.012 1.119 1.00 0.00 O ATOM 1517 NE2 GLN A 92 18.660 12.717 2.420 1.00 0.00 N ATOM 0 H GLN A 92 16.742 11.504 0.357 1.00 0.00 H new ATOM 0 HA GLN A 92 16.958 8.779 1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.956 11.281 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.917 9.714 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 92 17.905 10.870 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.385 9.519 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.131 13.028 3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.177 13.394 1.859 1.00 0.00 H new ATOM 1526 N PHE A 93 13.992 9.969 0.448 1.00 0.00 N ATOM 1527 CA PHE A 93 12.621 9.603 0.116 1.00 0.00 C ATOM 1528 C PHE A 93 12.593 8.384 -0.804 1.00 0.00 C ATOM 1529 O PHE A 93 11.741 7.507 -0.659 1.00 0.00 O ATOM 1530 CB PHE A 93 11.914 10.794 -0.543 1.00 0.00 C ATOM 1531 CG PHE A 93 10.565 10.472 -1.125 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.456 10.315 -0.309 1.00 0.00 C ATOM 1533 CD2 PHE A 93 10.410 10.323 -2.494 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.218 10.016 -0.849 1.00 0.00 C ATOM 1535 CE2 PHE A 93 9.177 10.022 -3.038 1.00 0.00 C ATOM 1536 CZ PHE A 93 8.079 9.869 -2.216 1.00 0.00 C ATOM 0 H PHE A 93 14.230 10.934 0.221 1.00 0.00 H new ATOM 0 HA PHE A 93 12.094 9.341 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.797 11.586 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.553 11.188 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.559 10.427 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.264 10.444 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.361 9.898 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.072 9.906 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.114 9.635 -2.640 1.00 0.00 H new ATOM 1546 N ALA A 94 13.539 8.324 -1.736 1.00 0.00 N ATOM 1547 CA ALA A 94 13.637 7.196 -2.653 1.00 0.00 C ATOM 1548 C ALA A 94 13.897 5.897 -1.893 1.00 0.00 C ATOM 1549 O ALA A 94 13.348 4.847 -2.232 1.00 0.00 O ATOM 1550 CB ALA A 94 14.730 7.444 -3.682 1.00 0.00 C ATOM 0 H ALA A 94 14.248 9.044 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 94 12.685 7.096 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.791 6.593 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.497 8.345 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.686 7.573 -3.174 1.00 0.00 H new ATOM 1556 N SER A 95 14.723 5.980 -0.855 1.00 0.00 N ATOM 1557 CA SER A 95 15.014 4.828 -0.010 1.00 0.00 C ATOM 1558 C SER A 95 13.777 4.430 0.795 1.00 0.00 C ATOM 1559 O SER A 95 13.545 3.250 1.058 1.00 0.00 O ATOM 1560 CB SER A 95 16.179 5.150 0.929 1.00 0.00 C ATOM 1561 OG SER A 95 17.325 5.555 0.196 1.00 0.00 O ATOM 0 H SER A 95 15.204 6.836 -0.578 1.00 0.00 H new ATOM 0 HA SER A 95 15.295 3.988 -0.646 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.886 5.941 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.419 4.274 1.531 1.00 0.00 H new ATOM 0 HG SER A 95 18.056 5.757 0.817 1.00 0.00 H new ATOM 1567 N LEU A 96 12.975 5.424 1.164 1.00 0.00 N ATOM 1568 CA LEU A 96 11.744 5.185 1.909 1.00 0.00 C ATOM 1569 C LEU A 96 10.748 4.400 1.060 1.00 0.00 C ATOM 1570 O LEU A 96 9.992 3.572 1.571 1.00 0.00 O ATOM 1571 CB LEU A 96 11.120 6.511 2.355 1.00 0.00 C ATOM 1572 CG LEU A 96 12.017 7.392 3.230 1.00 0.00 C ATOM 1573 CD1 LEU A 96 11.325 8.710 3.538 1.00 0.00 C ATOM 1574 CD2 LEU A 96 12.387 6.672 4.519 1.00 0.00 C ATOM 0 H LEU A 96 13.157 6.406 0.958 1.00 0.00 H new ATOM 0 HA LEU A 96 11.990 4.598 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.836 7.077 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.203 6.296 2.903 1.00 0.00 H new ATOM 0 HG LEU A 96 12.935 7.600 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.975 9.325 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.111 9.235 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.392 8.516 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.024 7.316 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.481 6.432 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.922 5.752 4.281 1.00 0.00 H new ATOM 