USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 960 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 79 HIS : no HE2:sc= -4.32 K(o=-4.2,f=-9.6!) USER MOD Set 1.2: A 81 THR OG1 : rot -85:sc= 0.131 USER MOD Set 2.1: A 45 THR OG1 : rot -120:sc= 0.529 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.548 K(o=1.1,f=-0.95) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.17 (180deg=-0.76) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -3.47 K(o=-3.5,f=-16!) USER MOD Single : A 15 ASN : amide:sc= -0.639 X(o=-0.64,f=-0.38) USER MOD Single : A 16 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.8!) USER MOD Single : A 21 THR OG1 : rot -105:sc= 1.44 USER MOD Single : A 31 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.8) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00396) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00941 X(o=-0.0094,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.89) USER MOD Single : A 64 HIS : no HD1:sc= -18.7! C(o=-19!,f=-21!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0.671 (180deg=0.65) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= -0.0425 (180deg=-0.703) USER MOD Single : A 100 GLN : amide:sc= -1.31! C(o=-1.3!,f=-1.3!) USER MOD Single : A 105 MET CE :methyl 166:sc= -0.235 (180deg=-0.33) USER MOD Single : A 106 SER OG : rot 180:sc=-0.00358 USER MOD Single : A 111 ASN : amide:sc= -2.1 K(o=-2.1,f=-2.9!) USER MOD Single : A 119 ASN : amide:sc= -5.11 K(o=-5.1,f=-8.9!) USER MOD Single : A 125 LYS NZ :NH3+ 151:sc= -0.276 (180deg=-1.28!) USER MOD Single : A 127 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0238) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -5.672 -19.109 -0.804 1.00 0.00 N ATOM 43 CA LYS A 3 -4.977 -17.959 -0.240 1.00 0.00 C ATOM 44 C LYS A 3 -5.151 -16.736 -1.132 1.00 0.00 C ATOM 45 O LYS A 3 -5.438 -16.862 -2.322 1.00 0.00 O ATOM 46 CB LYS A 3 -3.489 -18.271 -0.067 1.00 0.00 C ATOM 47 CG LYS A 3 -2.811 -18.724 -1.351 1.00 0.00 C ATOM 48 CD LYS A 3 -1.297 -18.669 -1.230 1.00 0.00 C ATOM 49 CE LYS A 3 -0.780 -19.703 -0.243 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.380 -21.044 -0.480 1.00 0.00 N ATOM 0 HA LYS A 3 -5.410 -17.743 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.981 -17.383 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.374 -19.048 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.121 -19.742 -1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.134 -18.091 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.846 -18.840 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.992 -17.673 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.305 -19.771 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.005 -19.379 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.811 -21.769 0.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.350 -21.061 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.399 -21.240 -1.501 1.00 0.00 H new ATOM 64 N LEU A 4 -4.968 -15.552 -0.557 1.00 0.00 N ATOM 65 CA LEU A 4 -5.097 -14.310 -1.314 1.00 0.00 C ATOM 66 C LEU A 4 -4.112 -13.265 -0.791 1.00 0.00 C ATOM 67 O LEU A 4 -4.161 -12.887 0.378 1.00 0.00 O ATOM 68 CB LEU A 4 -6.533 -13.788 -1.234 1.00 0.00 C ATOM 69 CG LEU A 4 -6.970 -13.285 0.143 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.793 -11.778 0.240 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.416 -13.671 0.418 1.00 0.00 C ATOM 0 H LEU A 4 -4.731 -15.425 0.427 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.861 -14.510 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.648 -12.976 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.210 -14.585 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.339 -13.755 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.109 -11.437 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.744 -11.524 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.399 -11.291 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.709 -13.305 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.061 -13.229 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.514 -14.756 0.390 1.00 0.00 H new ATOM 83 N GLN A 5 -3.193 -12.827 -1.651 1.00 0.00 N ATOM 84 CA GLN A 5 -2.174 -11.859 -1.257 1.00 0.00 C ATOM 85 C GLN A 5 -2.478 -10.446 -1.739 1.00 0.00 C ATOM 86 O GLN A 5 -3.133 -10.239 -2.759 1.00 0.00 O ATOM 87 CB GLN A 5 -0.825 -12.285 -1.825 1.00 0.00 C ATOM 88 CG GLN A 5 -0.479 -13.730 -1.528 1.00 0.00 C ATOM 89 CD GLN A 5 0.970 -14.061 -1.828 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.818 -14.054 -0.936 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.260 -14.353 -3.090 1.00 0.00 N ATOM 0 H GLN A 5 -3.135 -13.128 -2.624 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.160 -11.842 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.829 -12.134 -2.905 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.047 -11.641 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.685 -13.940 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.125 -14.382 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.525 -14.347 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.218 -14.584 -3.353 1.00 0.00 H new ATOM 100 N ILE A 6 -1.957 -9.482 -0.994 1.00 0.00 N ATOM 101 CA ILE A 6 -2.098 -8.067 -1.298 1.00 0.00 C ATOM 102 C ILE A 6 -0.828 -7.357 -0.835 1.00 0.00 C ATOM 103 O ILE A 6 -0.322 -7.658 0.246 1.00 0.00 O ATOM 104 CB ILE A 6 -3.328 -7.453 -0.596 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.618 -8.055 -1.157 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.334 -5.939 -0.753 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.243 -9.092 -0.249 1.00 0.00 C ATOM 0 H ILE A 6 -1.416 -9.665 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.244 -7.945 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.270 -7.687 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.337 -7.255 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.407 -8.510 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.209 -5.525 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.430 -5.523 -0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.368 -5.683 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.153 -9.477 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.541 -9.911 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.486 -8.636 0.711 1.00 0.00 H new ATOM 119 N ALA A 7 -0.321 -6.399 -1.606 1.00 0.00 N ATOM 120 CA ALA A 7 0.867 -5.661 -1.194 1.00 0.00 C ATOM 121 C ALA A 7 0.556 -4.180 -1.252 1.00 0.00 C ATOM 122 O ALA A 7 -0.096 -3.752 -2.182 1.00 0.00 O ATOM 123 CB ALA A 7 2.051 -6.003 -2.091 1.00 0.00 C ATOM 0 H ALA A 7 -0.708 -6.119 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 7 1.140 -5.938 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.927 -5.442 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.260 -7.071 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.814 -5.741 -3.122 1.00 0.00 H new ATOM 129 N VAL A 8 0.997 -3.392 -0.284 1.00 0.00 N ATOM 130 CA VAL A 8 0.710 -1.961 -0.315 1.00 0.00 C ATOM 131 C VAL A 8 1.873 -1.152 0.237 1.00 0.00 C ATOM 132 O VAL A 8 2.718 -1.672 0.961 1.00 0.00 O ATOM 133 CB VAL A 8 -0.591 -1.604 0.453 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.369 -2.857 0.827 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.293 -0.769 1.694 1.00 0.00 C ATOM 0 H VAL A 8 1.543 -3.707 0.518 1.00 0.00 H new ATOM 0 HA VAL A 8 0.563 -1.701 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.209 -1.005 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.275 -2.576 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.638 -3.402 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.752 -3.492 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.225 -0.536 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.360 -1.331 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.200 0.158 1.399 1.00 0.00 H new ATOM 145 N GLY A 9 1.917 0.123 -0.121 1.00 0.00 N ATOM 146 CA GLY A 9 2.988 0.969 0.350 1.00 0.00 C ATOM 147 C GLY A 9 2.603 2.428 0.473 1.00 0.00 C ATOM 148 O GLY A 9 1.786 2.937 -0.291 1.00 0.00 O ATOM 0 H GLY A 9 1.235 0.582 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.323 0.608 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.834 0.882 -0.332 1.00 0.00 H new ATOM 152 N ILE A 10 3.243 3.105 1.414 1.00 0.00 N ATOM 153 CA ILE A 10 3.028 4.521 1.629 1.00 0.00 C ATOM 154 C ILE A 10 4.095 5.274 0.850 1.00 0.00 C ATOM 155 O ILE A 10 5.280 5.035 1.055 1.00 0.00 O ATOM 156 CB ILE A 10 3.113 4.891 3.125 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.919 3.853 3.913 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.720 5.036 3.715 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.210 4.272 5.338 1.00 0.00 C ATOM 0 H ILE A 10 3.924 2.686 2.047 1.00 0.00 H new ATOM 0 HA ILE A 10 2.028 4.789 1.288 1.00 0.00 H new ATOM 0 HB ILE A 10 3.631 5.847 3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.371 2.911 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.861 3.668 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.797 5.297 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.181 5.821 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.182 4.094 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.783 3.491 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.785 5.198 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.272 4.429 5.870 1.00 0.00 H new ATOM 171 N ILE A 11 3.688 6.156 -0.055 1.00 0.00 N ATOM 172 CA ILE A 11 4.654 6.890 -0.869 1.00 0.00 C ATOM 173 C ILE A 11 5.273 8.068 -0.130 1.00 0.00 C ATOM 174 O ILE A 11 4.608 9.053 0.166 1.00 0.00 O ATOM 175 CB ILE A 11 4.043 7.402 -2.187 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.913 6.479 -2.661 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.134 7.510 -3.246 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.706 6.500 -4.160 1.00 0.00 C ATOM 0 H ILE A 11 2.711 6.380 -0.244 1.00 0.00 H new ATOM 0 HA ILE A 11 5.436 6.165 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 11 3.613 8.389 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.132 5.459 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.985 6.772 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.701 7.872 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.902 8.206 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.580 6.529 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.892 5.825 -4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.456 7.512 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.621 6.178 -4.658 1.00 0.00 H new ATOM 190 N ARG A 12 6.563 7.940 0.152 1.00 0.00 N ATOM 191 CA ARG A 12 7.305 8.984 0.861 1.00 0.00 C ATOM 192 C ARG A 12 7.717 10.085 -0.103 1.00 0.00 C ATOM 193 O ARG A 12 7.904 9.836 -1.297 1.00 0.00 O ATOM 194 CB ARG A 12 8.538 8.412 1.553 1.00 0.00 C ATOM 195 CG ARG A 12 8.345 8.197 3.045 1.00 0.00 C ATOM 196 CD ARG A 12 9.106 9.230 3.861 1.00 0.00 C ATOM 197 NE ARG A 12 9.174 8.868 5.275 1.00 0.00 N ATOM 198 CZ ARG A 12 8.184 9.074 6.141 1.00 0.00 C ATOM 199 NH1 ARG A 12 7.049 9.635 5.742 1.00 0.00 N ATOM 200 NH2 ARG A 12 8.328 8.716 7.410 1.00 0.00 N ATOM 0 H ARG A 12 7.121 7.124 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 12 6.648 9.402 1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.800 7.462 1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.380 9.086 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.284 8.251 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.683 7.197 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.116 9.333 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.622 10.201 3.758 1.00 0.00 H new ATOM 0 HE ARG A 12 10.030 8.432 5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.932 9.911 4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.294 9.790 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.197 8.283 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.570 8.874 8.074 1.00 0.00 H new ATOM 214 N ASN A 13 7.851 11.306 0.418 1.00 0.00 N ATOM 215 CA ASN A 13 8.223 12.446 -0.410 1.00 0.00 C ATOM 216 C ASN A 13 9.363 13.268 0.176 1.00 0.00 C ATOM 217 O ASN A 13 9.991 12.910 1.173 1.00 0.00 O ATOM 218 CB ASN A 13 7.015 13.359 -0.648 1.00 0.00 C ATOM 219 CG ASN A 13 6.829 14.409 0.434 1.00 0.00 C ATOM 220 OD1 ASN A 13 7.259 14.229 1.572 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.183 15.514 0.080 1.00 0.00 N ATOM 0 H ASN A 13 7.708 11.526 1.404 1.00 0.00 H new ATOM 0 HA ASN A 13 8.572 12.028 -1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.129 13.857 -1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.114 12.748 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.027 16.255 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.843 15.622 -0.876 1.00 0.00 H new ATOM 228 N GLU A 14 9.596 14.381 -0.498 1.00 0.00 N ATOM 229 CA GLU A 14 10.635 15.334 -0.141 1.00 0.00 C ATOM 230 C GLU A 14 10.503 15.799 1.301 1.00 0.00 C ATOM 231 O GLU A 14 11.445 15.722 2.090 1.00 0.00 O ATOM 232 CB GLU A 14 10.559 16.538 -1.083 1.00 0.00 C ATOM 233 CG GLU A 14 11.494 17.679 -0.708 1.00 0.00 C ATOM 234 CD GLU A 14 11.283 18.912 -1.565 1.00 0.00 C ATOM 235 OE1 GLU A 14 11.296 18.781 -2.806 1.00 0.00 O ATOM 236 OE2 GLU A 14 11.103 20.008 -0.993 1.00 0.00 O ATOM 0 H GLU A 14 9.060 14.653 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 14 11.601 14.838 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.792 16.209 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.535 16.911 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.342 17.939 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.527 17.345 -0.807 1.00 0.00 H new ATOM 243 N ASN A 15 9.334 16.310 1.611 1.00 0.00 N ATOM 244 CA ASN A 15 9.043 16.840 2.944 1.00 0.00 C ATOM 245 C ASN A 15 8.885 15.741 3.998 1.00 0.00 C ATOM 246 O ASN A 15 8.749 16.040 5.185 1.00 0.00 O ATOM 247 CB ASN A 15 7.780 17.702 2.899 1.00 0.00 C ATOM 248 CG ASN A 15 7.461 18.338 4.239 1.00 0.00 C ATOM 249 OD1 ASN A 15 8.008 19.383 4.587 1.00 0.00 O ATOM 250 ND2 ASN A 15 6.572 17.707 4.997 1.00 0.00 N ATOM 0 H ASN A 15 8.554 16.375 0.957 1.00 0.00 H new ATOM 0 HA ASN A 15 9.900 17.446 3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.905 18.484 2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.937 17.088 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.318 18.087 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.143 16.842 4.668 1.00 0.00 H new ATOM 257 N ASN A 16 8.882 14.477 3.566 1.00 0.00 N ATOM 258 CA ASN A 16 8.721 13.337 4.480 1.00 0.00 C ATOM 259 C ASN A 16 7.242 13.036 4.723 1.00 0.00 C ATOM 260 O ASN A 16 6.886 12.287 5.637 1.00 0.00 O ATOM 261 CB ASN A 16 9.439 13.575 5.810 1.00 0.00 C ATOM 262 CG ASN A 16 10.291 12.392 6.228 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.639 11.543 5.407 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.629 12.331 7.510 1.00 0.00 N ATOM 0 H ASN A 16 8.989 14.214 2.586 1.00 0.00 H new ATOM 0 HA ASN A 16 9.179 12.472 4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.069 14.461 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.702 13.780 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.200 11.558 7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.318 