USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 42 SER OG : rot -86:sc= 0.159 USER MOD Set 1.2: A 43 ASN : amide:sc= -0.147 K(o=0.011,f=-2.2!) USER MOD Set 2.1: A 30 ASN : amide:sc= -0.154 K(o=0.33,f=-1.8) USER MOD Set 2.2: A 31 SER OG : rot 47:sc= 0.484 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -12.2! C(o=-12!,f=-18!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.583 USER MOD Single : A 44 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.99) USER MOD Single : A 45 GLN : amide:sc= -3.47 K(o=-3.5,f=-5.8!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc=-0.00685 X(o=-0.0069,f=-0.069) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.35) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 40:sc= 0.16 USER MOD Single : A 83 THR OG1 : rot -29:sc= 0.0564 USER MOD Single : A 85 MET CE :methyl -106:sc= -0.408 (180deg=-3.08!) USER MOD Single : A 88 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.6) USER MOD Single : A 89 TYR OH : rot 90:sc= -2.42! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -4.82! C(o=-4.8!,f=-6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.049) USER MOD Single : A 122 MET CE :methyl -174:sc= -0.187 (180deg=-0.289) USER MOD Single : A 123 HIS : no HD1:sc= -0.485 K(o=-0.49,f=-1.4) USER MOD Single : A 124 LYS NZ :NH3+ 161:sc= -0.0452 (180deg=-0.327) USER MOD Single : A 127 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.675) USER MOD Single : A 130 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.442 -9.690 3.348 1.00 0.00 N ATOM 145 CA LYS A 13 -6.501 -10.782 3.126 1.00 0.00 C ATOM 146 C LYS A 13 -5.075 -10.256 3.002 1.00 0.00 C ATOM 147 O LYS A 13 -4.156 -10.772 3.637 1.00 0.00 O ATOM 148 CB LYS A 13 -6.880 -11.561 1.864 1.00 0.00 C ATOM 149 CG LYS A 13 -7.517 -10.700 0.787 1.00 0.00 C ATOM 150 CD LYS A 13 -7.207 -11.227 -0.604 1.00 0.00 C ATOM 151 CE LYS A 13 -7.996 -12.490 -0.911 1.00 0.00 C ATOM 152 NZ LYS A 13 -7.908 -12.864 -2.349 1.00 0.00 N ATOM 0 HA LYS A 13 -6.549 -11.450 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.987 -12.035 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.570 -12.360 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.597 -10.671 0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.156 -9.676 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.441 -10.462 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.140 -11.434 -0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.621 -13.310 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.041 -12.341 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.459 -13.730 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.290 -12.092 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.914 -13.032 -2.604 1.00 0.00 H new ATOM 166 N GLN A 14 -4.899 -9.225 2.182 1.00 0.00 N ATOM 167 CA GLN A 14 -3.584 -8.629 1.976 1.00 0.00 C ATOM 168 C GLN A 14 -3.314 -7.538 3.007 1.00 0.00 C ATOM 169 O GLN A 14 -2.230 -7.472 3.588 1.00 0.00 O ATOM 170 CB GLN A 14 -3.478 -8.051 0.564 1.00 0.00 C ATOM 171 CG GLN A 14 -4.489 -6.952 0.279 1.00 0.00 C ATOM 172 CD GLN A 14 -4.063 -5.608 0.836 1.00 0.00 C ATOM 173 OE1 GLN A 14 -3.026 -5.494 1.490 1.00 0.00 O ATOM 174 NE2 GLN A 14 -4.863 -4.580 0.580 1.00 0.00 N ATOM 0 H GLN A 14 -5.650 -8.785 1.650 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.835 -9.411 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.473 -7.656 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.614 -8.855 -0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.632 -6.866 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.452 -7.230 0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.713 -4.719 0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.628 -3.651 0.930 1.00 0.00 H new ATOM 183 N LEU A 15 -4.306 -6.683 3.230 1.00 0.00 N ATOM 184 CA LEU A 15 -4.176 -5.593 4.191 1.00 0.00 C ATOM 185 C LEU A 15 -3.452 -6.061 5.449 1.00 0.00 C ATOM 186 O LEU A 15 -2.458 -5.465 5.865 1.00 0.00 O ATOM 187 CB LEU A 15 -5.555 -5.042 4.557 1.00 0.00 C ATOM 188 CG LEU A 15 -6.423 -4.575 3.388 1.00 0.00 C ATOM 189 CD1 LEU A 15 -7.873 -4.435 3.823 1.00 0.00 C ATOM 190 CD2 LEU A 15 -5.902 -3.259 2.829 1.00 0.00 C ATOM 0 H LEU A 15 -5.209 -6.723 2.758 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.587 -4.801 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.099 -5.813 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.420 -4.204 5.240 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.373 -5.326 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.476 -4.102 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.242 -5.399 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.942 -3.704 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.532 -2.942 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.922 -2.499 3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.879 -3.392 2.478 1.00 0.00 H new ATOM 202 N LYS A 16 -3.956 -7.133 6.051 1.00 0.00 N ATOM 203 CA LYS A 16 -3.357 -7.684 7.261 1.00 0.00 C ATOM 204 C LYS A 16 -1.887 -8.024 7.034 1.00 0.00 C ATOM 205 O LYS A 16 -1.051 -7.831 7.917 1.00 0.00 O ATOM 206 CB LYS A 16 -4.117 -8.935 7.707 1.00 0.00 C ATOM 207 CG LYS A 16 -3.811 -10.164 6.869 1.00 0.00 C ATOM 208 CD LYS A 16 -4.739 -11.318 7.211 1.00 0.00 C ATOM 209 CE LYS A 16 -4.393 -11.931 8.559 1.00 0.00 C ATOM 210 NZ LYS A 16 -5.514 -12.749 9.100 1.00 0.00 N ATOM 0 H LYS A 16 -4.778 -7.638 5.720 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.421 -6.929 8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.873 -9.146 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.187 -8.734 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.909 -9.918 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.777 -10.467 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.770 -10.965 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.673 -12.081 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.505 -12.554 