1586 N VAL A 97 10.758 4.655 -0.243 1.00 0.00 N ATOM 1587 CA VAL A 97 9.895 3.937 -1.171 1.00 0.00 C ATOM 1588 C VAL A 97 10.275 2.459 -1.213 1.00 0.00 C ATOM 1589 O VAL A 97 9.412 1.587 -1.304 1.00 0.00 O ATOM 1590 CB VAL A 97 9.973 4.531 -2.595 1.00 0.00 C ATOM 1591 CG1 VAL A 97 9.022 3.812 -3.540 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.671 6.020 -2.571 1.00 0.00 C ATOM 0 H VAL A 97 11.356 5.356 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 97 8.871 4.041 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 97 10.989 4.388 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.097 4.250 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.286 2.756 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.000 3.914 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.731 6.420 -3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.668 6.182 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.397 6.528 -1.937 1.00 0.00 H new ATOM 1602 N GLN A 98 11.575 2.184 -1.126 1.00 0.00 N ATOM 1603 CA GLN A 98 12.067 0.810 -1.089 1.00 0.00 C ATOM 1604 C GLN A 98 11.549 0.080 0.145 1.00 0.00 C ATOM 1605 O GLN A 98 11.204 -1.103 0.077 1.00 0.00 O ATOM 1606 CB GLN A 98 13.597 0.778 -1.119 1.00 0.00 C ATOM 1607 CG GLN A 98 14.187 0.988 -2.506 1.00 0.00 C ATOM 1608 CD GLN A 98 13.945 -0.194 -3.434 1.00 0.00 C ATOM 1609 OE1 GLN A 98 12.944 -0.901 -3.317 1.00 0.00 O ATOM 1610 NE2 GLN A 98 14.867 -0.430 -4.354 1.00 0.00 N ATOM 0 H GLN A 98 12.305 2.894 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 98 11.693 0.298 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.981 1.549 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.939 -0.181 -0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.755 1.886 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.260 1.161 -2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.685 0.176 -4.424 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.760 -1.218 -4.993 1.00 0.00 H new ATOM 1619 N GLN A 99 11.484 0.790 1.265 1.00 0.00 N ATOM 1620 CA GLN A 99 10.961 0.222 2.500 1.00 0.00 C ATOM 1621 C GLN A 99 9.488 -0.135 2.333 1.00 0.00 C ATOM 1622 O GLN A 99 9.040 -1.191 2.773 1.00 0.00 O ATOM 1623 CB GLN A 99 11.121 1.210 3.657 1.00 0.00 C ATOM 1624 CG GLN A 99 12.553 1.666 3.891 1.00 0.00 C ATOM 1625 CD GLN A 99 12.656 2.693 5.003 1.00 0.00 C ATOM 1626 OE1 GLN A 99 11.720 3.455 5.245 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.790 2.726 5.683 1.00 0.00 N ATOM 0 H GLN A 99 11.787 1.761 1.343 1.00 0.00 H new ATOM 0 HA GLN A 99 11.527 -0.681 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.500 2.084 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.744 0.748 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.171 0.803 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.952 2.090 2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 99 14.542 2.077 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.912 3.400 6.439 1.00 0.00 H new ATOM 1636 N HIS A 100 8.749 0.751 1.678 1.00 0.00 N ATOM 1637 CA HIS A 100 7.327 0.545 1.430 1.00 0.00 C ATOM 1638 C HIS A 100 7.129 -0.651 0.497 1.00 0.00 C ATOM 1639 O HIS A 100 6.254 -1.488 0.723 1.00 0.00 O ATOM 1640 CB HIS A 100 6.729 1.813 0.809 1.00 0.00 C ATOM 1641 CG HIS A 100 5.238 1.954 0.954 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.591 3.164 0.900 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.267 1.021 1.140 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.284 2.951 1.048 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.023 1.660 1.199 1.00 0.00 N ATOM 0 H HIS A 100 9.115 1.627 1.306 1.00 0.00 H new ATOM 0 HA HIS A 100 6.819 0.337 2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.206 2.681 1.264 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.978 1.831 -0.252 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.036 4.072 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.429 -0.043 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.535 3.729 1.045 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.110 1.225 1.330 1.00 0.00 H new