13.058 8.155 1.00 0.00 H new ATOM 271 N GLU A 17 6.388 13.598 3.876 1.00 0.00 N ATOM 272 CA GLU A 17 4.954 13.372 3.961 1.00 0.00 C ATOM 273 C GLU A 17 4.542 12.437 2.834 1.00 0.00 C ATOM 274 O GLU A 17 4.999 12.592 1.702 1.00 0.00 O ATOM 275 CB GLU A 17 4.192 14.695 3.861 1.00 0.00 C ATOM 276 CG GLU A 17 4.591 15.540 2.664 1.00 0.00 C ATOM 277 CD GLU A 17 3.908 16.893 2.652 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.875 17.042 3.340 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.404 17.803 1.956 1.00 0.00 O ATOM 0 H GLU A 17 6.669 14.219 3.117 1.00 0.00 H new ATOM 0 HA GLU A 17 4.712 12.921 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.124 14.486 3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.358 15.270 4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.672 15.683 2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.344 15.004 1.747 1.00 0.00 H new ATOM 286 N ILE A 18 3.754 11.418 3.150 1.00 0.00 N ATOM 287 CA ILE A 18 3.394 10.429 2.158 1.00 0.00 C ATOM 288 C ILE A 18 1.982 10.618 1.608 1.00 0.00 C ATOM 289 O ILE A 18 0.985 10.560 2.329 1.00 0.00 O ATOM 290 CB ILE A 18 3.568 8.997 2.748 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.245 8.219 2.814 1.00 0.00 C ATOM 292 CG2 ILE A 18 4.201 9.049 4.133 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.734 7.765 1.463 1.00 0.00 C ATOM 0 H ILE A 18 3.358 11.260 4.077 1.00 0.00 H new ATOM 0 HA ILE A 18 4.070 10.562 1.314 1.00 0.00 H new ATOM 0 HB ILE A 18 4.231 8.466 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.379 7.346 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.489 8.846 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.311 8.036 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.181 9.521 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.564 9.627 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.797 7.223 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.566 8.634 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.470 7.111 0.997 1.00 0.00 H new ATOM 305 N PHE A 19 1.935 10.874 0.302 1.00 0.00 N ATOM 306 CA PHE A 19 0.690 11.105 -0.413 1.00 0.00 C ATOM 307 C PHE A 19 -0.209 9.864 -0.419 1.00 0.00 C ATOM 308 O PHE A 19 -0.059 8.968 -1.250 1.00 0.00 O ATOM 309 CB PHE A 19 0.998 11.564 -1.854 1.00 0.00 C ATOM 310 CG PHE A 19 0.280 10.786 -2.924 1.00 0.00 C ATOM 311 CD1 PHE A 19 -1.087 10.923 -3.098 1.00 0.00 C ATOM 312 CD2 PHE A 19 0.970 9.906 -3.743 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.752 10.203 -4.071 1.00 0.00 C ATOM 314 CE2 PHE A 19 0.310 9.181 -4.716 1.00 0.00 C ATOM 315 CZ PHE A 19 -1.054 9.331 -4.881 1.00 0.00 C ATOM 0 H PHE A 19 2.765 10.926 -0.289 1.00 0.00 H new ATOM 0 HA PHE A 19 0.142 11.890 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.735 12.617 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.072 11.487 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.640 11.601 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.036 9.786 -3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.818 10.322 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.859 8.498 -5.347 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.572 8.767 -5.642 1.00 0.00 H new ATOM 325 N ILE A 20 -1.158 9.835 0.502 1.00 0.00 N ATOM 326 CA ILE A 20 -2.097 8.746 0.592 1.00 0.00 C ATOM 327 C ILE A 20 -3.438 9.198 0.030 1.00 0.00 C ATOM 328 O ILE A 20 -3.831 10.350 0.215 1.00 0.00 O ATOM 329 CB ILE A 20 -2.290 8.287 2.042 1.00 0.00 C ATOM 330 CG1 ILE A 20 -2.280 9.478 3.004 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.222 7.281 2.432 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.597 9.099 4.433 1.00 0.00 C ATOM 0 H ILE A 20 -1.293 10.565 1.202 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.702 7.907 0.019 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.264 7.804 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.300 9.954 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.005 10.217 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.377 6.968 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.283 6.412 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.238 7.739 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.573 9.990 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.589 8.650 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.858 8.383 4.792 1.00 0.00 H new ATOM 344 N THR A 21 -4.145 8.308 -0.652 1.00 0.00 N ATOM 345 CA THR A 21 -5.439 8.669 -1.219 1.00 0.00 C ATOM 346 C THR A 21 -6.452 8.857 -0.100 1.00 0.00 C ATOM 347 O THR A 21 -6.817 7.905 0.577 1.00 0.00 O ATOM 348 CB THR A 21 -5.921 7.590 -2.190 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.396 6.457 -1.486 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.846 7.121 -3.146 1.00 0.00 C ATOM 0 H THR A 21 -3.852 7.346 -0.825 1.00 0.00 H new ATOM 0 HA THR A 21 -5.333 9.603 -1.771 1.00 0.00 H new ATOM 0 HB THR A 21 -6.718 8.057 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.734 5.736 -1.541 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.255 6.356 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.495 7.964 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.013 6.704 -2.580 1.00 0.00 H new ATOM 358 N ARG A 22 -6.885 10.098 0.104 1.00 0.00 N ATOM 359 CA ARG A 22 -7.840 10.402 1.163 1.00 0.00 C ATOM 360 C ARG A 22 -8.969 11.293 0.660 1.00 0.00 C ATOM 361 O ARG A 22 -8.730 12.373 0.117 1.00 0.00 O ATOM 362 CB ARG A 22 -7.124 11.082 2.332 1.00 0.00 C ATOM 363 CG ARG A 22 -7.982 11.216 3.579 1.00 0.00 C ATOM 364 CD ARG A 22 -7.271 12.017 4.658 1.00 0.00 C ATOM 365 NE ARG A 22 -7.597 11.542 6.000 1.00 0.00 N ATOM 366 CZ ARG A 22 -7.140 12.102 7.117 1.00 0.00 C ATOM 367 NH1 ARG A 22 -6.336 13.158 7.057 1.00 0.00 N ATOM 368 NH2 ARG A 22 -7.486 11.607 8.297 1.00 0.00 N ATOM 0 H ARG A 22 -6.591 10.905 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.278 9.462 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.227 10.513 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.796 12.073 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.924 11.702 3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.228 10.225 3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.194 11.955 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.546 13.068 4.569 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.212 10.733 6.086 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.066 13.543 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.988 13.584 7.916 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.103 10.796 8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.135 12.037 9.153 1.00 0.00 H new ATOM 493 N ASN A 31 -13.921 6.754 3.057 1.00 0.00 N ATOM 494 CA ASN A 31 -13.465 5.729 3.988 1.00 0.00 C ATOM 495 C ASN A 31 -12.604 4.683 3.283 1.00 0.00 C ATOM 496 O ASN A 31 -12.389 3.591 3.809 1.00 0.00 O ATOM 497 CB ASN A 31 -14.662 5.053 4.661 1.00 0.00 C ATOM 498 CG ASN A 31 -14.729 5.342 6.148 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.797 6.498 6.565 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.710 4.289 6.956 1.00 0.00 N ATOM 0 HA ASN A 31 -12.854 6.216 4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.582 5.393 4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.602 3.976 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.753 4.421 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.653 3.348 6.566 1.00 0.00 H new ATOM 507 N LYS A 32 -12.111 5.019 2.093 1.00 0.00 N ATOM 508 CA LYS A 32 -11.275 4.098 1.330 1.00 0.00 C ATOM 509 C LYS A 32 -9.856 4.623 1.188 1.00 0.00 C ATOM 510 O LYS A 32 -9.142 4.275 0.247 1.00 0.00 O ATOM 511 CB LYS A 32 -11.877 3.832 -0.045 1.00 0.00 C ATOM 512 CG LYS A 32 -11.981 2.355 -0.387 1.00 0.00 C ATOM 513 CD LYS A 32 -11.546 2.081 -1.818 1.00 0.00 C ATOM 514 CE LYS A 32 -12.111 0.766 -2.329 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.134 -0.349 -2.193 1.00 0.00 N ATOM 0 H LYS A 32 -12.275 5.917 1.639 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.235 3.159 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.871 4.278 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.270 4.330 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.362 1.777 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.009 2.020 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.877 2.895 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.458 2.055 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.019 0.522 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.394 0.875 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.558 -1.228 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.277 -0.129 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.883 -0.470 -1.191 1.00 0.00 H new ATOM 529 N LEU A 33 -9.453 5.452 2.134 1.00 0.00 N ATOM 530 CA LEU A 33 -8.110 6.023 2.136 1.00 0.00 C ATOM 531 C LEU A 33 -7.075 4.909 1.981 1.00 0.00 C ATOM 532 O LEU A 33 -6.697 4.271 2.956 1.00 0.00 O ATOM 533 CB LEU A 33 -7.878 6.794 3.442 1.00 0.00 C ATOM 534 CG LEU A 33 -6.734 7.809 3.426 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.608 8.488 4.781 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.424 7.137 3.047 1.00 0.00 C ATOM 0 H LEU A 33 -10.037 5.749 2.916 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.007 6.714 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.798 7.318 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.687 6.073 4.237 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.960 8.567 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.789 9.207 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.538 9.006 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.406 7.738 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.624 7.877 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.192 6.357 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.516 6.695 2.055 1.00 0.00 H new ATOM 548 N GLU A 34 -6.634 4.651 0.752 1.00 0.00 N ATOM 549 CA GLU A 34 -5.673 3.576 0.522 1.00 0.00 C ATOM 550 C GLU A 34 -4.455 4.023 -0.276 1.00 0.00 C ATOM 551 O GLU A 34 -4.413 5.123 -0.828 1.00 0.00 O ATOM 552 CB GLU A 34 -6.353 2.405 -0.187 1.00 0.00 C ATOM 553 CG GLU A 34 -5.749 1.053 0.156 1.00 0.00 C ATOM 554 CD GLU A 34 -6.742 -0.085 0.009 1.00 0.00 C ATOM 555 OE1 GLU A 34 -7.369 -0.190 -1.065 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.890 -0.871 0.969 1.00 0.00 O ATOM 0 H GLU A 34 -6.920 5.160 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.314 3.265 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.411 2.398 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.292 2.558 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.892 0.868 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.377 1.075 1.180 1.00 0.00 H new ATOM 563 N PHE A 35 -3.462 3.140 -0.312 1.00 0.00 N ATOM 564 CA PHE A 35 -2.209 3.387 -1.016 1.00 0.00 C ATOM 565 C PHE A 35 -1.972 2.343 -2.112 1.00 0.00 C ATOM 566 O PHE A 35 -2.650 1.316 -2.162 1.00 0.00 O ATOM 567 CB PHE A 35 -1.025 3.371 -0.035 1.00 0.00 C ATOM 568 CG PHE A 35 -1.390 3.046 1.391 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.903 1.803 1.729 1.00 0.00 C ATOM 570 CD2 PHE A 35 -1.211 3.985 2.391 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.232 1.507 3.038 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.538 3.695 3.702 1.00 0.00 C ATOM 573 CZ PHE A 35 -2.050 2.455 4.026 1.00 0.00 C ATOM 0 H PHE A 35 -3.504 2.230 0.148 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.284 4.371 -1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.293 2.642 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.539 4.347 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.047 1.058 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.811 4.957 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.631 0.535 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.393 4.438 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.308 2.226 5.050 1.00 0.00 H new ATOM 583 N PRO A 36 -0.974 2.583 -2.987 1.00 0.00 N ATOM 584 CA PRO A 36 -0.606 1.660 -4.069 1.00 0.00 C ATOM 585 C PRO A 36 -0.490 0.224 -3.566 1.00 0.00 C ATOM 586 O PRO A 36 -0.478 -0.012 -2.358 1.00 0.00 O ATOM 587 CB PRO A 36 0.773 2.166 -4.536 1.00 0.00 C ATOM 588 CG PRO A 36 1.174 3.220 -3.557 1.00 0.00 C ATOM 589 CD PRO A 36 -0.099 3.762 -2.981 1.00 0.00 C ATOM 0 HA PRO A 36 -1.354 1.644 -4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.501 1.355 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.719 2.571 -5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.809 2.804 -2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.746 4.008 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.045 4.156 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.506 4.573 -3.585 1.00 0.00 H new ATOM 597 N GLY A 37 -0.406 -0.739 -4.486 1.00 0.00 N ATOM 598 CA GLY A 37 -0.294 -2.124 -4.069 1.00 0.00 C ATOM 599 C GLY A 37 -1.582 -2.917 -4.175 1.00 0.00 C ATOM 600 O GLY A 37 -2.098 -3.449 -3.191 1.00 0.00 O ATOM 0 H GLY A 37 -0.413 -0.586 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.470 -2.612 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.052 -2.153 -3.036 1.00 0.00 H new ATOM 604 N GLY A 38 -2.082 -2.996 -5.382 1.00 0.00 N ATOM 605 CA GLY A 38 -3.301 -3.734 -5.662 1.00 0.00 C ATOM 606 C GLY A 38 -3.152 -4.629 -6.882 1.00 0.00 C ATOM 607 O GLY A 38 -2.942 -4.129 -7.988 1.00 0.00 O ATOM 0 H GLY A 38 -1.662 -2.554 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.565 -4.341 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.121 -3.034 -5.823 1.00 0.00 H new ATOM 611 N LYS A 39 -3.255 -5.955 -6.675 1.00 0.00 N ATOM 612 CA LYS A 39 -3.128 -6.948 -7.751 1.00 0.00 C ATOM 613 C LYS A 39 -1.730 -7.557 -7.781 1.00 0.00 C ATOM 614 O LYS A 39 -1.312 -8.124 -8.791 1.00 0.00 O ATOM 615 CB LYS A 39 -3.458 -6.358 -9.127 1.00 0.00 C ATOM 616 CG LYS A 39 -3.459 -7.396 -10.235 1.00 0.00 C ATOM 617 CD LYS A 39 -4.624 -7.197 -11.192 1.00 0.00 C ATOM 618 CE LYS A 39 -5.952 -7.524 -10.529 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.172 -8.992 -10.420 1.00 0.00 N ATOM 0 H LYS A 39 -3.428 -6.365 -5.757 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.855 -7.730 -7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.436 -5.879 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.732 -5.581 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.521 -7.340 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.513 -8.394 -9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.636 -6.165 -11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.488 -7.830 -12.069 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.981 -7.078 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.764 -7.077 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.103 -9.173 -9.