8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.147 -11.139 9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.239 -13.150 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.355 -12.149 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.732 -13.521 8.438 1.00 0.00 H new ATOM 224 N VAL A 17 -1.578 -8.529 5.844 1.00 0.00 N ATOM 225 CA VAL A 17 -0.209 -8.893 5.500 1.00 0.00 C ATOM 226 C VAL A 17 0.686 -7.661 5.431 1.00 0.00 C ATOM 227 O VAL A 17 1.798 -7.658 5.960 1.00 0.00 O ATOM 228 CB VAL A 17 -0.147 -9.635 4.152 1.00 0.00 C ATOM 229 CG1 VAL A 17 1.283 -9.690 3.637 1.00 0.00 C ATOM 230 CG2 VAL A 17 -0.728 -11.035 4.287 1.00 0.00 C ATOM 0 H VAL A 17 -2.258 -8.695 5.102 1.00 0.00 H new ATOM 0 HA VAL A 17 0.150 -9.556 6.288 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.748 -9.085 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.306 -10.218 2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.659 -8.676 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.909 -10.215 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.676 -11.545 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.157 -11.596 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.768 -10.968 4.606 1.00 0.00 H new ATOM 240 N LEU A 18 0.195 -6.615 4.775 1.00 0.00 N ATOM 241 CA LEU A 18 0.950 -5.375 4.637 1.00 0.00 C ATOM 242 C LEU A 18 1.220 -4.747 6.001 1.00 0.00 C ATOM 243 O LEU A 18 2.361 -4.417 6.329 1.00 0.00 O ATOM 244 CB LEU A 18 0.189 -4.388 3.751 1.00 0.00 C ATOM 245 CG LEU A 18 0.425 -4.517 2.245 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.464 -3.550 1.480 1.00 0.00 C ATOM 247 CD2 LEU A 18 1.890 -4.275 1.913 1.00 0.00 C ATOM 0 H LEU A 18 -0.723 -6.601 4.330 1.00 0.00 H new ATOM 0 HA LEU A 18 1.906 -5.611 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.877 -4.506 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.457 -3.376 4.055 1.00 0.00 H new ATOM 0 HG LEU A 18 0.167 -5.532 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.282 -3.657 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.510 -3.771 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.239 -2.529 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.040 -4.371 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.174 -3.272 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.507 -5.009 2.432 1.00 0.00 H new ATOM 259 N LEU A 19 0.166 -4.588 6.792 1.00 0.00 N ATOM 260 CA LEU A 19 0.289 -4.001 8.123 1.00 0.00 C ATOM 261 C LEU A 19 1.345 -4.734 8.944 1.00 0.00 C ATOM 262 O LEU A 19 2.334 -4.140 9.373 1.00 0.00 O ATOM 263 CB LEU A 19 -1.057 -4.044 8.847 1.00 0.00 C ATOM 264 CG LEU A 19 -2.217 -3.329 8.153 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.549 -3.907 8.605 1.00 0.00 C ATOM 266 CD2 LEU A 19 -2.161 -1.833 8.427 1.00 0.00 C ATOM 0 H LEU A 19 -0.784 -4.857 6.536 1.00 0.00 H new ATOM 0 HA LEU A 19 0.599 -2.962 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.335 -5.088 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.928 -3.607 9.837 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.124 -3.485 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.362 -3.385 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.589 -4.968 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.652 -3.783 9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.994 -1.340 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.228 -1.657 9.501 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.221 -1.429 8.051 1.00 0.00 H new ATOM 278 N SER A 20 1.129 -6.028 9.158 1.00 0.00 N ATOM 279 CA SER A 20 2.062 -6.841 9.929 1.00 0.00 C ATOM 280 C SER A 20 3.504 -6.525 9.546 1.00 0.00 C ATOM 281 O SER A 20 4.370 -6.381 10.408 1.00 0.00 O ATOM 282 CB SER A 20 1.778 -8.328 9.709 1.00 0.00 C ATOM 283 OG SER A 20 2.716 -9.135 10.400 1.00 0.00 O ATOM 0 H SER A 20 0.316 -6.536 8.808 1.00 0.00 H new ATOM 0 HA SER A 20 1.925 -6.604 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.770 -8.563 10.051 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.814 -8.554 8.643 1.00 0.00 H new ATOM 0 HG SER A 20 2.511 -10.081 10.244 1.00 0.00 H new ATOM 289 N GLY A 21 3.754 -6.419 8.245 1.00 0.00 N ATOM 290 CA GLY A 21 5.093 -6.121 7.769 1.00 0.00 C ATOM 291 C GLY A 21 5.901 -7.372 7.489 1.00 0.00 C ATOM 292 O GLY A 21 5.913 -8.303 8.294 1.00 0.00 O ATOM 0 H GLY A 21 3.054 -6.534 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.027 -5.524 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.613 -5.515 8.511 1.00 0.00 H new ATOM 296 N ALA A 22 6.576 -7.395 6.345 1.00 0.00 N ATOM 297 CA ALA A 22 7.391 -8.542 5.962 1.00 0.00 C ATOM 298 C ALA A 22 8.877 -8.210 6.040 1.00 0.00 C ATOM 299 O ALA A 22 9.258 -7.100 6.415 1.00 0.00 O ATOM 300 CB ALA A 22 7.024 -9.004 4.559 1.00 0.00 C ATOM 0 H ALA A 22 6.575 -6.633 5.667 1.00 0.00 H new ATOM 0 HA ALA A 22 7.189 -9.351 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.640 -9.861 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.972 -9.290 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.197 -8.193 3.852 1.00 0.00 H new ATOM 306 N THR A 23 9.715 -9.179 5.685 1.00 0.00 N ATOM 307 CA THR A 23 11.159 -8.991 5.718 1.00 0.00 C ATOM 308 C THR A 23 11.731 -8.881 4.309 1.00 0.00 C ATOM 309 O THR A 23 11.209 -9.480 3.368 1.00 0.00 O ATOM 310 CB THR A 23 11.860 -10.147 6.455 1.00 0.00 C ATOM 311 OG1 THR A 23 11.174 -10.435 7.679 1.00 0.00 O ATOM 312 CG2 THR A 23 13.311 -9.799 6.752 1.00 0.00 C ATOM 0 H THR A 23 9.417 -10.103 5.371 1.00 0.00 H new ATOM 0 HA THR A 23 11.344 -8.062 6.257 1.00 0.00 H new ATOM 0 HB THR A 23 11.838 -11.026 5.810 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.625 -11.172 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.785 -10.631 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.838 -9.608 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.351 -8.908 7.379 1.00 0.00 H new ATOM 320 N PHE A 24 12.807 -8.114 4.170 1.00 0.00 N ATOM 321 CA PHE A 24 13.450 -7.926 2.875 1.00 0.00 C ATOM 322 C PHE