ATOM 1653 N LEU A 101 7.963 -0.724 -0.539 1.00 0.00 N ATOM 1654 CA LEU A 101 7.919 -1.821 -1.504 1.00 0.00 C ATOM 1655 C LEU A 101 8.122 -3.155 -0.786 1.00 0.00 C ATOM 1656 O LEU A 101 7.387 -4.116 -1.013 1.00 0.00 O ATOM 1657 CB LEU A 101 9.015 -1.622 -2.562 1.00 0.00 C ATOM 1658 CG LEU A 101 8.662 -2.041 -4.000 1.00 0.00 C ATOM 1659 CD1 LEU A 101 8.278 -3.508 -4.083 1.00 0.00 C ATOM 1660 CD2 LEU A 101 7.547 -1.171 -4.549 1.00 0.00 C ATOM 0 H LEU A 101 8.684 -0.029 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 101 6.945 -1.829 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.293 -0.568 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.897 -2.181 -2.250 1.00 0.00 H new ATOM 0 HG LEU A 101 9.555 -1.900 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.036 -3.763 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.112 -4.122 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.410 -3.693 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.311 -1.482 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.661 -1.276 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.867 -0.129 -4.553 1.00 0.00 H new ATOM 1672 N GLN A 102 9.125 -3.195 0.081 1.00 0.00 N ATOM 1673 CA GLN A 102 9.451 -4.381 0.838 1.00 0.00 C ATOM 1674 C GLN A 102 8.352 -4.698 1.857 1.00 0.00 C ATOM 1675 O GLN A 102 8.047 -5.862 2.127 1.00 0.00 O ATOM 1676 CB GLN A 102 10.782 -4.142 1.544 1.00 0.00 C ATOM 1677 CG GLN A 102 11.219 -5.270 2.441 1.00 0.00 C ATOM 1678 CD GLN A 102 11.753 -6.470 1.682 1.00 0.00 C ATOM 1679 OE1 GLN A 102 11.370 -6.727 0.541 1.00 0.00 O ATOM 1680 NE2 GLN A 102 12.633 -7.224 2.320 1.00 0.00 N ATOM 0 H GLN A 102 9.733 -2.399 0.275 1.00 0.00 H new ATOM 0 HA GLN A 102 9.529 -5.237 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.553 -3.971 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.707 -3.230 2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.990 -4.906 3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.375 -5.584 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.925 -6.977 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.019 -8.052 1.866 1.00 0.00 H new ATOM 1689 N ASP A 103 7.764 -3.648 2.415 1.00 0.00 N ATOM 1690 CA ASP A 103 6.735 -3.785 3.443 1.00 0.00 C ATOM 1691 C ASP A 103 5.467 -4.436 2.899 1.00 0.00 C ATOM 1692 O ASP A 103 4.919 -5.347 3.518 1.00 0.00 O ATOM 1693 CB ASP A 103 6.398 -2.416 4.039 1.00 0.00 C ATOM 1694 CG ASP A 103 5.184 -2.450 4.942 1.00 0.00 C ATOM 1695 OD1 ASP A 103 4.052 -2.472 4.461 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.299 -2.418 6.168 1.00 0.00 O ATOM 0 H ASP A 103 7.983 -2.682 2.171 1.00 0.00 H new ATOM 0 HA ASP A 103 7.137 -4.435 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.255 -2.050 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.223 -1.706 3.230 1.00 0.00 H new ATOM 1701 N GLU A 104 4.994 -3.964 1.752 1.00 0.00 N ATOM 1702 CA GLU A 104 3.754 -4.480 1.175 1.00 0.00 C ATOM 1703 C GLU A 104 3.906 -5.947 0.789 1.00 0.00 C ATOM 1704 O GLU A 104 2.925 -6.682 0.728 1.00 0.00 O ATOM 1705 CB GLU A 104 3.323 -3.658 -0.041 1.00 0.00 C ATOM 1706 CG GLU A 104 3.105 -2.180 0.252 1.00 0.00 C ATOM 1707 CD GLU A 104 1.874 -1.871 1.094 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.184 -2.803 1.586 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.582 -0.671 1.283 1.00 0.00 O ATOM 0 H GLU A 104 5.444 -3.230 1.205 1.00 0.00 H new ATOM 0 HA GLU A 104 2.978 -4.396 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.081 -3.755 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.400 -4.078 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.985 -1.792 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.025 -1.644 -0.694 1.00 0.00 H new ATOM 1716 N GLN A 105 5.139 -6.375 0.542 1.00 0.00 N ATOM 1717 CA GLN A 105 5.414 -7.781 0.265 1.00 0.00 C ATOM 1718 C GLN A 105 5.083 -8.627 1.490 1.00 0.00 C ATOM 1719 O GLN A 105 4.558 -9.736 1.372 1.00 0.00 O ATOM 1720 CB GLN A 105 6.875 -7.974 -0.141 1.00 0.00 C ATOM 1721 CG GLN A 105 7.250 -7.211 -1.400 1.00 0.00 C ATOM 1722 CD GLN A 105 8.709 -7.375 -1.770 