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.136 -9.420 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.431 -9.411 -9.823 1.00 0.00 H new ATOM 633 N ILE A 40 -1.014 -7.458 -6.668 1.00 0.00 N ATOM 634 CA ILE A 40 0.330 -8.024 -6.584 1.00 0.00 C ATOM 635 C ILE A 40 0.247 -9.540 -6.585 1.00 0.00 C ATOM 636 O ILE A 40 1.104 -10.236 -7.128 1.00 0.00 O ATOM 637 CB ILE A 40 1.104 -7.526 -5.333 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.011 -8.516 -4.154 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.598 -6.154 -4.918 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.348 -8.800 -3.501 1.00 0.00 C ATOM 0 H ILE A 40 -1.336 -6.996 -5.817 1.00 0.00 H new ATOM 0 HA ILE A 40 0.887 -7.685 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 40 2.157 -7.455 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.327 -8.115 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.582 -9.453 -4.509 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.147 -5.814 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.748 -5.449 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.464 -6.214 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.210 -9.503 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.028 -9.230 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.770 -7.871 -3.116 1.00 0.00 H new ATOM 652 N GLU A 41 -0.812 -10.026 -5.964 1.00 0.00 N ATOM 653 CA GLU A 41 -1.071 -11.452 -5.851 1.00 0.00 C ATOM 654 C GLU A 41 -0.944 -12.142 -7.208 1.00 0.00 C ATOM 655 O GLU A 41 0.131 -12.624 -7.561 1.00 0.00 O ATOM 656 CB GLU A 41 -2.462 -11.680 -5.251 1.00 0.00 C ATOM 657 CG GLU A 41 -3.503 -10.655 -5.700 1.00 0.00 C ATOM 658 CD GLU A 41 -4.792 -11.298 -6.174 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.099 -12.420 -5.720 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.495 -10.679 -7.001 1.00 0.00 O ATOM 0 H GLU A 41 -1.521 -9.441 -5.521 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.325 -11.891 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.806 -12.677 -5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.387 -11.656 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.722 -9.979 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.087 -10.049 -6.505 1.00 0.00 H new ATOM 667 N MET A 42 -2.043 -12.181 -7.964 1.00 0.00 N ATOM 668 CA MET A 42 -2.057 -12.807 -9.288 1.00 0.00 C ATOM 669 C MET A 42 -1.270 -14.122 -9.300 1.00 0.00 C ATOM 670 O MET A 42 -1.834 -15.191 -9.066 1.00 0.00 O ATOM 671 CB MET A 42 -1.494 -11.842 -10.335 1.00 0.00 C ATOM 672 CG MET A 42 -2.404 -10.660 -10.625 1.00 0.00 C ATOM 673 SD MET A 42 -3.059 -10.678 -12.307 1.00 0.00 S ATOM 674 CE MET A 42 -4.268 -11.994 -12.185 1.00 0.00 C ATOM 0 H MET A 42 -2.939 -11.784 -7.680 1.00 0.00 H new ATOM 0 HA MET A 42 -3.093 -13.039 -9.535 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.528 -11.471 -9.992 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.315 -12.388 -11.261 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.233 -10.663 -9.917 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.852 -9.734 -10.465 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.760 -12.127 -13.149 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.769 -12.921 -11.901 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.011 -11.736 -11.431 1.00 0.00 H new ATOM 684 N GLY A 43 0.031 -14.035 -9.569 1.00 0.00 N ATOM 685 CA GLY A 43 0.864 -15.223 -9.604 1.00 0.00 C ATOM 686 C GLY A 43 2.342 -14.902 -9.581 1.00 0.00 C ATOM 687 O GLY A 43 3.162 -15.665 -10.090 1.00 0.00 O ATOM 0 H GLY A 43 0.522 -13.162 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.621 -15.857 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.635 -15.796 -10.503 1.00 0.00 H new ATOM 691 N GLU A 44 2.677 -13.767 -8.992 1.00 0.00 N ATOM 692 CA GLU A 44 4.066 -13.329 -8.901 1.00 0.00 C ATOM 693 C GLU A 44 4.695 -13.776 -7.585 1.00 0.00 C ATOM 694 O GLU A 44 4.094 -14.542 -6.831 1.00 0.00 O ATOM 695 CB GLU A 44 4.144 -11.807 -9.033 1.00 0.00 C ATOM 696 CG GLU A 44 4.392 -11.331 -10.455 1.00 0.00 C ATOM 697 CD GLU A 44 3.119 -10.902 -11.156 1.00 0.00 C ATOM 698 OE1 GLU A 44 2.190 -10.433 -10.466 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.049 -11.036 -12.396 1.00 0.00 O ATOM 0 H GLU A 44 2.006 -13.127 -8.567 1.00 0.00 H new ATOM 0 HA GLU A 44 4.624 -13.788 -9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.213 -11.371 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.942 -11.435 -8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.092 -10.496 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.864 -12.131 -11.025 1.00 0.00 H new ATOM 706 N THR A 45 5.901 -13.286 -7.306 1.00 0.00 N ATOM 707 CA THR A 45 6.595 -13.630 -6.077 1.00 0.00 C ATOM 708 C THR A 45 6.408 -12.518 -5.054 1.00 0.00 C ATOM 709 O THR A 45 6.068 -11.393 -5.415 1.00 0.00 O ATOM 710 CB THR A 45 8.087 -13.853 -6.351 1.00 0.00 C ATOM 711 OG1 THR A 45 8.369 -13.714 -7.732 1.00 0.00 O ATOM 712 CG2 THR A 45 8.580 -15.216 -5.919 1.00 0.00 C ATOM 0 H THR A 45 6.414 -12.650 -7.917 1.00 0.00 H new ATOM 0 HA THR A 45 6.176 -14.555 -5.680 1.00 0.00 H new ATOM 0 HB THR A 45 8.603 -13.095 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.745 -14.551 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.643 -15.306 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.423 -15.337 -4.847 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.030 -15.989 -6.456 1.00 0.00 H new ATOM 720 N PRO A 46 6.631 -12.807 -3.763 1.00 0.00 N ATOM 721 CA PRO A 46 6.486 -11.818 -2.699 1.00 0.00 C ATOM 722 C PRO A 46 7.104 -10.472 -3.070 1.00 0.00 C ATOM 723 O PRO A 46 6.687 -9.430 -2.566 1.00 0.00 O ATOM 724 CB PRO A 46 7.231 -12.451 -1.510 1.00 0.00 C ATOM 725 CG PRO A 46 7.861 -13.702 -2.037 1.00 0.00 C ATOM 726 CD PRO A 46 7.044 -14.104 -3.227 1.00 0.00 C ATOM 0 HA PRO A 46 5.439 -11.599 -2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.986 -11.771 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.544 -12.674 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.900 -13.528 -2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.862 -14.487 -1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.627 -14.677 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.190 -14.720 -2.946 1.00 0.00 H new ATOM 734 N GLU A 47 8.107 -10.500 -3.945 1.00 0.00 N ATOM 735 CA GLU A 47 8.783 -9.278 -4.367 1.00 0.00 C ATOM 736 C GLU A 47 8.365 -8.836 -5.772 1.00 0.00 C ATOM 737 O GLU A 47 8.034 -7.671 -5.983 1.00 0.00 O ATOM 738 CB GLU A 47 10.299 -9.474 -4.317 1.00 0.00 C ATOM 739 CG GLU A 47 10.923 -9.067 -2.991 1.00 0.00 C ATOM 740 CD GLU A 47 11.920 -10.088 -2.478 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.491 -11.058 -1.819 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.130 -9.916 -2.734 1.00 0.00 O ATOM 0 H GLU A 47 8.468 -11.353 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 47 8.487 -8.490 -3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.528 -10.522 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.758 -8.895 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.422 -8.105 -3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.135 -8.930 -2.250 1.00 0.00 H new ATOM 749 N GLN A 48 8.402 -9.758 -6.737 1.00 0.00 N ATOM 750 CA GLN A 48 8.052 -9.433 -8.116 1.00 0.00 C ATOM 751 C GLN A 48 6.550 -9.187 -8.288 1.00 0.00 C ATOM 752 O GLN A 48 6.099 -8.814 -9.371 1.00 0.00 O ATOM 753 CB GLN A 48 8.552 -10.542 -9.056 1.00 0.00 C ATOM 754 CG GLN A 48 7.475 -11.170 -9.925 1.00 0.00 C ATOM 755 CD GLN A 48 8.010 -12.279 -10.812 1.00 0.00 C ATOM 756 OE1 GLN A 48 7.735 -12.316 -12.011 1.00 0.00 O ATOM 757 NE2 GLN A 48 8.778 -13.191 -10.227 1.00 0.00 N ATOM 0 H GLN A 48 8.670 -10.731 -6.587 1.00 0.00 H new ATOM 0 HA GLN A 48 8.548 -8.499 -8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 48 9.327 -10.130 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.019 -11.324 -8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.686 -11.569 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.021 -10.399 -10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.981 -13.123 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.165 -13.960 -10.775 1.00 0.00 H new ATOM 766 N ALA A 49 5.783 -9.378 -7.221 1.00 0.00 N ATOM 767 CA ALA A 49 4.346 -9.153 -7.277 1.00 0.00 C ATOM 768 C ALA A 49 4.029 -7.672 -7.118 1.00 0.00 C ATOM 769 O ALA A 49 3.252 -7.104 -7.886 1.00 0.00 O ATOM 770 CB ALA A 49 3.641 -9.965 -6.201 1.00 0.00 C ATOM 0 H ALA A 49 6.130 -9.686 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 49 3.984 -9.479 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.567 -9.786 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.841 -11.025 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.009 -9.666 -5.220 1.00 0.00 H new ATOM 776 N VAL A 50 4.649 -7.050 -6.122 1.00 0.00 N ATOM 777 CA VAL A 50 4.447 -5.629 -5.869 1.00 0.00 C ATOM 778 C VAL A 50 5.261 -4.775 -6.836 1.00 0.00 C ATOM 779 O VAL A 50 4.831 -3.693 -7.228 1.00 0.00 O ATOM 780 CB VAL A 50 4.804 -5.231 -4.422 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.084 -5.916 -3.968 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.931 -3.717 -4.310 1.00 0.00 C ATOM 0 H VAL A 50 5.295 -7.507 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 50 3.384 -5.444 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 50 4.000 -5.562 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.313 -5.618 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.953 -6.997 -4.010 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.905 -5.624 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.183 -3.448 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.716 -3.367 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.985 -3.251 -4.585 1.00 0.00 H new ATOM 792 N VAL A 51 6.441 -5.260 -7.209 1.00 0.00 N ATOM 793 CA VAL A 51 7.307 -4.522 -8.121 1.00 0.00 C ATOM 794 C VAL A 51 6.536 -4.085 -9.362 1.00 0.00 C ATOM 795 O VAL A 51 6.774 -3.006 -9.905 1.00 0.00 O ATOM 796 CB VAL A 51 8.538 -5.354 -8.545 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.424 -4.564 -9.500 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.330 -5.794 -7.323 1.00 0.00 C ATOM 0 H VAL A 51 6.817 -6.155 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 51 7.659 -3.641 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 51 8.184 -6.243 -9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.284 -5.170 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.855 -4.301 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.768 -3.654 -9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.193 -6.379 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.669 -4.916 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.696 -6.403 -6.679 1.00 0.00 H new ATOM 808 N ARG A 52 5.609 -4.928 -9.803 1.00 0.00 N ATOM 809 CA ARG A 52 4.802 -4.622 -10.976 1.00 0.00 C ATOM 810 C ARG A 52 3.724 -3.594 -10.646 1.00 0.00 C ATOM 811 O ARG A 52 3.340 -2.786 -11.492 1.00 0.00 O ATOM 812 CB ARG A 52 4.163 -5.899 -11.529 1.00 0.00 C ATOM 813 CG ARG A 52 3.307 -5.668 -12.763 1.00 0.00 C ATOM 814 CD ARG A 52 4.093 -5.918 -14.041 1.00 0.00 C ATOM 815 NE ARG A 52 4.792 -4.718 -14.497 1.00 0.00 N ATOM 816 CZ ARG A 52 4.177 -3.612 -14.909 1.00 0.00 C ATOM 817 NH1 ARG A 52 2.851 -3.547 -14.923 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.889 -2.567 -15.308 1.00 0.00 N ATOM 0 H ARG A 52 5.399 -5.826 -9.367 1.00 0.00 H new ATOM 0 HA ARG A 52 5.457 -4.196 -11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.950 -6.613 -11.772 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.549 -6.354 -10.752 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.439 -6.327 -12.734 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.931 -4.645 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.816 -6.716 -13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.415 -6.262 -14.822 1.00 0.00 H new ATOM 0 HE ARG A 52 5.812 -4.729 -14.500 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.298 -4.347 -14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.385 -2.697 -15.240 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.908 -2.611 -15.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.418 -1.719 -15.624 1.00 0.00 H new ATOM 832 N GLU A 53 3.271 -3.609 -9.400 1.00 0.00 N ATOM 833 CA GLU A 53 2.270 -2.654 -8.939 1.00 0.00 C ATOM 834 C GLU A 53 2.939 -1.316 -8.634 1.00 0.00 C ATOM 835 O GLU A 53 2.366 -0.253 -8.830 1.00 0.00 O ATOM 836 CB GLU A 53 1.554 -3.186 -7.694 1.00 0.00 C ATOM 837 CG GLU A 53 0.106 -3.574 -7.943 1.00 0.00 C ATOM 838 CD GLU A 53 -0.031 -4.690 -8.960 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.560 -5.769 -8.740 1.00 0.00 O ATOM 840 OE2 GLU A 53 -0.729 -4.487 -9.975 1.00 0.00 O ATOM 0 H GLU A 53 3.580 -4.272 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 53 1.528 -2.512 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.094 -4.055 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.589 -2.426 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.350 -3.886 -7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.446 -2.701 -8.291 1.00 0.00 H new ATOM 847 N LEU A 54 4.146 -1.412 -8.089 1.00 0.00 N ATOM 848 CA LEU A 54 4.883 -0.221 -7.686 1.00 0.00 C ATOM 849 C LEU A 54 4.856 0.787 -8.824 1.00 0.00 C ATOM 850 O LEU A 54 4.548 1.961 -8.623 1.00 0.00 O ATOM 851 CB LEU A 54 6.325 -0.582 -7.334 1.00 0.00 C ATOM 852 CG LEU A 54 6.820 -0.008 -6.009 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.925 -1.102 -4.960 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.155 0.693 -6.199 1.00 0.00 C ATOM 0 H LEU A 54 4.631 -2.293 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 54 4.415 0.213 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.416 -1.668 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.978 -0.232 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 54 6.097 0.728 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.279 -0.674 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.945 -1.553 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.626 -1.865 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.493 1.096 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.890 -0.020 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.040 1.506 -6.916 1.00 0.00 H new ATOM 866 N GLN A 55 5.178 0.319 -10.018 1.00 0.00 N ATOM 867 CA GLN A 55 5.190 1.182 -11.198 1.00 0.00 C ATOM 868 C GLN A 55 3.771 1.422 -11.709 1.00 0.00 C ATOM 869 O GLN A 55 3.439 2.516 -12.166 1.00 0.00 O ATOM 870 CB GLN A 55 6.044 0.557 -12.303 1.00 0.00 C ATOM 871 CG GLN A 55 6.150 1.418 -13.552 1.00 0.00 C ATOM 872 CD GLN A 55 7.585 1.720 -13.934 1.00 0.00 C ATOM 873 OE1 GLN A 55 8.002 2.878 -13.965 1.00 0.00 O ATOM 874 NE2 GLN A 55 8.351 0.675 -14.227 1.00 0.00 N ATOM 0 H GLN A 55 5.435 -0.651 -10.201 1.00 0.00 H new ATOM 0 HA GLN A 55 5.622 2.141 -10.913 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.045 0.370 -11.915 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.621 -0.411 -12.574 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.657 0.911 -14.381 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.617 2.355 -13.389 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.964 -0.268 -14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.326 0.816 -14.491 1.00 0.00 H new ATOM 883 N GLU A 56 2.946 0.389 -11.631 1.00 0.00 N ATOM 884 CA GLU A 56 1.561 0.473 -12.086 1.00 0.00 C ATOM 885 C GLU A 56 0.747 1.416 -11.210 1.00 0.00 C ATOM 886 O GLU A 56 -0.268 1.960 -11.645 1.00 0.00 O ATOM 887 CB GLU A 56 0.916 -0.910 -12.066 1.00 0.00 C ATOM 