A 24 14.909 -7.512 3.046 1.00 0.00 C ATOM 323 O PHE A 24 15.345 -7.176 4.148 1.00 0.00 O ATOM 324 CB PHE A 24 12.702 -6.869 2.059 1.00 0.00 C ATOM 325 CG PHE A 24 11.225 -7.126 1.956 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.730 -8.037 1.037 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.334 -6.457 2.778 1.00 0.00 C ATOM 328 CE1 PHE A 24 9.372 -8.275 0.940 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.974 -6.691 2.686 1.00 0.00 C ATOM 330 CZ PHE A 24 8.493 -7.602 1.766 1.00 0.00 C ATOM 0 H PHE A 24 13.252 -7.612 4.939 1.00 0.00 H new ATOM 0 HA PHE A 24 13.420 -8.876 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.862 -5.891 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.127 -6.828 1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.413 -8.567 0.389 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.705 -5.744 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.998 -8.987 0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.289 -6.162 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.432 -7.788 1.693 1.00 0.00 H new ATOM 340 N LEU A 25 15.658 -7.541 1.950 1.00 0.00 N ATOM 341 CA LEU A 25 17.069 -7.170 1.978 1.00 0.00 C ATOM 342 C LEU A 25 17.287 -5.809 1.325 1.00 0.00 C ATOM 343 O LEU A 25 17.269 -5.685 0.101 1.00 0.00 O ATOM 344 CB LEU A 25 17.909 -8.231 1.264 1.00 0.00 C ATOM 345 CG LEU A 25 18.207 -9.501 2.063 1.00 0.00 C ATOM 346 CD1 LEU A 25 18.792 -10.575 1.159 1.00 0.00 C ATOM 347 CD2 LEU A 25 19.154 -9.197 3.215 1.00 0.00 C ATOM 0 H LEU A 25 15.313 -7.817 1.031 1.00 0.00 H new ATOM 0 HA LEU A 25 17.383 -7.107 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.395 -8.516 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.857 -7.779 0.971 1.00 0.00 H new ATOM 0 HG LEU A 25 17.271 -9.874 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.998 -11.471 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.080 -10.813 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.718 -10.211 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.355 -10.112 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.089 -8.799 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.697 -8.462 3.877 1.00 0.00 H new ATOM 359 N VAL A 26 17.496 -4.789 2.152 1.00 0.00 N ATOM 360 CA VAL A 26 17.721 -3.437 1.656 1.00 0.00 C ATOM 361 C VAL A 26 19.209 -3.155 1.485 1.00 0.00 C ATOM 362 O VAL A 26 20.017 -3.465 2.361 1.00 0.00 O ATOM 363 CB VAL A 26 17.116 -2.383 2.603 1.00 0.00 C ATOM 364 CG1 VAL A 26 17.400 -0.979 2.091 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.620 -2.609 2.765 1.00 0.00 C ATOM 0 H VAL A 26 17.514 -4.874 3.168 1.00 0.00 H new ATOM 0 HA VAL A 26 17.227 -3.370 0.687 1.00 0.00 H new ATOM 0 HB VAL A 26 17.584 -2.488 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.965 -0.248 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.477 -0.824 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.961 -0.857 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.209 -1.856 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.133 -2.532 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.445 -3.601 3.181 1.00 0.00 H new ATOM 375 N THR A 27 19.568 -2.564 0.349 1.00 0.00 N ATOM 376 CA THR A 27 20.959 -2.240 0.062 1.00 0.00 C ATOM 377 C THR A 27 21.152 -0.737 -0.102 1.00 0.00 C ATOM 378 O THR A 27 20.539 -0.113 -0.969 1.00 0.00 O ATOM 379 CB THR A 27 21.449 -2.951 -1.214 1.00 0.00 C ATOM 380 OG1 THR A 27 21.041 -4.324 -1.197 1.00 0.00 O ATOM 381 CG2 THR A 27 22.964 -2.869 -1.331 1.00 0.00 C ATOM 0 H THR A 27 18.913 -2.300 -0.387 1.00 0.00 H new ATOM 0 HA THR A 27 21.546 -2.588 0.912 1.00 0.00 H new ATOM 0 HB THR A 27 21.006 -2.451 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.355 -4.769 -2.012 1.00 0.00 H new ATOM 0 HG21 THR A 27 23.287 -3.378 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.270 -1.824 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.422 -3.347 -0.465 1.00 0.00 H new ATOM 389 N PHE A 28 22.007 -0.160 0.735 1.00 0.00 N ATOM 390 CA PHE A 28 22.280 1.272 0.682 1.00 0.00 C ATOM 391 C PHE A 28 23.447 1.569 -0.255 1.00 0.00 C ATOM 392 O PHE A 28 24.428 0.828 -0.298 1.00 0.00 O ATOM 393 CB PHE A 28 22.588 1.806 2.083 1.00 0.00 C ATOM 394 CG PHE A 28 21.387 1.855 2.983 1.00 0.00 C ATOM 395 CD1 PHE A 28 20.406 2.817 2.799 1.00 0.00 C ATOM 396 CD2 PHE A 28 21.237 0.940 4.013 1.00 0.00 C ATOM 397 CE1 PHE A 28 19.300 2.865 3.626 1.00 0.00 C ATOM 398 CE2 PHE A 28 20.133 0.984 4.843 1.00 0.00 C ATOM 399 CZ PHE A 28 19.163 1.947 4.649 1.00 0.00 C ATOM 0 H PHE A 28 22.523 -0.661 1.458 1.00 0.00 H new ATOM 0 HA PHE A 28 21.391 1.772 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 28 23.351 1.178 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 28 23.009 2.808 1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 28 20.507 3.537 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 28 21.992 0.184 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 28 18.543 3.620 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.029 0.266 5.643 1.00 0.00 H new ATOM 0 HZ PHE A 28 18.299 1.983 5.296 1.00 0.00 H new ATOM 409 N GLY A 29 23.331 2.660 -1.006 1.00 0.00 N ATOM 410 CA GLY A 29 24.382 3.037 -1.934 1.00 0.00 C ATOM 411 C GLY A 29 25.768 2.782 -1.375 1.00 0.00 C ATOM 412 O GLY A 29 26.652 2.305 -2.084 1.00 0.00 O ATOM 0 H GLY A 29 22.529 3.289 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.260 2.479 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 29 24.282 4.094 -2.181 1.00 0.00 H new ATOM 416 N ASN A 30 25.957 3.102 -0.099 1.00 0.00 N ATOM 417 CA ASN A 30 27.246 2.907 0.555 1.00 0.00 C ATOM 418 C ASN A 30 27.457 1.439 0.914 1.00 0.00 C ATOM 419 O ASN A 30 28.507 0.863 0.626 1.00 0.00 O ATOM 420 CB ASN A 30 27.339 3.770 1.814 1.00 0.00 C ATOM 421 CG ASN A 30 26.054 3.758 2.619 1.00 0.00 C ATOM 422 OD1 ASN A 30 25.825 2.862 3.431 1.00 0.00 O ATOM 423 ND2 ASN A 30 25.207 4.756 2.396 1.00 0.00 N ATOM 0 H ASN A 30 25.234 3.497 0.503 1.00 0.00 