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.318 -8.411 -1.508 1.00 0.00 O ATOM 1724 NE2 GLN A 105 9.282 -6.348 -2.377 1.00 0.00 N ATOM 0 H GLN A 105 5.961 -5.772 0.528 1.00 0.00 H new ATOM 0 HA GLN A 105 4.786 -8.104 -0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.519 -7.651 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.065 -9.036 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.629 -7.555 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.032 -6.153 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.741 -5.507 -2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.265 -6.398 -2.646 1.00 0.00 H new ATOM 1733 N ARG A 106 5.369 -8.078 2.667 1.00 0.00 N ATOM 1734 CA ARG A 106 5.002 -8.715 3.926 1.00 0.00 C ATOM 1735 C ARG A 106 3.484 -8.732 4.061 1.00 0.00 C ATOM 1736 O ARG A 106 2.899 -9.710 4.530 1.00 0.00 O ATOM 1737 CB ARG A 106 5.632 -7.958 5.103 1.00 0.00 C ATOM 1738 CG ARG A 106 5.299 -8.530 6.475 1.00 0.00 C ATOM 1739 CD ARG A 106 5.934 -9.895 6.688 1.00 0.00 C ATOM 1740 NE ARG A 106 4.953 -10.978 6.645 1.00 0.00 N ATOM 1741 CZ ARG A 106 5.181 -12.168 6.097 1.00 0.00 C ATOM 1742 NH1 ARG A 106 6.353 -12.429 5.526 1.00 0.00 N ATOM 1743 NH2 ARG A 106 4.248 -13.111 6.148 1.00 0.00 N ATOM 0 H ARG A 106 5.857 -7.188 2.774 1.00 0.00 H new ATOM 0 HA ARG A 106 5.374 -9.739 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.715 -7.955 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.304 -6.919 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.645 -7.844 7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.217 -8.612 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.692 -10.064 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.445 -9.909 7.651 1.00 0.00 H new ATOM 0 HE ARG A 106 4.037 -10.811 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.081 -11.715 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.524 -13.343 5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.357 -12.923 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.422 -14.024 5.728 1.00 0.00 H new ATOM 1757 N HIS A 107 2.857 -7.641 3.627 1.00 0.00 N ATOM 1758 CA HIS A 107 1.402 -7.538 3.632 1.00 0.00 C ATOM 1759 C HIS A 107 0.795 -8.634 2.761 1.00 0.00 C ATOM 1760 O HIS A 107 -0.094 -9.363 3.190 1.00 0.00 O ATOM 1761 CB HIS A 107 0.940 -6.158 3.130 1.00 0.00 C ATOM 1762 CG HIS A 107 1.178 -5.038 4.102 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.436 -3.867 4.145 1.00 0.00 N ATOM 1764 CD2 HIS A 107 2.086 -4.946 5.104 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.914 -3.125 5.165 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.922 -3.730 5.769 1.00 0.00 N ATOM 0 H HIS A 107 3.336 -6.815 3.267 1.00 0.00 H new ATOM 0 HA HIS A 107 1.060 -7.661 4.660 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.457 -5.931 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.125 -6.205 2.901 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.330 -3.614 3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.822 -5.697 5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.523 -2.160 5.452 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.467 -3.381 6.557 1.00 0.00 H new ATOM 1773 N VAL A 108 1.309 -8.754 1.541 1.00 0.00 N ATOM 1774 CA VAL A 108 0.827 -9.746 0.583 1.00 0.00 C ATOM 1775 C VAL A 108 0.980 -11.168 1.122 1.00 0.00 C ATOM 1776 O VAL A 108 0.071 -11.988 0.981 1.00 0.00 O ATOM 1777 CB VAL A 108 1.570 -9.620 -0.770 1.00 0.00 C ATOM 1778 CG1 VAL A 108 1.202 -10.756 -1.714 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.271 -8.274 -1.415 1.00 0.00 C ATOM 0 H VAL A 108 2.068 -8.170 1.189 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.233 -9.548 0.426 1.00 0.00 H new ATOM 0 HB VAL A 108 2.640 -9.686 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.741 -10.637 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.472 -11.709 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.129 -10.737 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.800 -8.200 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.199 -8.184 