888 CG GLU A 56 -0.275 -1.047 -13.002 1.00 0.00 C ATOM 889 CD GLU A 56 -0.887 -2.436 -12.967 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.771 -2.676 -12.116 1.00 0.00 O ATOM 891 OE2 GLU A 56 -0.484 -3.283 -13.791 1.00 0.00 O ATOM 0 H GLU A 56 3.210 -0.522 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 56 1.571 0.863 -13.104 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.666 -1.654 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.595 -1.136 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.033 -0.313 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.039 -0.818 -14.020 1.00 0.00 H new ATOM 898 N GLU A 57 1.180 1.585 -9.967 1.00 0.00 N ATOM 899 CA GLU A 57 0.470 2.438 -9.029 1.00 0.00 C ATOM 900 C GLU A 57 1.225 3.739 -8.740 1.00 0.00 C ATOM 901 O GLU A 57 0.802 4.528 -7.895 1.00 0.00 O ATOM 902 CB GLU A 57 0.206 1.687 -7.722 1.00 0.00 C ATOM 903 CG GLU A 57 -0.421 0.305 -7.895 1.00 0.00 C ATOM 904 CD GLU A 57 -1.256 0.172 -9.154 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.995 1.121 -9.481 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.176 -0.889 -9.806 1.00 0.00 O ATOM 0 H GLU A 57 2.017 1.143 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.478 2.706 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.148 1.579 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.450 2.293 -7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.370 -0.444 -7.913 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.047 0.088 -7.029 1.00 0.00 H new ATOM 913 N VAL A 58 2.329 3.969 -9.447 1.00 0.00 N ATOM 914 CA VAL A 58 3.111 5.186 -9.258 1.00 0.00 C ATOM 915 C VAL A 58 3.476 5.799 -10.602 1.00 0.00 C ATOM 916 O VAL A 58 3.351 7.007 -10.804 1.00 0.00 O ATOM 917 CB VAL A 58 4.403 4.916 -8.459 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.149 6.211 -8.186 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.087 4.203 -7.156 1.00 0.00 C ATOM 0 H VAL A 58 2.700 3.332 -10.152 1.00 0.00 H new ATOM 0 HA VAL A 58 2.491 5.881 -8.691 1.00 0.00 H new ATOM 0 HB VAL A 58 5.044 4.271 -9.060 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.056 5.996 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.413 6.685 -9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.513 6.882 -7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.011 4.022 -6.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.423 4.823 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.600 3.252 -7.371 1.00 0.00 H new ATOM 929 N GLY A 59 3.906 4.947 -11.528 1.00 0.00 N ATOM 930 CA GLY A 59 4.261 5.401 -12.858 1.00 0.00 C ATOM 931 C GLY A 59 5.578 6.143 -12.934 1.00 0.00 C ATOM 932 O GLY A 59 6.356 5.951 -13.867 1.00 0.00 O ATOM 0 H GLY A 59 4.015 3.944 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.305 4.539 -13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.469 6.051 -13.230 1.00 0.00 H new ATOM 936 N ILE A 60 5.820 6.994 -11.961 1.00 0.00 N ATOM 937 CA ILE A 60 7.044 7.783 -11.916 1.00 0.00 C ATOM 938 C ILE A 60 8.224 6.942 -11.427 1.00 0.00 C ATOM 939 O ILE A 60 8.132 5.718 -11.349 1.00 0.00 O ATOM 940 CB ILE A 60 6.911 9.043 -11.017 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.727 8.958 -10.054 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.806 10.297 -11.870 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.922 9.799 -8.811 1.00 0.00 C ATOM 0 H ILE A 60 5.183 7.162 -11.182 1.00 0.00 H new ATOM 0 HA ILE A 60 7.226 8.114 -12.939 1.00 0.00 H new ATOM 0 HB ILE A 60 7.815 9.093 -10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.822 9.282 -10.568 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.574 7.919 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.713 11.170 -11.224 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.700 10.394 -12.485 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.929 10.227 -12.513 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.050 9.700 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.810 9.460 -8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.046 10.844 -9.095 1.00 0.00 H new ATOM 955 N THR A 61 9.330 7.613 -11.110 1.00 0.00 N ATOM 956 CA THR A 61 10.535 6.945 -10.630 1.00 0.00 C ATOM 957 C THR A 61 10.765 7.264 -9.160 1.00 0.00 C ATOM 958 O THR A 61 11.401 8.262 -8.824 1.00 0.00 O ATOM 959 CB THR A 61 11.731 7.403 -11.453 1.00 0.00 C ATOM 960 OG1 THR A 61 12.939 6.875 -10.936 1.00 0.00 O ATOM 961 CG2 THR A 61 11.874 8.907 -11.529 1.00 0.00 C ATOM 0 H THR A 61 9.415 8.627 -11.178 1.00 0.00 H new ATOM 0 HA THR A 61 10.412 5.867 -10.737 1.00 0.00 H new ATOM 0 HB THR A 61 11.541 7.026 -12.458 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.691 7.183 -11.483 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.747 9.160 -12.131 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.982 9.335 -11.986 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.996 9.312 -10.524 1.00 0.00 H new ATOM 969 N PRO A 62 10.200 6.453 -8.259 1.00 0.00 N ATOM 970 CA PRO A 62 10.286 6.674 -6.837 1.00 0.00 C ATOM 971 C PRO A 62 11.165 5.695 -6.088 1.00 0.00 C ATOM 972 O PRO A 62 11.097 4.488 -6.317 1.00 0.00 O ATOM 973 CB PRO A 62 8.830 6.425 -6.460 1.00 0.00 C ATOM 974 CG PRO A 62 8.427 5.270 -7.329 1.00 0.00 C ATOM 975 CD PRO A 62 9.353 5.285 -8.527 1.00 0.00 C ATOM 0 HA PRO A 62 10.722 7.642 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.726 6.185 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.212 7.303 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.512 4.329 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.387 5.365 -7.642 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.938 4.368 -8.600 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.804 5.388 -9.463 1.00 0.00 H new ATOM 983 N GLN A 63 11.927 6.210 -5.126 1.00 0.00 N ATOM 984 CA GLN A 63 12.722 5.337 -4.292 1.00 0.00 C ATOM 985 C GLN A 63 11.732 4.688 -3.349 1.00 0.00 C ATOM 986 O GLN A 63 11.547 5.110 -2.208 1.00 0.00 O ATOM 987 CB GLN A 63 13.785 6.117 -3.515 1.00 0.00 C ATOM 988 CG GLN A 63 14.861 6.727 -4.399 1.00 0.00 C ATOM 989 CD GLN A 63 15.812 7.620 -3.628 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.834 7.606 -2.398 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.607 8.401 -4.351 1.00 0.00 N ATOM 0 H GLN A 63 12.005 7.205 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 63 13.268 4.603 -4.885 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.299 6.911 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.255 5.451 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.427 5.929 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.389 7.305 -5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.554 8.379 -5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.270 9.022 -3.888 1.00 0.00 H new ATOM 1000 N HIS A 64 11.055 3.693 -3.886 1.00 0.00 N ATOM 1001 CA HIS A 64 10.011 2.981 -3.183 1.00 0.00 C ATOM 1002 C HIS A 64 10.410 1.535 -3.011 1.00 0.00 C ATOM 1003 O HIS A 64 10.724 0.848 -3.983 1.00 0.00 O ATOM 1004 CB HIS A 64 8.727 3.123 -4.010 1.00 0.00 C ATOM 1005 CG HIS A 64 7.540 2.311 -3.556 1.00 0.00 C ATOM 1006 ND1 HIS A 64 7.628 1.091 -2.909 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.215 2.566 -3.680 1.00 0.00 C ATOM 1008 CE1 HIS A 64 6.411 0.638 -2.659 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.539 1.514 -3.116 1.00 0.00 N ATOM 0 H HIS A 64 11.218 3.353 -4.834 1.00 0.00 H new ATOM 0 HA HIS A 64 9.848 3.389 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.439 4.174 -4.015 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.953 2.850 -5.041 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.772 3.438 -4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.172 -0.292 -2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.525 1.424 -3.059 1.00 0.00 H new ATOM 1018 N PHE A 65 10.417 1.071 -1.768 1.00 0.00 N ATOM 1019 CA PHE A 65 10.801 -0.288 -1.482 1.00 0.00 C ATOM 1020 C PHE A 65 10.804 -0.553 0.017 1.00 0.00 C ATOM 1021 O PHE A 65 10.382 0.282 0.809 1.00 0.00 O ATOM 1022 CB PHE A 65 12.195 -0.521 -2.033 1.00 0.00 C ATOM 1023 CG PHE A 65 12.359 -1.836 -2.740 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.431 -2.242 -3.685 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.437 -2.662 -2.465 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.575 -3.447 -4.345 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.585 -3.870 -3.122 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.653 -4.262 -4.065 1.00 0.00 C ATOM 0 H PHE A 65 10.160 1.622 -0.949 1.00 0.00 H new ATOM 0 HA PHE A 65 10.083 -0.964 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.441 0.285 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 65 12.912 -0.468 -1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.585 -1.609 -3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.169 -2.360 -1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.844 -3.751 -5.080 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.428 -4.507 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.768 -5.204 -4.581 1.00 0.00 H new ATOM 1038 N SER A 66 11.292 -1.725 0.388 1.00 0.00 N ATOM 1039 CA SER A 66 11.371 -2.127 1.788 1.00 0.00 C ATOM 1040 C SER A 66 9.990 -2.447 2.324 1.00 0.00 C ATOM 1041 O SER A 66 8.990 -2.013 1.762 1.00 0.00 O ATOM 1042 CB SER A 66 12.022 -1.027 2.632 1.00 0.00 C ATOM 1043 OG SER A 66 12.436 -1.529 3.892 1.00 0.00 O ATOM 0 H SER A 66 11.644 -2.424 -0.267 1.00 0.00 H new ATOM 0 HA SER A 66 11.989 -3.022 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.881 -0.616 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.316 -0.209 2.777 1.00 0.00 H new ATOM 0 HG SER A 66 12.850 -0.808 4.411 1.00 0.00 H new ATOM 1049 N LEU A 67 9.943 -3.213 3.406 1.00 0.00 N ATOM 1050 CA LEU A 67 8.676 -3.596 4.012 1.00 0.00 C ATOM 1051 C LEU A 67 8.555 -3.037 5.423 1.00 0.00 C ATOM 1052 O LEU A 67 9.289 -3.447 6.323 1.00 0.00 O ATOM 1053 CB LEU A 67 8.550 -5.123 4.039 1.00 0.00 C ATOM 1054 CG LEU A 67 7.366 -5.668 4.845 1.00 0.00 C ATOM 1055 CD1 LEU A 67 6.684 -6.802 4.095 1.00 0.00 C ATOM 1056 CD2 LEU A 67 7.828 -6.135 6.217 1.00 0.00 C ATOM 0 H LEU A 67 10.767 -3.581 3.881 1.00 0.00 H new ATOM 0 HA LEU A 67 7.869 -3.179 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.466 -5.482 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.470 -5.540 4.449 1.00 0.00 H new ATOM 0 HG LEU A 67 6.642 -4.864 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.846 -7.175 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.319 -6.436 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.398 -7.609 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.975 -6.519 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.571 -6.924 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.269 -5.297 6.757 1.00 0.00 H new ATOM 1068 N PHE A 68 7.637 -2.094 5.617 1.00 0.00 N ATOM 1069 CA PHE A 68 7.446 -1.487 6.925 1.00 0.00 C ATOM 1070 C PHE A 68 6.714 -2.463 7.846 1.00 0.00 C ATOM 1071 O PHE A 68 6.984 -2.533 9.044 1.00 0.00 O ATOM 1072 CB PHE A 68 6.658 -0.170 6.787 1.00 0.00 C ATOM 1073 CG PHE A 68 5.410 -0.092 7.631 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.296 -0.851 7.313 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.353 0.739 8.739 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.149 -0.786 8.082 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.209 0.810 9.513 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.105 0.045 9.184 1.00 0.00 C ATOM 0 H PHE A 68 7.019 -1.737 4.888 1.00 0.00 H new ATOM 0 HA PHE A 68 8.418 -1.259 7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.313 0.659 7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.382 -0.035 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.324 -1.503 6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.212 1.338 9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.289 -1.384 7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.178 1.462 10.373 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.211 0.097 9.787 1.00 0.00 H new ATOM 1088 N GLU A 69 5.788 -3.217 7.262 1.00 0.00 N ATOM 1089 CA GLU A 69 5.011 -4.201 8.006 1.00 0.00 C ATOM 1090 C GLU A 69 4.179 -5.055 7.054 1.00 0.00 C ATOM 1091 O GLU A 69 3.887 -4.643 5.935 1.00 0.00 O ATOM 1092 CB GLU A 69 4.096 -3.503 9.015 1.00 0.00 C ATOM 1093 CG GLU A 69 3.933 -4.269 10.319 1.00 0.00 C ATOM 1094 CD GLU A 69 2.855 -3.682 11.208 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.499 -2.501 11.009 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.365 -4.402 12.103 1.00 0.00 O ATOM 0 H GLU A 69 5.557 -3.164 6.270 1.00 0.00 H new ATOM 0 HA GLU A 69 5.703 -4.849 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.497 -2.513 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.115 -3.358 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.690 -5.308 10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.881 -4.270 10.856 1.00 0.00 H new ATOM 1103 N LYS A 70 3.794 -6.240 7.497 1.00 0.00 N ATOM 1104 CA LYS A 70 2.984 -7.132 6.677 1.00 0.00 C ATOM 1105 C LYS A 70 1.993 -7.885 7.559 1.00 0.00 C ATOM 1106 O LYS A 70 2.376 -8.417 8.601 1.00 0.00 O ATOM 1107 CB LYS A 70 3.873 -8.120 5.917 1.00 0.00 C ATOM 1108 CG LYS A 70 4.836 -8.884 6.811 1.00 0.00 C ATOM 1109 CD LYS A 70 4.315 -10.275 7.134 1.00 0.00 C ATOM 1110 CE LYS A 70 4.153 -11.115 5.877 1.00 0.00 C ATOM 1111 NZ LYS A 70 4.504 -12.542 6.113 1.00 0.00 N ATOM 0 H LYS A 70 4.028 -6.609 8.419 1.00 0.00 H new ATOM 0 HA LYS A 70 2.434 -6.536 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.240 -8.832 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.443 -7.577 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.805 -8.963 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.992 -8.329 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.002 -10.772 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.356 -10.196 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.123 -11.048 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.786 -10.711 5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.495 -13.056 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.452 -12.601 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.810 -12.968 6.760 1.00 0.00 H new ATOM 1125 N LEU A 71 0.724 -7.930 7.161 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.269 -8.624 7.965 1.00 0.00 C ATOM 1127 C LEU A 71 -0.531 -10.043 7.455 1.00 0.00 C ATOM 1128 O LEU A 71 -1.013 -10.251 6.342 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.574 -7.812 7.985 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.880 -8.621 8.018 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.198 -9.064 9.436 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -4.024 -7.802 7.439 1.00 0.00 C ATOM 0 H LEU A 71 0.368 -7.503 6.306 1.00 0.00 H new ATOM 0 HA LEU A 71 0.122 -8.715 8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.556 -7.157 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.591 -7.171 7.104 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.752 -9.513 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.126 -9.635 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.387 -9.687 9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.309 -8.188 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.943 -8.388 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.154 -6.893 8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.796 -7.537 6.406 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.167 -11.001 8.293 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.316 -12.400 7.956 1.00 0.00 C ATOM 1146 C GLU A 72 -1.328 -13.090 8.866 1.00 0.00 C ATOM 1147 O GLU A 72 -1.065 -13.342 10.042 1.00 0.00 O ATOM 1148 CB GLU A 72 1.042 -13.091 8.046 1.00 0.00 C ATOM 1149 CG GLU A 72 0.962 -14.584 7.848 1.00 0.00 C ATOM 1150 CD GLU A 72 2.309 -15.268 7.974 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.335 -14.620 7.676 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.339 -16.452 8.372 1.00 0.00 O ATOM 0 H GLU A 72 0.235 -10.830 9.215 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.694 -12.471 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.709 -12.667 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.485 -12.883 9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.275 -15.007 8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.545 -14.793 6.863 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.483 -13.405 8.286 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.560 -14.084 8.997 1.00 0.00 C ATOM 1161 C TYR A 73 -4.252 -15.077 8.068 1.00 0.00 C ATOM 1162 O TYR A 73 -4.604 -14.732 6.940 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.573 -13.070 9.531 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.477 -13.627 10.607 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.964 -14.399 11.641 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.844 -13.380 10.588 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.788 -14.910 12.626 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.674 -13.887 11.569 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.141 -14.652 12.586 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.964 -15.158 13.565 1.00 0.00 O ATOM 0 H TYR A 73 -2.698 -13.197 7.311 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.133 -14.624 9.842 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.037 -12.208 9.929 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.185 -12.711 8.704 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.904 -14.603 11.676 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.265 -12.782 9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.373 -15.509 13.423 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.735 -13.686 11.540 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.888 -14.883 13.390 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.447 -16.306 8.532 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.101 -17.319 7.706 1.00 0.00 C ATOM 1182 C GLU A 74 -6.453 -17.727 8.274 1.00 0.00 C ATOM 1183 O GLU A 74 -6.625 -17.878 9.484 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.219 -18.556 7.528 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.372 -18.890 8.744 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.264 -19.877 8.430 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.574 -21.066 8.207 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.087 -19.459 8.406 1.00 0.00 O ATOM 0 H GLU A 74 -4.168 -16.624 9.460 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.262 -16.863 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.853 -19.411 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.562 -18.402 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.935 -17.973 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.011 -19.303 9.525 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.401 -17.907 7.368 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.752 -18.304 7.705 1.00 0.00 C ATOM 1197 C PHE A 75 -8.927 -19.803 7.473 1.00 0.00 C ATOM 1198 O PHE A 75 -8.098 -20.433 6.816 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.749 -17.513 6.864 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.320 -16.300 7.551 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.604 -16.310 8.909 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.573 -15.144 6.829 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -11.126 -15.192 9.532 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -11.096 -14.023 7.446 1.00 0.00 C ATOM 1205 CZ PHE A 75 -11.373 -14.048 8.799 1.00 0.00 C ATOM 0 H PHE A 75 -7.249 -17.779 6.368 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.937 -18.091 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.258 -17.197 5.943 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.568 -18.173 6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.415 -17.203 9.487 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.359 -15.119 5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.340 -15.213 10.590 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -11.288 -13.129 6.871 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.782 -13.174 9.283 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.004 -20.398 8.012 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.298 -21.828 7.873 1.00 0.00 C ATOM 1217 C PRO A 76 -9.957 -22.394 6.500 1.00 0.00 C ATOM 1218 O PRO A 76 -9.695 -23.588 6.357 1.00 0.00 O ATOM 1219 CB PRO A 76 -11.814 -21.908 8.134 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.265 -20.493 8.342 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.049 -19.738 8.790 1.00 0.00 C ATOM 0 HA PRO A 76 -9.695 -22.422 8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.333 -22.364 7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.029 -22.520 9.010 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.669 -20.072 7.421 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.056 -20.441 9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.119 -18.674 8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.881 -19.827 9.863 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.965 -21.535 5.497 1.00 0.00 N ATOM 1230 CA ASP A 77 -9.657 -21.958 4.133 1.00 0.00 C ATOM 1231 C ASP A 77 -9.131 -20.803 3.280 1.00 0.00 C ATOM 1232 O ASP A 77 -8.230 -20.988 2.462 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.900 -22.559 3.475 1.00 0.00 C ATOM 1234 CG ASP A 77 -12.069 -21.594 3.456 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -12.087 -20.702 2.582 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -12.965 -21.729 4.314 1.00 0.00 O ATOM 0 H ASP A 77 -10.180 -20.543 5.595 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.872 -22.711 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.660 -22.854 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.189 -23.464 4.009 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.707 -19.619 3.458 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.301 -18.450 2.683 1.00 0.00 C ATOM 1243 C ARG A 78 -8.385 -17.526 3.483 1.00 0.00 C ATOM 1244 O ARG A 78 -8.858 -16.647 4.199 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.543 -17.679 2.238 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.367 -16.941 0.921 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.593 -16.110 0.578 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.703 -14.919 1.418 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.335 -14.888 2.591 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -12.908 -15.983 3.076 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -12.390 -13.759 3.282 1.00 0.00 N ATOM 0 H ARG A 78 -10.454 -19.443 4.130 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.743 -18.801 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.377 -18.374 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.811 -16.961 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.492 -16.293 0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.178 -17.659 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.546 -15.811 -0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.488 -16.720 0.696 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.269 -14.058 1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.866 -16.856 2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.390 -15.951 3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.949 -12.915 2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.873 -13.734 4.180 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.073 -17.707 3.343 1.00 0.00 N ATOM 1266 CA HIS A 79 -6.100 -16.878 4.041 1.00 0.00 C ATOM 1267 C HIS A 79 -5.817 -15.602 3.259 1.00 0.00 C ATOM 1268 O HIS A 79 -5.961 -15.568 2.038 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.807 -17.677 4.265 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.552 -16.856 4.228 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.941 -16.359 5.360 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.792 -16.452 3.183 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.860 -15.685 5.013 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.745 -15.727 3.698 1.00 0.00 N ATOM 0 H HIS A 79 -6.660 -18.426 2.748 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.511 -16.591 5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.869 -18.180 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.739 -18.455 3.504 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.272 -16.491 6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.975 -16.661 2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.184 -15.184 5.690 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.389 -14.561 3.966 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.060 -13.296 3.345 1.00 0.00 C ATOM 1285 C ILE A 80 -3.672 -12.852 3.794 1.00 0.00 C ATOM 1286 O ILE A 80 -3.280 -13.077 4.938 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.090 -12.204 3.704 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.574 -10.832 3.280 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.386 -12.219 5.195 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.647 -9.767 3.226 1.00 0.00 C ATOM 0 H ILE A 80 -5.263 -14.576 4.978 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.078 -13.437 2.264 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.016 -12.411 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.796 -10.516 3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.109 -10.916 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.114 -11.442 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.790 -13.192 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.467 -12.034 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.204 -8.820 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.414 -10.060 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.096 -9.653 4.212 1.00 0.00 H new ATOM 1302 N THR A 81 -2.934 -12.221 2.893 1.00 0.00 N ATOM 1303 CA THR A 81 -1.596 -11.748 3.205 1.00 0.00 C ATOM 1304 C THR A 81 -1.435 -10.301 2.757 1.00 0.00 C ATOM 1305 O THR A 81 -1.557 -9.994 1.572 1.00 0.00 O ATOM 1306 CB THR A 81 -0.560 -12.631 2.510 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.192 -13.602 1.692 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.348 -13.364 3.471 1.00 0.00 C ATOM 0 H THR A 81 -3.240 -12.025 1.940 1.00 0.00 H new ATOM 0 HA THR A 81 -1.442 -11.800 4.283 1.00 0.00 H new ATOM 0 HB THR A 81 0.045 -11.946 1.916 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.435 -14.380 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.058 -13.971 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.891 -12.642 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.249 -14.008 4.117 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.172 -9.412 3.706 1.00 0.00 N ATOM 1317 CA LEU A 82 -1.009 -7.999 3.392 1.00 0.00 C ATOM 1318 C LEU A 82 0.429 -7.549 3.624 1.00 0.00 C ATOM 1319 O LEU A 82 0.903 -7.526 4.753 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.961 -7.163 4.259 1.00 0.00 C ATOM 1321 CG LEU A 82 -2.828 -6.135 3.519 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -2.129 -5.616 2.272 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -4.179 -6.736 3.163 1.00 0.00 C ATOM 0 H LEU A 82 -1.067 -9.643 4.694 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.248 -7.852 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.621 -7.844 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.369 -6.636 5.007 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.987 -5.289 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.770 -4.890 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.190 -5.139 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.925 -6.447 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.781 -5.994 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.033 -7.604 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.693 -7.042 4.074 1.00 0.00 H new ATOM 1335 N TRP A 83 1.123 -7.188 2.555 1.00 0.00 N ATOM 1336 CA TRP A 83 2.503 -6.738 2.673 1.00 0.00 C ATOM 1337 C TRP A 83 2.603 -5.234 2.490 1.00 0.00 C ATOM 1338 O TRP A 83 2.212 -4.699 1.457 1.00 0.00 O ATOM 1339 CB TRP A 83 3.388 -7.446 1.646 1.00 0.00 C ATOM 1340 CG TRP A 83 3.528 -8.910 1.912 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.564 -9.742 2.393 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.697 -9.715 1.722 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.054 -11.016 2.509 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.363 -11.028 2.104 1.00 0.00 C ATOM 1345 CE3 TRP A 83 5.991 -9.455 1.263 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.277 -12.077 2.043 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 6.898 -10.497 1.203 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.537 -11.794 1.591 1.00 0.00 C ATOM 0 H TRP A 83 0.757 -7.197 1.603 1.00 0.00 H new ATOM 0 HA TRP A 83 2.851 -6.989 3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 83 2.968 -7.301 0.650 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.376 -6.985 1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.558 -9.441 2.647 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.529 -11.825 2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.277 -8.459 0.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.001 -13.078 2.