H new ATOM 0 HA ASN A 30 28.028 3.209 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 30 28.158 3.412 2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 30 27.578 4.795 1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.326 4.801 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 30 25.438 5.478 1.713 1.00 0.00 H new ATOM 430 N SER A 31 26.453 0.839 1.544 1.00 0.00 N ATOM 431 CA SER A 31 26.529 -0.561 1.946 1.00 0.00 C ATOM 432 C SER A 31 26.332 -1.482 0.745 1.00 0.00 C ATOM 433 O SER A 31 25.205 -1.731 0.319 1.00 0.00 O ATOM 434 CB SER A 31 25.477 -0.865 3.014 1.00 0.00 C ATOM 435 OG SER A 31 25.521 0.090 4.060 1.00 0.00 O ATOM 0 H SER A 31 25.577 1.300 1.787 1.00 0.00 H new ATOM 0 HA SER A 31 27.520 -0.741 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 31 24.485 -0.868 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 25.645 -1.862 3.421 1.00 0.00 H new ATOM 0 HG SER A 31 25.565 0.991 3.678 1.00 0.00 H new ATOM 441 N GLU A 32 27.438 -1.984 0.205 1.00 0.00 N ATOM 442 CA GLU A 32 27.388 -2.877 -0.947 1.00 0.00 C ATOM 443 C GLU A 32 26.699 -4.190 -0.587 1.00 0.00 C ATOM 444 O GLU A 32 26.171 -4.885 -1.455 1.00 0.00 O ATOM 445 CB GLU A 32 28.800 -3.154 -1.467 1.00 0.00 C ATOM 446 CG GLU A 32 29.658 -1.907 -1.593 1.00 0.00 C ATOM 447 CD GLU A 32 31.043 -2.204 -2.134 1.00 0.00 C ATOM 448 OE1 GLU A 32 31.893 -2.689 -1.358 1.00 0.00 O ATOM 449 OE2 GLU A 32 31.277 -1.952 -3.335 1.00 0.00 O ATOM 0 H GLU A 32 28.379 -1.788 0.546 1.00 0.00 H new ATOM 0 HA GLU A 32 26.810 -2.387 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 32 29.293 -3.858 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 32 28.731 -3.637 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 32 29.161 -1.193 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 32 29.748 -1.432 -0.616 1.00 0.00 H new ATOM 456 N LYS A 33 26.709 -4.524 0.699 1.00 0.00 N ATOM 457 CA LYS A 33 26.086 -5.753 1.176 1.00 0.00 C ATOM 458 C LYS A 33 24.674 -5.484 1.687 1.00 0.00 C ATOM 459 O LYS A 33 24.423 -4.518 2.409 1.00 0.00 O ATOM 460 CB LYS A 33 26.931 -6.380 2.286 1.00 0.00 C ATOM 461 CG LYS A 33 26.132 -7.248 3.243 1.00 0.00 C ATOM 462 CD LYS A 33 27.037 -8.139 4.077 1.00 0.00 C ATOM 463 CE LYS A 33 27.497 -9.357 3.291 1.00 0.00 C ATOM 464 NZ LYS A 33 27.768 -10.521 4.180 1.00 0.00 N ATOM 0 H LYS A 33 27.142 -3.960 1.430 1.00 0.00 H new ATOM 0 HA LYS A 33 26.024 -6.448 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.719 -6.982 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.420 -5.586 2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.538 -6.614 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.433 -7.865 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.905 -7.569 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.507 -8.462 4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.734 -9.627 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 33 28.399 -9.109 2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 28.079 -11.331 3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 28.514 -10.272 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.900 -10.774 4.695 1.00 0.00 H new ATOM 478 N PRO A 34 23.730 -6.357 1.307 1.00 0.00 N ATOM 479 CA PRO A 34 22.328 -6.235 1.718 1.00 0.00 C ATOM 480 C PRO A 34 22.132 -6.520 3.204 1.00 0.00 C ATOM 481 O PRO A 34 22.858 -7.321 3.792 1.00 0.00 O ATOM 482 CB PRO A 34 21.617 -7.295 0.873 1.00 0.00 C ATOM 483 CG PRO A 34 22.671 -8.301 0.562 1.00 0.00 C ATOM 484 CD PRO A 34 23.958 -7.531 0.448 1.00 0.00 C ATOM 0 HA PRO A 34 21.947 -5.225 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.788 -7.746 1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 34 21.202 -6.863 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.735 -9.054 1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 34 22.447 -8.826 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.810 -8.119 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.163 -7.241 -0.583 1.00 0.00 H new ATOM 492 N GLU A 35 21.147 -5.858 3.804 1.00 0.00 N ATOM 493 CA GLU A 35 20.858 -6.041 5.221 1.00 0.00 C ATOM 494 C GLU A 35 19.412 -6.482 5.429 1.00 0.00 C ATOM 495 O GLU A 35 18.511 -6.059 4.703 1.00 0.00 O ATOM 496 CB GLU A 35 21.123 -4.745 5.990 1.00 0.00 C ATOM 497 CG GLU A 35 20.971 -4.888 7.495 1.00 0.00 C ATOM 498 CD GLU A 35 22.075 -5.723 8.116 1.00 0.00 C ATOM 499 OE1 GLU A 35 22.024 -6.964 7.985 1.00 0.00 O ATOM 500 OE2 GLU A 35 22.988 -5.135 8.732 1.00 0.00 O ATOM 0 H GLU A 35 20.537 -5.191 3.331 1.00 0.00 H new ATOM 0 HA GLU A 35 21.516 -6.822 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 35 22.132 -4.400 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.437 -3.975 5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 20.968 -3.898 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 35 20.006 -5.344 7.717 1.00 0.00 H new ATOM 507 N THR A 36 19.196 -7.336 6.425 1.00 0.00 N ATOM 508 CA THR A 36 17.861 -7.835 6.727 1.00 0.00 C ATOM 509 C THR A 36 17.031 -6.782 7.453 1.00 0.00 C ATOM 510 O THR A 36 17.232 -6.530 8.640 1.00 0.00 O ATOM 511 CB THR A 36 17.921 -9.109 7.591 1.00 0.00 C ATOM 512 OG1 THR A 36 18.813 -10.060 7.000 1.00 0.00 O ATOM 513 CG2 THR A 36 16.539 -9.728 7.739 1.00 0.00 C ATOM 0 H THR A 36 19.929 -7.696 7.036 1.00 0.00 H new ATOM 0 HA THR A 36 17.389 -8.072 5.774 1.00 0.00 H new ATOM 0 HB THR A 36 18.287 -8.833 8.580 1.00 0.00 H new ATOM 0 HG1 THR A 36 18.847 -10.866 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 36 16.606 -10.626 8.353 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.869 -9.012 8.215 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.150 -9.990 6.755 1.00 0.00 H new ATOM 521 N MET A 37 16.098 -6.171 6.731 1.00 0.00 N ATOM 522 CA MET A 37 15.236 -5.146 7.307 1.00 0.00 C ATOM 523 C MET A 37 13.772 -5.571 7.251 1.00 0.00 C ATOM 524 O MET A 37 13.436 -6.604 6.669 1.00 0.00 O ATOM 525 CB MET A 37 15.422 -3.819 6.569 1.00 0.00 C ATOM 526 CG MET A 37 16.754 -3.146 6.856 