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.600 -7.472 -0.753 1.00 0.00 H new ATOM 1789 N GLU A 109 2.123 -11.457 1.737 1.00 0.00 N ATOM 1790 CA GLU A 109 2.364 -12.777 2.317 1.00 0.00 C ATOM 1791 C GLU A 109 1.379 -13.075 3.445 1.00 0.00 C ATOM 1792 O GLU A 109 0.983 -14.225 3.650 1.00 0.00 O ATOM 1793 CB GLU A 109 3.803 -12.907 2.820 1.00 0.00 C ATOM 1794 CG GLU A 109 4.831 -12.993 1.704 1.00 0.00 C ATOM 1795 CD GLU A 109 6.216 -13.351 2.206 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.319 -14.012 3.262 1.00 0.00 O ATOM 1797 OE2 GLU A 109 7.205 -13.008 1.529 1.00 0.00 O ATOM 0 H GLU A 109 2.895 -10.799 1.847 1.00 0.00 H new ATOM 0 HA GLU A 109 2.210 -13.511 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.037 -12.051 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.882 -13.797 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.509 -13.739 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.875 -12.037 1.182 1.00 0.00 H new ATOM 1804 N GLU A 110 0.999 -12.041 4.182 1.00 0.00 N ATOM 1805 CA GLU A 110 0.022 -12.186 5.251 1.00 0.00 C ATOM 1806 C GLU A 110 -1.372 -12.468 4.682 1.00 0.00 C ATOM 1807 O GLU A 110 -2.159 -13.206 5.279 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.008 -10.923 6.116 1.00 0.00 C ATOM 1809 CG GLU A 110 0.345 -11.168 7.576 1.00 0.00 C ATOM 1810 CD GLU A 110 1.756 -11.686 7.757 1.00 0.00 C ATOM 1811 OE1 GLU A 110 1.969 -12.910 7.630 1.00 0.00 O ATOM 1812 OE2 GLU A 110 2.665 -10.873 8.034 1.00 0.00 O ATOM 0 H GLU A 110 1.353 -11.092 4.059 1.00 0.00 H new ATOM 0 HA GLU A 110 0.318 -13.033 5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.688 -10.194 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.003 -10.481 6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.229 -10.239 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.358 -11.885 8.000 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.666 -11.883 3.524 1.00 0.00 N ATOM 1820 CA ILE A 111 -2.978 -12.026 2.901 1.00 0.00 C ATOM 1821 C ILE A 111 -3.095 -13.346 2.136 1.00 0.00 C ATOM 1822 O ILE A 111 -3.942 -14.186 2.449 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.283 -10.871 1.925 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.053 -9.515 2.594 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.719 -10.977 1.433 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.266 -8.335 1.668 1.00 0.00 C ATOM 0 H ILE A 111 -1.012 -11.304 2.997 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.700 -12.008 3.717 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.605 -10.949 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.725 -9.422 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.036 -9.480 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.929 -10.159 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.858 -11.928 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.400 -10.920 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.085 -7.408 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.576 -8.403 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.291 -8.344 1.297 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.231 -13.530 1.139 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.290 -14.700 0.267 1.00 0.00 C ATOM 1840 C GLU A 112 -1.627 -15.904 0.932 1.00 0.00 C ATOM 1841 O GLU A 112 -0.781 -16.578 0.348 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.631 -14.391 -1.085 1.00 0.00 C ATOM 1843 CG GLU A 112 -2.353 -13.307 -1.878 1.00 0.00 C ATOM 1844 CD GLU A 112 -1.796 -13.121 -3.277 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -2.206 -13.872 -4.190 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -0.962 -12.216 -3.481 1.00 0.00 O ATOM 0 H GLU A 112 -1.478 -12.879 0.915 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.337 -14.948 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.600 -14.081 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.596 -15.303 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.411 -13.559 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.284 -12.363 -1.338 1.00 0.00 H new