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.901 -10.308 0.851 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.268 -12.587 1.532 1.00 0.00 H new ATOM 1359 N PHE A 84 3.147 -4.556 3.492 1.00 0.00 N ATOM 1360 CA PHE A 84 3.314 -3.109 3.424 1.00 0.00 C ATOM 1361 C PHE A 84 4.778 -2.780 3.129 1.00 0.00 C ATOM 1362 O PHE A 84 5.678 -3.277 3.805 1.00 0.00 O ATOM 1363 CB PHE A 84 2.849 -2.426 4.723 1.00 0.00 C ATOM 1364 CG PHE A 84 1.362 -2.520 4.975 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.675 -3.705 4.745 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.649 -1.422 5.443 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.684 -3.791 4.973 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.713 -1.508 5.672 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.378 -2.694 5.437 1.00 0.00 C ATOM 0 H PHE A 84 3.479 -4.981 4.358 1.00 0.00 H new ATOM 0 HA PHE A 84 2.689 -2.724 2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.378 -2.873 5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.135 -1.375 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.211 -4.570 4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.164 -0.491 5.630 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.204 -4.719 4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.255 -0.647 6.035 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.441 -2.763 5.616 1.00 0.00 H new ATOM 1379 N TRP A 85 5.017 -1.957 2.109 1.00 0.00 N ATOM 1380 CA TRP A 85 6.383 -1.593 1.729 1.00 0.00 C ATOM 1381 C TRP A 85 6.697 -0.146 2.090 1.00 0.00 C ATOM 1382 O TRP A 85 5.956 0.764 1.716 1.00 0.00 O ATOM 1383 CB TRP A 85 6.592 -1.812 0.229 1.00 0.00 C ATOM 1384 CG TRP A 85 6.391 -3.235 -0.196 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.201 -3.854 -0.452 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.410 -4.218 -0.414 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.418 -5.161 -0.816 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.766 -5.409 -0.799 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.805 -4.206 -0.320 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.469 -6.575 -1.091 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.502 -5.365 -0.610 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.833 -6.534 -0.992 1.00 0.00 C ATOM 0 H TRP A 85 4.289 -1.532 1.534 1.00 0.00 H new ATOM 0 HA TRP A 85 7.064 -2.236 2.287 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.902 -1.174 -0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.601 -1.499 -0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.231 -3.385 -0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.694 -5.837 -1.059 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.329 -3.308 -0.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 6.956 -7.479 -1.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.580 -5.368 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.406 -7.422 -1.213 1.00 0.00 H new ATOM 1403 N LEU A 86 7.775 0.072 2.852 1.00 0.00 N ATOM 1404 CA LEU A 86 8.104 1.432 3.268 1.00 0.00 C ATOM 1405 C LEU A 86 8.820 2.229 2.168 1.00 0.00 C ATOM 1406 O LEU A 86 10.031 2.126 1.982 1.00 0.00 O ATOM 1407 CB LEU A 86 8.984 1.387 4.518 1.00 0.00 C ATOM 1408 CG LEU A 86 9.432 2.752 5.045 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.266 3.484 5.691 1.00 0.00 C ATOM 1410 CD2 LEU A 86 10.577 2.590 6.035 1.00 0.00 C ATOM 0 H LEU A 86 8.413 -0.652 3.182 1.00 0.00 H new ATOM 0 HA LEU A 86 7.164 1.941 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.440 0.870 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.870 0.791 4.299 1.00 0.00 H new ATOM 0 HG LEU A 86 9.786 3.348 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.604 4.452 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.476 3.632 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.881 2.893 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.884 3.570 6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.249 1.977 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.420 2.107 5.541 1.00 0.00 H new ATOM 1422 N VAL A 87 8.030 3.023 1.454 1.00 0.00 N ATOM 1423 CA VAL A 87 8.502 3.865 0.347 1.00 0.00 C ATOM 1424 C VAL A 87 9.269 5.068 0.832 1.00 0.00 C ATOM 1425 O VAL A 87 8.985 5.597 1.904 1.00 0.00 O ATOM 1426 CB VAL A 87 7.338 4.364 -0.496 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.823 5.004 -1.789 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.384 3.215 -0.766 1.00 0.00 C ATOM 0 H VAL A 87 7.028 3.105 1.626 1.00 0.00 H new ATOM 0 HA VAL A 87 9.161 3.234 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 87 6.807 5.139 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.966 5.350 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.469 5.851 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.382 4.271 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.549 3.570 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.909 2.424 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.008 2.825 0.180 1.00 0.00 H new ATOM 1438 N GLU A 88 10.265 5.486 0.059 1.00 0.00 N ATOM 1439 CA GLU A 88 11.069 6.623 0.466 1.00 0.00 C ATOM 1440 C GLU A 88 10.929 7.877 -0.422 1.00 0.00 C ATOM 1441 O GLU A 88 11.075 8.987 0.090 1.00 0.00 O ATOM 1442 CB GLU A 88 12.541 6.216 0.560 1.00 0.00 C ATOM 1443 CG GLU A 88 13.455 7.339 1.023 1.00 0.00 C ATOM 1444 CD GLU A 88 14.835 6.844 1.410 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.211 5.734 0.978 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.540 7.566 2.146 1.00 0.00 O ATOM 0 H GLU A 88 10.528 5.064 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 88 10.680 6.914 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.634 5.376 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.876 5.866 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.548 8.078 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.001 7.844 1.876 1.00 0.00 H new ATOM 1453 N ARG A 89 10.684 7.746 -1.734 1.00 0.00 N ATOM 1454 CA ARG A 89 10.585 8.952 -2.571 1.00 0.00 C ATOM 1455 C ARG A 89 9.925 8.685 -3.922 1.00 0.00 C ATOM 1456 O ARG A 89 9.787 7.540 -4.330 1.00 0.00 O ATOM 1457 CB ARG A 89 11.977 9.591 -2.745 1.00 0.00 C ATOM 1458 CG ARG A 89 12.618 9.401 -4.116 1.00 0.00 C ATOM 1459 CD ARG A 89 13.690 10.447 -4.377 1.00 0.00 C ATOM 1460 NE ARG A 89 13.853 10.717 -5.803 1.00 0.00 N ATOM 1461 CZ ARG A 89 14.408 11.825 -6.291 1.00 0.00 C ATOM 1462 NH1 ARG A 89 14.858 12.767 -5.472 1.00 0.00 N ATOM 1463 NH2 ARG A 89 14.513 11.990 -7.603 1.00 0.00 N ATOM 0 H ARG A 89 10.556 6.860 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 89 9.933 9.655 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.895 10.660 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.645 9.177 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.056 8.405 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.852 9.462 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.429 11.371 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.638 10.106 -3.961 1.00 0.00 H new ATOM 0 HE ARG A 89 13.522 10.015 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 89 14.780 12.645 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 89 15.282 13.613 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.169 11.269 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 89 14.938 12.838 -7.978 1.00 0.00 H new ATOM 1477 N TRP A 90 9.543 9.768 -4.613 1.00 0.00 N ATOM 1478 CA TRP A 90 8.917 9.674 -5.935 1.00 0.00 C ATOM 1479 C TRP A 90 9.228 10.913 -6.778 1.00 0.00 C ATOM 1480 O TRP A 90 9.056 12.040 -6.313 1.00 0.00 O ATOM 1481 CB TRP A 90 7.406 9.466 -5.798 1.00 0.00 C ATOM 1482 CG TRP A 90 6.623 10.722 -5.564 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.373 11.718 -6.464 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.974 11.103 -4.351 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.606 12.696 -5.881 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.345 12.340 -4.585 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.863 10.516 -3.088 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.612 12.999 -3.602 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.134 11.172 -2.115 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.515 12.400 -2.377 1.00 0.00 C ATOM 0 H TRP A 90 9.658 10.723 -4.274 1.00 0.00 H new ATOM 0 HA TRP A 90 9.335 8.810 -6.451 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.035 8.985 -6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.220 8.778 -4.973 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.727 11.734 -7.484 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.283 13.549 -6.339 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.337 9.569 -2.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.137 13.949 -3.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.040 10.729 -1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.949 12.884 -1.595 1.00 0.00 H new ATOM 1501 N GLU A 91 9.700 10.712 -8.018 1.00 0.00 N ATOM 1502 CA GLU A 91 10.031 11.842 -8.881 1.00 0.00 C ATOM 1503 C GLU A 91 8.778 12.461 -9.491 1.00 0.00 C ATOM 1504 O GLU A 91 7.781 11.776 -9.719 1.00 0.00 O ATOM 1505 CB GLU A 91 10.984 11.407 -9.991 1.00 0.00 C ATOM 1506 CG GLU A 91 11.481 12.556 -10.852 1.00 0.00 C ATOM 1507 CD GLU A 91 12.947 12.420 -11.220 1.00 0.00 C ATOM 1508 OE1 GLU A 91 13.480 11.295 -11.123 1.00 0.00 O ATOM 1509 OE2 GLU A 91 13.559 13.438 -11.603 1.00 0.00 O ATOM 0 H GLU A 91 9.857 9.794 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 91 10.520 12.595 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.841 10.901 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.480 10.679 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.885 12.606 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.330 13.495 -10.320 1.00 0.00 H new ATOM 1516 N GLY A 92 8.841 13.763 -9.756 1.00 0.00 N ATOM 1517 CA GLY A 92 7.711 14.463 -10.342 1.00 0.00 C ATOM 1518 C GLY A 92 6.430 14.275 -9.554 1.00 0.00 C ATOM 1519 O GLY A 92 6.370 14.592 -8.367 1.00 0.00 O ATOM 0 H GLY A 92 9.657 14.347 -9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.941 15.527 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.560 14.109 -11.362 1.00 0.00 H new ATOM 1523 N GLU A 93 5.405 13.755 -10.218 1.00 0.00 N ATOM 1524 CA GLU A 93 4.116 13.520 -9.578 1.00 0.00 C ATOM 1525 C GLU A 93 3.757 12.038 -9.627 1.00 0.00 C ATOM 1526 O GLU A 93 4.001 11.370 -10.630 1.00 0.00 O ATOM 1527 CB GLU A 93 3.025 14.346 -10.262 1.00 0.00 C ATOM 1528 CG GLU A 93 1.967 14.869 -9.306 1.00 0.00 C ATOM 1529 CD GLU A 93 1.412 16.214 -9.732 1.00 0.00 C ATOM 1530 OE1 GLU A 93 0.452 16.234 -10.530 1.00 0.00 O ATOM 1531 OE2 GLU A 93 1.938 17.248 -9.268 1.00 0.00 O ATOM 0 H GLU A 93 5.441 13.487 -11.202 1.00 0.00 H new ATOM 0 HA GLU A 93 4.189 13.827 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.488 15.189 -10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.543 13.735 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.152 14.148 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.396 14.956 -8.308 1.00 0.00 H new ATOM 1538 N PRO A 94 3.150 11.505 -8.553 1.00 0.00 N ATOM 1539 CA PRO A 94 2.737 10.114 -8.504 1.00 0.00 C ATOM 1540 C PRO A 94 1.451 9.902 -9.276 1.00 0.00 C ATOM 1541 O PRO A 94 0.472 10.618 -9.061 1.00 0.00 O ATOM 1542 CB PRO A 94 2.545 9.832 -7.014 1.00 0.00 C ATOM 1543 CG PRO A 94 2.379 11.161 -6.349 1.00 0.00 C ATOM 1544 CD PRO A 94 2.763 12.234 -7.340 1.00 0.00 C ATOM 0 HA PRO A 94 3.466 9.444 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.671 9.203 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.404 9.299 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.348 11.297 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.006 11.222 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.930 12.910 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.586 12.842 -6.965 1.00 0.00 H new ATOM 1552 N TRP A 95 1.437 8.929 -10.176 1.00 0.00 N ATOM 1553 CA TRP A 95 0.238 8.676 -10.953 1.00 0.00 C ATOM 1554 C TRP A 95 -0.091 7.197 -11.037 1.00 0.00 C ATOM 1555 O TRP A 95 -1.138 6.756 -10.563 1.00 0.00 O ATOM 1556 CB TRP A 95 0.367 9.241 -12.370 1.00 0.00 C ATOM 1557 CG TRP A 95 1.688 8.972 -13.040 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.816 9.722 -12.932 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.014 7.892 -13.931 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.820 9.198 -13.712 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.352 8.076 -14.337 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.308 6.792 -14.428 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.991 7.206 -15.219 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.946 5.928 -15.299 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.274 6.142 -15.691 1.00 0.00 C ATOM 0 H TRP A 95 2.225 8.315 -10.382 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.575 9.181 -10.431 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.429 8.823 -12.986 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.208 10.319 -12.332 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.911 10.606 -12.319 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.760 9.583 -13.808 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.282 6.620 -14.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.016 7.367 -15.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.411 5.073 -15.684 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.740 5.453 -16.380 1.00 0.00 H new ATOM 1576 N GLY A 96 0.803 6.442 -11.662 1.00 0.00 N ATOM 1577 CA GLY A 96 0.593 5.012 -11.832 1.00 0.00 C ATOM 1578 C GLY A 96 -0.853 4.662 -12.150 1.00 0.00 C ATOM 1579 O GLY A 96 -1.273 4.715 -13.306 1.00 0.00 O ATOM 0 H GLY A 96 1.675 6.794 -12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.235 4.648 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.896 4.494 -10.922 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.611 4.311 -11.111 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.023 3.954 -11.253 1.00 0.00 C ATOM 1585 C LYS A 97 -3.528 3.257 -9.990 1.00 0.00 C ATOM 1586 O LYS A 97 -4.253 2.265 -10.061 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.237 3.048 -12.475 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.000 3.724 -13.603 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.351 2.741 -14.709 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.198 3.372 -16.083 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.791 4.736 -16.137 1.00 0.00 N ATOM 0 H LYS A 97 -1.266 4.266 -10.152 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.591 4.873 -11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.267 2.719 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.778 2.154 -12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.913 4.171 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.400 4.536 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.707 1.864 -14.636 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.376 2.395 -14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.141 3.425 -16.342 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.677 2.738 -16.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.100 4.942 -17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.608 4.785 -15.