1.00 0.00 C ATOM 527 SD MET A 37 16.715 -1.369 6.553 1.00 0.00 S ATOM 528 CE MET A 37 16.123 -0.769 8.134 1.00 0.00 C ATOM 0 H MET A 37 15.920 -6.368 5.746 1.00 0.00 H new ATOM 0 HA MET A 37 15.518 -5.015 8.352 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.336 -3.994 5.497 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.615 -3.142 6.847 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.032 -3.327 7.894 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.527 -3.599 6.235 1.00 0.00 H new ATOM 0 HE1 MET A 37 16.045 0.318 8.105 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.142 -1.197 8.342 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.820 -1.062 8.919 1.00 0.00 H new ATOM 538 N THR A 38 12.903 -4.770 7.858 1.00 0.00 N ATOM 539 CA THR A 38 11.476 -5.064 7.878 1.00 0.00 C ATOM 540 C THR A 38 10.665 -3.892 7.338 1.00 0.00 C ATOM 541 O THR A 38 10.828 -2.755 7.783 1.00 0.00 O ATOM 542 CB THR A 38 10.990 -5.397 9.302 1.00 0.00 C ATOM 543 OG1 THR A 38 11.790 -6.446 9.860 1.00 0.00 O ATOM 544 CG2 THR A 38 9.528 -5.818 9.291 1.00 0.00 C ATOM 0 H THR A 38 13.163 -3.911 8.343 1.00 0.00 H new ATOM 0 HA THR A 38 11.324 -5.933 7.238 1.00 0.00 H new ATOM 0 HB THR A 38 11.088 -4.501 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.476 -6.651 10.766 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.208 -6.048 10.307 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.919 -5.006 8.894 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.409 -6.702 8.664 1.00 0.00 H new ATOM 552 N CYS A 39 9.791 -4.175 6.378 1.00 0.00 N ATOM 553 CA CYS A 39 8.954 -3.143 5.777 1.00 0.00 C ATOM 554 C CYS A 39 7.490 -3.340 6.158 1.00 0.00 C ATOM 555 O CYS A 39 7.001 -4.468 6.219 1.00 0.00 O ATOM 556 CB CYS A 39 9.104 -3.158 4.255 1.00 0.00 C ATOM 557 SG CYS A 39 10.741 -2.661 3.670 1.00 0.00 S ATOM 0 H CYS A 39 9.644 -5.111 5.999 1.00 0.00 H new ATOM 0 HA CYS A 39 9.283 -2.176 6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.889 -4.162 3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.357 -2.493 3.820 1.00 0.00 H new ATOM 0 HG CYS A 39 10.770 -2.708 2.371 1.00 0.00 H new ATOM 563 N ARG A 40 6.798 -2.235 6.415 1.00 0.00 N ATOM 564 CA ARG A 40 5.391 -2.286 6.793 1.00 0.00 C ATOM 565 C ARG A 40 4.687 -0.978 6.447 1.00 0.00 C ATOM 566 O ARG A 40 5.333 0.038 6.186 1.00 0.00 O ATOM 567 CB ARG A 40 5.253 -2.572 8.290 1.00 0.00 C ATOM 568 CG ARG A 40 5.425 -1.339 9.163 1.00 0.00 C ATOM 569 CD ARG A 40 5.726 -1.716 10.605 1.00 0.00 C ATOM 570 NE ARG A 40 6.073 -0.551 11.414 1.00 0.00 N ATOM 571 CZ ARG A 40 5.174 0.282 11.927 1.00 0.00 C ATOM 572 NH1 ARG A 40 3.881 0.079 11.716 1.00 0.00 N ATOM 573 NH2 ARG A 40 5.568 1.320 12.653 1.00 0.00 N ATOM 0 H ARG A 40 7.189 -1.294 6.368 1.00 0.00 H new ATOM 0 HA ARG A 40 4.919 -3.092 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.272 -3.007 8.479 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.994 -3.318 8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.234 -0.723 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.518 -0.735 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.858 -2.213 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.548 -2.432 10.629 1.00 0.00 H new ATOM 0 HE ARG A 40 7.060 -0.367 11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.574 -0.718 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.193 0.720 12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.562 1.479 12.818 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.877 1.959 13.046 1.00 0.00 H new ATOM 587 N LEU A 41 3.359 -1.009 6.446 1.00 0.00 N ATOM 588 CA LEU A 41 2.566 0.175 6.132 1.00 0.00 C ATOM 589 C LEU A 41 1.929 0.754 7.391 1.00 0.00 C ATOM 590 O LEU A 41 1.830 0.079 8.415 1.00 0.00 O ATOM 591 CB LEU A 41 1.481 -0.170 5.110 1.00 0.00 C ATOM 592 CG LEU A 41 1.866 -0.002 3.640 1.00 0.00 C ATOM 593 CD1 LEU A 41 0.980 -0.865 2.754 1.00 0.00 C ATOM 594 CD2 LEU A 41 1.772 1.460 3.228 1.00 0.00 C ATOM 0 H LEU A 41 2.808 -1.841 6.659 1.00 0.00 H new ATOM 0 HA LEU A 41 3.232 0.925 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.176 -1.204 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.610 0.454 5.310 1.00 0.00 H new ATOM 0 HG LEU A 41 2.898 -0.329 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.269 -0.732 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.097 -1.912 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.061 -0.569 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.050 1.561 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.750 1.813 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.449 2.055 3.841 1.00 0.00 H new ATOM 606 N SER A 42 1.496 2.008 7.306 1.00 0.00 N ATOM 607 CA SER A 42 0.870 2.679 8.439 1.00 0.00 C ATOM 608 C SER A 42 -0.533 2.132 8.686 1.00 0.00 C ATOM 609 O SER A 42 -1.049 1.338 7.901 1.00 0.00 O ATOM 610 CB SER A 42 0.805 4.188 8.193 1.00 0.00 C ATOM 611 OG SER A 42 0.732 4.901 9.416 1.00 0.00 O ATOM 0 H SER A 42 1.567 2.580 6.464 1.00 0.00 H new ATOM 0 HA SER A 42 1.477 2.488 9.324 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.685 4.507 7.634 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.065 4.423 7.579 1.00 0.00 H new ATOM 0 HG SER A 42 -0.203 4.963 9.703 1.00 0.00 H new ATOM 617 N ASN A 43 -1.144 2.564 9.785 1.00 0.00 N ATOM 618 CA ASN A 43 -2.487 2.118 10.137 1.00 0.00 C ATOM 619 C ASN A 43 -3.437 2.261 8.952 1.00 0.00 C ATOM 620 O ASN A 43 -4.238 1.370 8.674 1.00 0.00 O ATOM 621 CB ASN A 43 -3.017 2.918 11.329 1.00 0.00 C ATOM 622 CG ASN A 43 -3.034 4.411 11.061 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.985 5.045 10.949 1.00 0.00 O ATOM 624 ND2 ASN A 43 -4.230 4.979 10.957 1.00 0.00 N ATOM 0 H ASN A 43 -0.731 3.222 10.446 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.432 1.064 10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.026 2.583 11.568 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.398 2.715 12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.305 5.980 10.777 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.073 4.414 11.057 1.00 0.00 H new ATOM 631 N ASN A 44 -3.340 3.390 8.256 1.00 0.00 N ATOM 632 CA ASN A 44 -4.191 3.651 7.100 1.00 0.00 C ATOM 633 C ASN A 44 -3.416 3.458 5.800 1.00 0.00 C ATOM 634 O ASN A 44 -3.784 4.004 4.761 1.00 0.00 O ATOM 635 CB ASN A 44 -4.754 5.072 7.166 1.00 0.00 C ATOM 636 CG ASN A 44 -5.968 5.254 6.275 1.00 0.00 C ATOM 637 OD1 ASN A 44 -6.812 4.364 6.167 1.00 0.00 O ATOM 638 ND2 ASN A 44 -6.060 6.411 5.631 1.00 0.00 N ATOM 0 H ASN A 44 -2.681 4.138 8.472 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.016 2.939 7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.024 5.306 8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.980 5.781 6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.854 6.591 5.017 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.337 7.120 5.751 1.00 0.00 H new ATOM 645 N GLN A 45 -2.342 2.677 5.868 1.00 0.00 N ATOM 646 CA GLN A 45 -1.515 2.413 4.697 1.00 0.00 C ATOM 647 C GLN A 45 -1.292 3.687 3.889 1.00 0.00 C ATOM 648 O GLN A 45 -1.335 3.670 2.659 1.00 0.00 O ATOM 649 CB GLN A 45 -2.168 1.345 3.817 1.00 0.00 C ATOM 650 CG GLN A 45 -2.909 0.277 4.604 1.00 0.00 C ATOM 651 CD GLN A 45 -1.983 -0.791 5.153 1.00 0.00 C ATOM 652 OE1 GLN A 45 -1.191 -0.535 6.061 1.00 0.00 O ATOM 653 NE2 GLN A 45 -2.079 -1.996 4.605 1.00 0.00 N ATOM 0 H GLN A 45 -2.025 2.217 6.721 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.547 2.049 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.864 1.827 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.400 0.868 3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.446 0.746 5.429 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.656 -0.190 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.750 -2.163 3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.482 -2.755 4.934 1.00 0.00 H new ATOM 662 N ARG A 46 -1.052 4.791 4.590 1.00 0.00 N ATOM 663 CA ARG A 46 -0.823 6.075 3.938 1.00 0.00 C ATOM 664 C ARG A 46 0.668 6.393 3.872 1.00 0.00 C ATOM 665 O ARG A 46 1.098 7.243 3.092 1.00 0.00 O ATOM 666 CB ARG A 46 -1.561 7.188 4.683 1.00 0.00 C ATOM 667 CG ARG A 46 -3.029 7.305 4.307 1.00 0.00 C ATOM 668 CD ARG A 46 -3.547 8.719 4.518 1.00 0.00 C ATOM 669 NE ARG A 46 -4.860 8.917 3.910 1.00 0.00 N ATOM 670 CZ ARG A 46 -5.449 10.103 3.804 1.00 0.00 C ATOM 671 NH1 ARG A 46 -4.845 11.190 4.263 1.00 0.00 N ATOM 672 NH2 ARG A 46 -6.645 10.202 3.237 1.00 0.00 N ATOM 0 H ARG A 46 -1.011 4.822 5.609 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.208 6.011 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.483 7.009 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.066 8.138 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.162 7.019 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.616 6.608 4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.607 8.928 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.840 9.431 4.093 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.352 8.100 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.926 11.117 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.300 12.099 4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.112 9.367 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.097 11.113 3.156 1.00 0.00 H new ATOM 686 N TYR A 47 1.451 5.705 4.696 1.00 0.00 N ATOM 687 CA TYR A 47 2.893 5.916 4.733 1.00 0.00 C ATOM 688 C TYR A 47 3.627 4.611 5.026 1.00 0.00 C ATOM 689 O TYR A 47 3.109 3.736 5.720 1.00 0.00 O ATOM 690 CB TYR A 47 3.249 6.963 5.791 1.00 0.00 C ATOM 691 CG TYR A 47 2.590 8.304 5.561 1.00 0.00 C ATOM 692 CD1 TYR A 47 3.139 9.228 4.680 1.00 0.00 C ATOM 693 CD2 TYR A 47 1.419 8.648 6.224 1.00 0.00 C ATOM 694 CE1 TYR A 47 2.541 10.455 4.468 1.00 0.00 C ATOM 695 CE2 TYR A 47 0.813 9.872 6.017 1.00 0.00 C ATOM 696 CZ TYR A 47 1.378 10.772 5.138 1.00 0.00 C ATOM 697 OH TYR A 47 0.779 11.993 4.929 1.00 0.00 O ATOM 0 H TYR A 47 1.111 4.997 5.347 1.00 0.00 H new ATOM 0 HA TYR A 47 3.207 6.277 3.754 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.959 6.589 6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.331 7.097 5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.049 8.983 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.974 7.946 6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.982 11.162 3.781 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.098 10.123 6.540 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.031 12.058 5.476 1.00 0.00 H new ATOM 707 N LEU A 48 4.838 4.489 4.493 1.00 0.00 N ATOM 708 CA LEU A 48 5.646 3.292 4.696 1.00 0.00 C ATOM 709 C LEU A 48 6.693 3.519 5.781 1.00 0.00 C ATOM 710 O LEU A 48 7.201 4.629 5.946 1.00 0.00 O ATOM 711 CB LEU A 48 6.329 2.885 3.389 1.00 0.00 C ATOM 712 CG LEU A 48 5.432 2.233 2.337 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.128 2.202 0.986 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.039 0.827 2.769 1.00 0.00 C ATOM 0 H LEU A 48 5.282 5.204 3.917 1.00 0.00 H new ATOM 0 HA LEU A 48 4.984 2.488 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.785 3.772 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.139 2.195 3.625 1.00 0.00 H new ATOM 0 HG LEU A 48 4.525 2.830 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.474 1.734 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.358 3.220 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.052 1.629 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.400 0.378 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.936 0.221 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.499 0.875 3.714 1.00 0.00 H new ATOM 726 N PHE A 49 7.014 2.461 6.518 1.00 0.00 N ATOM 727 CA PHE A 49 8.002 2.545 7.587 1.00 0.00 C ATOM 728 C PHE A 49 8.937 1.340 7.560 1.00 0.00 C ATOM 729 O PHE A 49 8.510 0.214 7.297 1.00 0.00 O ATOM 730 CB PHE A 49 7.307 2.634 8.947 1.00 0.00 C ATOM 731 CG PHE A 49 6.645 3.960 9.197 1.00 0.00 C ATOM 732 CD1 PHE A 49 5.342 