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.079 5.436 -15.845 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.134 3.781 -8.832 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.538 3.204 -7.554 1.00 0.00 C ATOM 1607 C GLU A 98 -5.035 3.378 -7.317 1.00 0.00 C ATOM 1608 O GLU A 98 -5.727 2.427 -6.955 1.00 0.00 O ATOM 1609 CB GLU A 98 -2.745 3.841 -6.410 1.00 0.00 C ATOM 1610 CG GLU A 98 -2.983 5.334 -6.262 1.00 0.00 C ATOM 1611 CD GLU A 98 -2.118 5.958 -5.183 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.527 5.930 -4.004 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -1.031 6.475 -5.519 1.00 0.00 O ATOM 0 H GLU A 98 -2.536 4.603 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.323 2.136 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.009 3.345 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.682 3.666 -6.574 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.782 5.826 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.033 5.509 -6.028 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.535 4.594 -7.523 1.00 0.00 N ATOM 1621 CA GLY A 99 -6.950 4.849 -7.324 1.00 0.00 C ATOM 1622 C GLY A 99 -7.305 6.324 -7.362 1.00 0.00 C ATOM 1623 O GLY A 99 -6.974 7.027 -8.316 1.00 0.00 O ATOM 0 H GLY A 99 -4.989 5.402 -7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.518 4.326 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.256 4.433 -6.364 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.994 6.786 -6.322 1.00 0.00 N ATOM 1628 CA GLN A 100 -8.417 8.180 -6.231 1.00 0.00 C ATOM 1629 C GLN A 100 -7.261 9.099 -5.858 1.00 0.00 C ATOM 1630 O GLN A 100 -6.526 8.843 -4.905 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.548 8.322 -5.212 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.877 7.764 -5.696 1.00 0.00 C ATOM 1633 CD GLN A 100 -10.779 6.314 -6.130 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -10.799 5.403 -5.302 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -10.671 6.094 -7.436 1.00 0.00 N ATOM 0 H GLN A 100 -8.272 6.211 -5.526 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.775 8.480 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.263 7.812 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.674 9.376 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.615 7.851 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.237 8.365 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.659 6.880 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.601 5.139 -7.788 1.00 0.00 H new ATOM 1644 N PRO A 101 -7.100 10.193 -6.619 1.00 0.00 N ATOM 1645 CA PRO A 101 -6.042 11.181 -6.393 1.00 0.00 C ATOM 1646 C PRO A 101 -5.866 11.541 -4.919 1.00 0.00 C ATOM 1647 O PRO A 101 -6.838 11.628 -4.168 1.00 0.00 O ATOM 1648 CB PRO A 101 -6.564 12.381 -7.172 1.00 0.00 C ATOM 1649 CG PRO A 101 -7.276 11.781 -8.326 1.00 0.00 C ATOM 1650 CD PRO A 101 -7.948 10.557 -7.776 1.00 0.00 C ATOM 0 HA PRO A 101 -5.061 10.820 -6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.233 12.991 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.751 13.029 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.004 12.476 -8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.583 11.524 -9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.974 10.764 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.989 9.755 -8.513 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.615 11.748 -4.513 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.326 12.097 -3.133 1.00 0.00 C ATOM 1660 C GLY A 102 -3.339 13.245 -3.012 1.00 0.00 C ATOM 1661 O GLY A 102 -2.828 13.742 -4.016 1.00 0.00 O ATOM 0 H GLY A 102 -3.796 11.680 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.254 12.367 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.926 11.224 -2.618 1.00 0.00 H new ATOM 1665 N GLU A 103 -3.066 13.661 -1.777 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.126 14.750 -1.522 1.00 0.00 C ATOM 1667 C GLU A 103 -1.060 14.320 -0.517 1.00 0.00 C ATOM 1668 O GLU A 103 -1.327 13.514 0.374 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.870 15.981 -1.000 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.079 17.272 -1.133 1.00 0.00 C ATOM 1671 CD GLU A 103 -2.941 18.507 -0.953 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -3.144 18.926 0.205 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -3.414 19.053 -1.972 1.00 0.00 O ATOM 0 H GLU A 103 -3.483 13.260 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.635 15.003 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.810 16.083 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.122 15.825 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.279 17.281 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.606 17.304 -2.114 1.00 0.00 H new ATOM 1680 N TRP A 104 0.150 14.860 -0.663 1.00 0.00 N ATOM 1681 CA TRP A 104 1.250 14.516 0.242 1.00 0.00 C ATOM 1682 C TRP A 104 0.899 14.898 1.680 1.00 0.00 C ATOM 1683 O TRP A 104 0.899 16.076 2.036 1.00 0.00 O ATOM 1684 CB TRP A 104 2.565 15.210 -0.178 1.00 0.00 C ATOM 1685 CG TRP A 104 2.432 16.130 -1.357 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.422 15.775 -2.675 1.00 0.00 C ATOM 1687 CD2 TRP A 104 2.285 17.554 -1.322 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.281 16.892 -3.462 1.00 0.00 N ATOM 1689 CE2 TRP A 104 2.196 17.997 -2.656 1.00 0.00 C ATOM 1690 CE3 TRP A 104 2.222 18.500 -0.294 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 2.045 19.341 -2.986 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 2.073 19.834 -0.624 1.00 0.00 C ATOM 1693 CH2 TRP A 104 1.986 20.243 -1.960 1.00 0.00 C ATOM 0 H TRP A 104 0.394 15.531 -1.391 1.00 0.00 H new ATOM 0 HA TRP A 104 1.399 13.438 0.183 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.948 15.778 0.669 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.307 14.446 -0.411 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.512 14.764 -3.045 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.245 16.898 -4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 104 2.289 18.194 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.977 19.660 -4.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 2.023 20.573 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.870 21.293 -2.185 1.00 0.00 H new ATOM 1704 N MET A 105 0.606 13.891 2.502 1.00 0.00 N ATOM 1705 CA MET A 105 0.259 14.121 3.902 1.00 0.00 C ATOM 1706 C MET A 105 1.229 13.403 4.839 1.00 0.00 C ATOM 1707 O MET A 105 1.848 12.410 4.463 1.00 0.00 O ATOM 1708 CB MET A 105 -1.182 13.677 4.178 1.00 0.00 C ATOM 1709 CG MET A 105 -1.351 12.172 4.326 1.00 0.00 C ATOM 1710 SD MET A 105 -1.670 11.675 6.031 1.00 0.00 S ATOM 1711 CE MET A 105 -3.391 12.139 6.203 1.00 0.00 C ATOM 0 H MET A 105 0.602 12.910 2.222 1.00 0.00 H new ATOM 0 HA MET A 105 0.338 15.191 4.095 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.532 14.162 5.089 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.820 14.025 3.366 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.174 11.838 3.694 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.451 11.672 3.968 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.804 11.678 7.100 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.469 13.223 6.283 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.949 11.798 5.331 1.00 0.00 H new ATOM 1721 N SER A 106 1.349 13.907 6.064 1.00 0.00 N ATOM 1722 CA SER A 106 2.240 13.306 7.053 1.00 0.00 C ATOM 1723 C SER A 106 1.657 11.998 7.584 1.00 0.00 C ATOM 1724 O SER A 106 0.491 11.940 7.974 1.00 0.00 O ATOM 1725 CB SER A 106 2.481 14.277 8.209 1.00 0.00 C ATOM 1726 OG SER A 106 1.408 14.249 9.134 1.00 0.00 O ATOM 0 H SER A 106 0.842 14.728 6.395 1.00 0.00 H new ATOM 0 HA SER A 106 3.191 13.089 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.410 14.018 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.602 15.288 7.819 1.00 0.00 H new ATOM 0 HG SER A 106 1.589 14.878 9.864 1.00 0.00 H new ATOM 1732 N LEU A 107 2.475 10.948 7.591 1.00 0.00 N ATOM 1733 CA LEU A 107 2.033 9.638 8.070 1.00 0.00 C ATOM 1734 C LEU A 107 1.951 9.594 9.595 1.00 0.00 C ATOM 1735 O LEU A 107 1.298 8.719 10.164 1.00 0.00 O ATOM 1736 CB LEU A 107 2.976 8.541 7.568 1.00 0.00 C ATOM 1737 CG LEU A 107 2.314 7.185 7.299 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.904 6.524 8.604 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.110 7.347 6.381 1.00 0.00 C ATOM 0 H LEU A 107 3.443 10.977 7.272 1.00 0.00 H new ATOM 0 HA LEU A 107 1.033 9.464 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.451 8.884 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.769 8.401 8.303 1.00 0.00 H new ATOM 0 HG LEU A 107 3.040 6.543 6.800 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.436 5.562 8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.785 6.370 9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.196 7.165 9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.655 6.373 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.381 8.008 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.431 7.776 5.432 1.00 0.00 H new ATOM 1751 N VAL A 108 2.620 10.536 10.254 1.00 0.00 N ATOM 1752 CA VAL A 108 2.627 10.600 11.714 1.00 0.00 C ATOM 1753 C VAL A 108 1.214 10.681 12.295 1.00 0.00 C ATOM 1754 O VAL A 108 1.022 10.498 13.498 1.00 0.00 O ATOM 1755 CB VAL A 108 3.440 11.808 12.215 1.00 0.00 C ATOM 1756 CG1 VAL A 108 3.621 11.742 13.724 1.00 0.00 C ATOM 1757 CG2 VAL A 108 4.786 11.876 11.510 1.00 0.00 C ATOM 0 H VAL A 108 3.166 11.268 9.799 1.00 0.00 H new ATOM 0 HA VAL A 108 3.093 9.676 12.056 1.00 0.00 H new ATOM 0 HB VAL A 108 2.887 12.717 11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.198 12.604 14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.644 11.748 14.208 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.151 10.826 13.987 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.346 12.736 11.877 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.348 10.964 11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.630 11.977 10.436 1.00 0.00 H new ATOM 1767 N GLY A 109 0.226 10.954 11.446 1.00 0.00 N ATOM 1768 CA GLY A 109 -1.145 11.050 11.909 1.00 0.00 C ATOM 1769 C GLY A 109 -2.100 10.280 11.021 1.00 0.00 C ATOM 1770 O GLY A 109 -3.108 10.816 10.562 1.00 0.00 O ATOM 0 H GLY A 109 0.352 11.110 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.211 10.669 12.928 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.444 12.098 11.940 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.771 9.019 10.778 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.591 8.155 9.936 1.00 0.00 C ATOM 1776 C LEU A 110 -3.980 7.967 10.539 1.00 0.00 C ATOM 1777 O LEU A 110 -4.133 7.901 11.759 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.905 6.799 9.769 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.269 6.029 8.500 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.154 6.923 7.273 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -1.376 4.808 8.360 1.00 0.00 C ATOM 0 H LEU A 110 -0.937 8.568 11.154 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.705 8.627 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.826 6.953 9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.149 6.179 10.632 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.305 5.699 8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.418 6.353 6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.831 7.771 7.376 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.130 7.286 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.642 4.265 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.334 5.124 8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.510 4.158 9.225 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.993 7.897 9.677 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.368 7.735 10.128 1.00 0.00 C ATOM 1795 C ASN A 111 -7.024 6.503 9.511 1.00 0.00 C ATOM 1796 O ASN A 111 -7.335 6.484 8.319 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.172 8.989 9.783 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.629 9.744 11.017 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.010 9.655 12.078 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -8.716 10.494 10.883 1.00 0.00 N ATOM 0 H ASN A 111 -4.884 7.950 8.664 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.355 7.592 11.209 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.564 9.647 9.163 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.042 8.707 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.070 11.026 11.678 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -9.198 10.538 9.985 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.243 5.481 10.333 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.876 4.252 9.868 1.00 0.00 C ATOM 1809 C ALA A 112 -9.369 4.464 9.607 1.00 0.00 C ATOM 1810 O ALA A 112 -10.018 3.646 8.958 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.673 3.131 10.877 1.00 0.00 C ATOM 0 H ALA A 112 -6.992 5.480 11.322 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.403 3.969 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.152 2.222 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.606 2.950 11.010 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.115 3.416 11.832 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.917 5.561 10.124 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.334 5.860 9.942 1.00 0.00 C ATOM 1819 C ASP A 113 -11.630 6.213 8.486 1.00 0.00 C ATOM 1820 O ASP A 113 -12.679 5.853 7.953 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.797 7.005 10.861 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.679 7.629 11.676 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.614 7.921 11.095 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.872 7.825 12.895 1.00 0.00 O ATOM 0 H ASP A 113 -9.404 6.254 10.669 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.889 4.962 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.266 7.779 10.253 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.561 6.627 11.540 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.700 6.916 7.848 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.868 7.312 6.455 1.00 0.00 C ATOM 1831 C ASP A 114 -10.349 6.234 5.506 1.00 0.00 C ATOM 1832 O ASP A 114 -10.639 6.261 4.310 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.141 8.627 6.186 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.097 9.786 5.975 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.559 10.366 6.980 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -11.380 10.115 4.803 1.00 0.00 O ATOM 0 H ASP A 114 -9.824 7.222 8.272 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.935 7.445 6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.482 8.852 7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.510 8.516 5.305 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.570 5.295 6.039 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.006 4.228 5.223 1.00 0.00 C ATOM 1843 C PHE A 115 -9.835 2.946 5.338 1.00 0.00 C ATOM 1844 O PHE A 115 -10.663 2.810 6.239 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.526 4.024 5.596 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.167 2.736 6.282 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.919 2.246 7.332 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.043 2.033 5.883 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.561 1.076 7.970 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.678 0.868 6.518 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.437 0.388 7.563 1.00 0.00 C ATOM 0 H PHE A 115 -9.318 5.253 7.026 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.045 4.513 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.933 4.099 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.223 4.848 6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.797 2.785 7.657 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.445 2.403 5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.160 0.700 8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.798 0.331 6.198 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.152 -0.526 8.063 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.639 1.997 4.404 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.390 0.736 4.383 1.00 0.00 C ATOM 1863 C PRO A 116 -10.140 -0.131 5.615 1.00 0.00 C ATOM 1864 O PRO A 116 -8.998 -0.314 6.035 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.876 0.027 3.123 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.564 0.664 2.828 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.687 2.088 3.285 1.00 0.00 C ATOM 0 HA PRO A 116 -11.465 0.918 4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.765 -1.044 3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.570 0.149 2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.756 0.154 3.352 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.336 0.614 1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.727 2.494 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.059 2.736 2.491 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.214 -0.692 6.205 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.105 -1.556 7.382 1.00 0.00 C ATOM 1877 C PRO A 117 -10.443 -2.891 7.055 1.00 0.00 C ATOM 1878 O PRO A 117 -9.991 -3.608 7.946 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.558 -1.770 7.807 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.347 -1.582 6.558 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.613 -0.541 5.760 1.00 0.00 C ATOM 0 HA PRO A 117 -10.485 -1.110 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.706 -2.766 8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.856 -1.056 8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.427 -2.516 6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.363 -1.257 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.714 -0.711 4.688 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.993 0.461 5.961 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.387 -3.218 5.766 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.779 -4.465 5.321 1.00 0.00 C ATOM 1891 C ALA A 118 -8.302 -4.502 5.670 1.00 0.00 C ATOM 1892 O ALA A 118 -7.729 -5.569 5.893 1.00 0.00 O ATOM 1893 CB ALA A 118 -9.980 -4.648 3.824 1.00 0.00 C ATOM 0 H ALA A 118 -10.755 -2.636 5.014 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.269 -5.288 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.520 -5.584 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.047 -4.674 3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.517 -3.818 3.291 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.692 -3.330 5.715 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.280 -3.212 6.034 1.00 0.00 C ATOM 1901 C ASN A 119 -6.081 -2.771 7.486 1.00 0.00 C ATOM 1902 O ASN A 119 -4.951 -2.568 7.932 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.640 -2.209 5.082 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.653 -2.855 4.132 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -4.797 -4.022 3.767 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.641 -2.097 3.724 1.00 0.00 N ATOM 0 H ASN A 119 -8.157 -2.441 5.533 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.805 -4.186 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.420 -1.711 4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.130 -1.439 5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.945 -2.478 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.560 -1.134 4.052 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.187 -2.614 8.213 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.147 -2.187 9.605 1.00 0.00 C ATOM 1915 C GLU A 120 -6.329 -3.132 10.492 1.00 0.00 C ATOM 1916 O GLU A 120 -5.723 -2.688 11.455 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.578 -2.034 10.141 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.018 -3.122 11.111 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.526 -3.258 11.189 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -11.123 -3.794 10.232 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -11.109 -2.829 12.207 1.00 0.00 O ATOM 0 H GLU A 120 -8.127 -2.779 7.854 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.640 -1.222 9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -8.663 -1.068 10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.267 -2.020 9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.586 -4.074 10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.625 -2.900 12.103 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.304 -4.446 10.215 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.553 -5.396 11.044 1.00 0.00 C ATOM 1930 C PRO A 121 -4.146 -4.930 11.395 1.00 0.00 C ATOM 1931 O PRO A 121 -3.758 -4.937 12.563 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.469 -6.623 10.152 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.730 -6.585 9.362 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.010 -5.129 9.106 1.00 0.00 C ATOM 0 HA PRO A 121 -6.041 -5.548 12.007 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.592 -6.586 9.505 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.394 -7.538 10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.622 -7.133 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.549 -7.050 9.910 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.633 -4.812 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.079 -4.917 9.118 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.382 -4.521 10.389 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.021 -4.051 10.618 1.00 0.00 C ATOM 1944 C VAL A 122 -2.029 -2.613 11.121 1.00 0.00 C ATOM 1945 O VAL A 122 -1.454 -2.299 12.162 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.153 -4.129 9.337 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.046 -5.039 9.554 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.960 -4.587 8.126 1.00 0.00 C ATOM 0 H VAL A 122 -3.679 -4.505 9.413 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.585 -4.708 11.370 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.795 -3.121 9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.642 -5.079 8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.656 -4.649 10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.299 -6.042 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.312 -4.627 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.373 -5.577 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.773 -3.884 7.943 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.685 -1.744 10.358 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.781 -0.330 10.691 1.00 0.00 C ATOM 1960 C ILE A 123 -3.390 -0.126 12.068 1.00 0.00 C ATOM 1961 O ILE A 123 -3.086 0.839 12.745 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.613 0.431 9.639 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.868 0.456 8.298 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.917 1.846 10.113 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -2.410 1.838 7.881 1.00 0.00 C ATOM 0 H ILE A 123 -3.163 -2.001 9.494 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.766 0.069 10.696 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.561 -0.088 9.502 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.000 -0.200 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.518 0.050 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.505 2.365 9.356 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.481 1.804 11.045 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.983 2.383 10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.892 1.776 6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.275 2.494 7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.733 2.240 8.635 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.226 -1.058 12.483 1.00 0.00 N ATOM 1978 CA ALA A 124 -4.848 -0.977 13.797 1.00 0.00 C ATOM 1979 C ALA A 124 -3.762 -0.840 14.853 1.00 0.00 C ATOM 1980 O ALA A 124 -3.838 0.000 15.750 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.707 -2.203 14.070 1.00 0.00 C ATOM 0 H ALA A 124 -4.491 -1.877 11.936 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.500 -0.104 13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.160 -2.117 15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.491 -2.273 13.316 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.086 -3.098 14.032 1.00 0.00 H new ATOM 1987 N LYS A 125 -2.766 -1.710 14.743 1.00 0.00 N ATOM 1988 CA LYS A 125 -1.666 -1.736 15.696 1.00 0.00 C ATOM 1989 C LYS A 125 -1.009 -0.366 15.814 1.00 0.00 C ATOM 1990 O LYS A 125 -0.858 0.163 16.916 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.630 -2.783 15.280 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.320 -3.800 16.367 1.00 0.00 C ATOM 1993 CD LYS A 125 0.982 -3.474 17.081 1.00 0.00 C ATOM 1994 CE LYS A 125 1.727 -4.736 17.484 1.00 0.00 C ATOM 1995 NZ LYS A 125 1.960 -5.638 16.322 1.00 0.00 N ATOM 0 H LYS A 125 -2.698 -2.408 14.002 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.071 -2.004 16.672 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.992 -3.308 14.396 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.292 -2.276 14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.136 -3.822 17.089 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.256 -4.795 15.928 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.614 -2.869 16.430 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.772 -2.875 17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.684 -4.466 17.931 1.00 0.00 H new ATOM 0 HE3 LYS A 125 1.157 -5.266 18.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.827 -6.190 16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 1.152 -6.285 16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 2.063 -5.070 15.457 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.610 0.204 14.687 1.00 0.00 N ATOM 2010 CA LEU A 126 0.046 1.515 14.684 1.00 0.00 C ATOM 2011 C LEU A 126 -0.966 2.652 14.842 1.00 0.00 C ATOM 2012 O LEU A 126 -0.768 3.567 15.638 1.00 0.00 O ATOM 2013 CB LEU A 126 0.839 1.705 13.389 1.00 0.00 C ATOM 2014 CG LEU A 126 2.323 1.340 13.479 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.013 2.168 14.552 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.487 -0.146 13.762 1.00 0.00 C ATOM 0 H LEU A 126 -0.725 -0.214 13.764 1.00 0.00 H new ATOM 0 HA LEU A 126 0.725 1.546 15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.379 1.101 12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.755 2.746 13.079 1.00 0.00 H new ATOM 0 HG LEU A 126 2.792 1.563 12.521 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.067 1.894 14.601 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.924 3.227 14.308 1.00 0.00 H new ATOM 0 HD13 LEU A 126 2.543 1.977 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.548 -0.390 13.823 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.003 -0.392 14.707 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.028 -0.722 12.959 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.029 2.592 14.052 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.075 3.615 14.061 1.00 0.00 C ATOM 2030 C LYS A 127 -3.563 3.884 15.471 1.00 0.00 C ATOM 2031 O LYS A 127 -3.768 5.031 15.865 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.252 3.169 13.206 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.499 4.026 13.368 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.688 3.200 13.833 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.935 4.056 13.990 1.00 0.00 C ATOM 2036 NZ LYS A 127 -7.840 4.965 15.165 1.00 0.00 N ATOM 0 H LYS A 127 -2.194 1.836 13.387 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.647 4.531 13.654 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.951 3.180 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.499 2.137 13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.304 4.821 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.737 4.506 12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.881 2.402 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.451 2.723 14.784 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.087 4.646 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.807 3.411 14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.735 5.482 15.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.653 4.406 16.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.065 5.643 15.018 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.730 2.816 16.232 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.174 2.937 17.609 1.00 0.00 C ATOM 2052 C ARG A 128 -3.129 3.695 18.423 1.00 0.00 C ATOM 2053 O ARG A 128 -3.369 4.074 19.569 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.417 1.553 18.207 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.827 1.582 19.671 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.788 0.918 20.563 1.00 0.00 C ATOM 2057 NE ARG A 128 -3.139 1.875 21.455 1.00 0.00 N ATOM 2058 CZ ARG A 128 -2.044 1.606 22.162 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.473 0.410 22.083 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -1.518 2.534 22.949 1.00 0.00 N ATOM 0 H ARG A 128 -3.565 1.859 15.921 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.111 3.493 17.635 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.194 1.050 17.631 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.509 0.959 18.105 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.971 2.615 19.988 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.785 1.076 19.790 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.265 0.137 21.155 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.035 0.433 19.942 1.00 0.00 H new ATOM 0 HE ARG A 128 -3.549 2.805 21.541 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.873 -0.307 21.479 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.634 0.209 22.627 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -1.953 3.455 23.013 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.679 2.327 23.491 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.965 3.924 17.808 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.875 4.646 18.459 1.00 0.00 C ATOM 2076 C LEU A 129 -0.653 4.149 19.886 1.00 0.00 C ATOM 2077 O LEU A 129 -0.730 2.950 20.155 1.00 0.00 O ATOM 2078 CB LEU A 129 -1.171 6.147 18.467 1.00 0.00 C ATOM 2079 CG LEU A 129 -1.663 6.720 17.131 1.00 0.00 C ATOM 2080 CD1 LEU A 129 -3.013 7.398 17.304 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.646 7.696 16.555 1.00 0.00 C ATOM 0 H LEU A 129 -1.756 3.618 16.858 1.00 0.00 H new ATOM 0 HA LEU A 129 0.037 4.461 17.892 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.922 6.349 19.230 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.266 6.679 18.762 1.00 0.00 H new ATOM 0 HG LEU A 129 -1.780 5.894 16.429 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.345 7.798 16.346 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -3.741 6.672 17.666 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -2.922 8.211 18.024 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.015 8.090 15.608 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.493 8.518 17.255 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.300 7.180 16.389 1.00 0.00 H new