4.186 8.785 1.00 0.00 C ATOM 733 CD2 PHE A 49 7.326 4.979 9.843 1.00 0.00 C ATOM 734 CE1 PHE A 49 4.731 5.405 9.013 1.00 0.00 C ATOM 735 CE2 PHE A 49 6.721 6.199 10.073 1.00 0.00 C ATOM 736 CZ PHE A 49 5.421 6.412 9.658 1.00 0.00 C ATOM 0 H PHE A 49 6.604 1.535 6.394 1.00 0.00 H new ATOM 0 HA PHE A 49 8.594 3.446 7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.559 1.845 9.016 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.039 2.449 9.733 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.798 3.402 8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.342 4.817 10.171 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.715 5.569 8.687 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.264 6.985 10.577 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.945 7.365 9.838 1.00 0.00 H new ATOM 746 N LEU A 50 10.214 1.583 7.831 1.00 0.00 N ATOM 747 CA LEU A 50 11.212 0.518 7.837 1.00 0.00 C ATOM 748 C LEU A 50 11.635 0.177 9.262 1.00 0.00 C ATOM 749 O LEU A 50 11.459 0.977 10.181 1.00 0.00 O ATOM 750 CB LEU A 50 12.434 0.933 7.016 1.00 0.00 C ATOM 751 CG LEU A 50 12.150 1.450 5.605 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.396 2.088 5.010 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.648 0.323 4.715 1.00 0.00 C ATOM 0 H LEU A 50 10.584 2.508 8.050 1.00 0.00 H new ATOM 0 HA LEU A 50 10.764 -0.369 7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.969 1.708 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.104 0.076 6.940 1.00 0.00 H new ATOM 0 HG LEU A 50 11.372 2.211 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.175 2.450 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.711 2.923 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.196 1.349 4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.451 0.709 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.404 -0.461 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.729 -0.088 5.132 1.00 0.00 H new ATOM 765 N ASP A 51 12.194 -1.015 9.438 1.00 0.00 N ATOM 766 CA ASP A 51 12.646 -1.462 10.751 1.00 0.00 C ATOM 767 C ASP A 51 13.731 -2.526 10.619 1.00 0.00 C ATOM 768 O ASP A 51 13.501 -3.595 10.055 1.00 0.00 O ATOM 769 CB ASP A 51 11.470 -2.013 11.558 1.00 0.00 C ATOM 770 CG ASP A 51 10.177 -1.273 11.275 1.00 0.00 C ATOM 771 OD1 ASP A 51 9.918 -0.252 11.946 1.00 0.00 O ATOM 772 OD2 ASP A 51 9.424 -1.716 10.383 1.00 0.00 O ATOM 0 H ASP A 51 12.345 -1.690 8.688 1.00 0.00 H new ATOM 0 HA ASP A 51 13.066 -0.604 11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.338 -3.070 11.327 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.699 -1.945 12.621 1.00 0.00 H new ATOM 777 N GLY A 52 14.916 -2.224 11.142 1.00 0.00 N ATOM 778 CA GLY A 52 16.019 -3.164 11.071 1.00 0.00 C ATOM 779 C GLY A 52 17.304 -2.594 11.640 1.00 0.00 C ATOM 780 O GLY A 52 17.301 -1.984 12.709 1.00 0.00 O ATOM 0 H GLY A 52 15.131 -1.345 11.613 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.755 -4.071 11.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 16.181 -3.451 10.032 1.00 0.00 H new ATOM 784 N ASP A 53 18.405 -2.794 10.924 1.00 0.00 N ATOM 785 CA ASP A 53 19.703 -2.296 11.363 1.00 0.00 C ATOM 786 C ASP A 53 19.566 -0.925 12.019 1.00 0.00 C ATOM 787 O ASP A 53 20.203 -0.645 13.035 1.00 0.00 O ATOM 788 CB ASP A 53 20.669 -2.214 10.180 1.00 0.00 C ATOM 789 CG ASP A 53 20.033 -1.583 8.957 1.00 0.00 C ATOM 790 OD1 ASP A 53 19.362 -2.310 8.195 1.00 0.00 O ATOM 791 OD2 ASP A 53 20.207 -0.362 8.761 1.00 0.00 O ATOM 0 H ASP A 53 18.424 -3.297 10.037 1.00 0.00 H new ATOM 0 HA ASP A 53 20.101 -2.994 12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.546 -1.635 10.470 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.017 -3.216 9.929 1.00 0.00 H new ATOM 796 N SER A 54 18.731 -0.074 11.432 1.00 0.00 N ATOM 797 CA SER A 54 18.513 1.269 11.956 1.00 0.00 C ATOM 798 C SER A 54 17.098 1.749 11.649 1.00 0.00 C ATOM 799 O SER A 54 16.420 1.203 10.779 1.00 0.00 O ATOM 800 CB SER A 54 19.534 2.242 11.364 1.00 0.00 C ATOM 801 OG SER A 54 19.833 3.285 12.275 1.00 0.00 O ATOM 0 H SER A 54 18.194 -0.291 10.592 1.00 0.00 H new ATOM 0 HA SER A 54 18.639 1.235 13.038 1.00 0.00 H new ATOM 0 HB2 SER A 54 20.447 1.705 11.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.144 2.665 10.438 1.00 0.00 H new ATOM 0 HG SER A 54 20.489 3.892 11.873 1.00 0.00 H new ATOM 807 N HIS A 55 16.659 2.776 12.370 1.00 0.00 N ATOM 808 CA HIS A 55 15.324 3.332 12.176 1.00 0.00 C ATOM 809 C HIS A 55 15.246 4.111 10.866 1.00 0.00 C ATOM 810 O HIS A 55 16.055 5.005 10.616 1.00 0.00 O ATOM 811 CB HIS A 55 14.952 4.241 13.347 1.00 0.00 C ATOM 812 CG HIS A 55 14.836 3.518 14.653 1.00 0.00 C ATOM 813 ND1 HIS A 55 14.304 2.250 14.767 1.00 0.00 N ATOM 814 CD2 HIS A 55 15.188 3.890 15.906 1.00 0.00 C ATOM 815 CE1 HIS A 55 14.333 1.876 16.034 1.00 0.00 C ATOM 816 NE2 HIS A 55 14.865 2.853 16.746 1.00 0.00 N ATOM 0 H HIS A 55 17.208 3.240 13.094 1.00 0.00 H new ATOM 0 HA HIS A 55 14.615 2.505 12.129 1.00 0.00 H new ATOM 0 HB2 HIS A 55 15.703 5.025 13.441 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.004 4.733 13.128 1.00 0.00 H new ATOM 0 HD2 HIS A 55 15.639 4.829 16.192 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.981 0.931 16.422 1.00 0.00 H new ATOM 0 HE2 HIS A 55 15.012 2.839 17.755 1.00 0.00 H new ATOM 824 N TYR A 56 14.270 3.766 10.035 1.00 0.00 N ATOM 825 CA TYR A 56 14.088 4.431 8.751 1.00 0.00 C ATOM 826 C TYR A 56 12.618 4.437 8.343 1.00 0.00 C ATOM 827 O TYR A 56 11.842 3.581 8.767 1.00 0.00 O ATOM 828 CB TYR A 56 14.924 3.739 7.672 1.00 0.00 C ATOM 829 CG TYR A 56 16.365 4.197 7.637 1.00 0.00 C ATOM 830 CD1 TYR A 56 16.690 5.505 7.297 1.00 0.00 C ATOM 831 CD2 TYR A 56 17.400 3.322 7.942 1.00 0.00 C ATOM 832 CE1 TYR A 56 18.005 5.927 7.263 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.718 3.737 7.912 1.00 0.00 C ATOM 834 CZ TYR A 56 19.015 5.040 7.571 1.00 0.00 C ATOM 835 OH TYR A 56 20.326 5.456 7.538 1.00 0.00 O ATOM 0 H TYR A 56 13.592 3.029 10.228 1.00 0.00 H new ATOM 0 HA TYR A 56 14.422 5.463 8.855 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.898 2.662 7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.469 3.922 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.902 6.203 7.056 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.171 2.300 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.241 6.947 6.996 1.00 0.00 H new ATOM 0 HE2 TYR A 56 19.511 3.045 8.154 1.00 0.00 H new ATOM 0 HH TYR A 56 20.912 4.710 7.782 1.00 0.00 H new ATOM 845 N GLU A 57 12.243 5.410 7.518 1.00 0.00 N ATOM 846 CA GLU A 57 10.866 5.529 7.054 1.00 0.00 C ATOM 847 C GLU A 57 10.802 6.287 5.731 1.00 0.00 C ATOM 848 O GLU A 57 11.477 7.302 5.552 1.00 0.00 O ATOM 849 CB GLU A 57 10.010 6.240 8.104 1.00 0.00 C ATOM 850 CG GLU A 57 10.490 7.644 8.432 1.00 0.00 C ATOM 851 CD GLU A 57 11.901 7.663 8.986 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.215 6.806 9.839 1.00 0.00 O ATOM 853 OE2 GLU A 57 12.691 8.535 8.569 1.00 0.00 O ATOM 0 H GLU A 57 12.873 6.127 7.158 1.00 0.00 H new ATOM 0 HA GLU A 57 10.474 4.524 6.897 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.981 6.291 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.002 5.645 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.449 8.258 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.813 8.095 9.157 1.00 0.00 H new ATOM 860 N ILE A 58 9.987 5.787 4.808 1.00 0.00 N ATOM 861 CA ILE A 58 9.834 6.417 3.503 1.00 0.00 C ATOM 862 C ILE A 58 8.386 6.825 3.255 1.00 0.00 C ATOM 863 O ILE A 58 7.520 5.977 3.041 1.00 0.00 O ATOM 864 CB ILE A 58 10.293 5.481 2.369 1.00 0.00 C ATOM 865 CG1 ILE A 58 11.693 4.939 2.661 1.00 0.00 C ATOM 866 CG2 ILE A 58 10.270 6.213 1.036 1.00 0.00 C ATOM 867 CD1 ILE A 58 11.950 3.574 2.062 1.00 0.00 C ATOM 0 H ILE A 58 9.423 4.948 4.940 1.00 0.00 H new ATOM 0 HA ILE A 58 10.464 7.307 3.507 1.00 0.00 H new ATOM 0 HB ILE A 58 9.603 4.639 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.433 5.641 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 58 11.835 4.886 3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.597 5.538 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.256 6.555 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.940 7.071 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.962 3.253 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.233 2.859 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.840 3.626 0.979 1.00 0.00 H new ATOM 879 N GLU A 59 8.131 8.129 3.285 1.00 0.00 N ATOM 880 CA GLU A 59 6.786 8.649 3.063 1.00 0.00 C ATOM 881 C GLU A 59 6.339 8.403 1.625 1.00 0.00 C ATOM 882 O GLU A 59 7.086 8.656 0.679 1.00 0.00 O ATOM 883 CB GLU A 59 6.737 10.146 3.375 1.00 0.00 C ATOM 884 CG GLU A 59 7.087 10.479 4.816 1.00 0.00 C ATOM 885 CD GLU A 59 6.719 9.366 5.778 1.00 0.00 C ATOM 886 OE1 GLU A 59 5.544 8.943 5.773 1.00 0.00 O ATOM 887 OE2 GLU A 59 7.605 8.919 6.535 1.00 0.00 O ATOM 0 H GLU A 59 8.837 8.844 3.461 1.00 0.00 H new ATOM 0 HA GLU A 59 6.105 8.123 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.426 10.669 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.737 10.522 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.156 10.679 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.571 11.393 5.109 1.00 0.00 H new ATOM 894 N ILE A 60 5.116 7.909 1.468 1.00 0.00 N ATOM 895 CA ILE A 60 4.568 7.629 0.147 1.00 0.00 C ATOM 896 C ILE A 60 4.412 8.910 -0.666 1.00 0.00 C ATOM 897 O ILE A 60 4.183 8.867 -1.875 1.00 0.00 O ATOM 898 CB ILE A 60 3.202 6.924 0.241 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.356 5.551 0.898 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.580 6.789 -1.141 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.055 4.788 1.015 1.00 0.00 C ATOM 0 H ILE A 60 4.485 7.694 2.240 1.00 0.00 H new ATOM 0 HA ILE A 60 5.275 6.967 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 60 2.539 7.529 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.065 4.958 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.784 5.679 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.615 6.289 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.440 7.779 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.239 6.202 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.240 3.824 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.350 5.361 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.636 4.629 0.021 1.00 0.00 H new ATOM 913 N VAL A 61 4.539 10.050 0.006 1.00 0.00 N ATOM 914 CA VAL A 61 4.416 11.344 -0.654 1.00 0.00 C ATOM 915 C VAL A 61 5.676 11.681 -1.443 1.00 0.00 C ATOM 916 O VAL A 61 5.611 12.318 -2.495 1.00 0.00 O ATOM 917 CB VAL A 61 4.144 12.469 0.363 1.00 0.00 C ATOM 918 CG1 VAL A 61 3.017 12.075 1.306 1.00 0.00 C ATOM 919 CG2 VAL A 61 5.408 12.801 1.140 1.00 0.00 C ATOM 0 H VAL A 61 4.727 10.103 1.007 1.00 0.00 H new ATOM 0 HA VAL A 61 3.571 11.271 -1.339 1.00 0.00 H new ATOM 0 HB VAL A 61 3.835 13.361 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.839 12.882 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.109 11.891 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.294 11.170 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.198 13.598 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.749 11.915 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.184 13.129 0.449 1.00 0.00 H new ATOM 929 N HIS A 62 6.823 11.250 -0.928 1.00 0.00 N ATOM 930 CA HIS A 62 8.100 11.505 -1.586 1.00 0.00 C ATOM 931 C HIS A 62 8.339 10.506 -2.714 1.00 0.00 C ATOM 932 O HIS A 62 9.032 10.808 -3.686 1.00 0.00 O ATOM 933 CB HIS A 62 9.243 11.432 -0.573 1.00 0.00 C ATOM 934 CG HIS A 62 9.467 12.712 0.171 1.00 0.00 C ATOM 935 ND1 HIS A 62 9.477 13.947 -0.442 1.00 0.00 N ATOM 936 CD2 HIS A 62 9.688 12.945 1.486 1.00 0.00 C ATOM 937 CE1 HIS A 62 9.697 14.884 0.463 1.00 0.00 C ATOM 938 NE2 HIS A 62 9.828 14.302 1.641 1.00 0.00 N ATOM 0 H HIS A 62 6.895 10.723 -0.058 1.00 0.00 H new ATOM 0 HA HIS A 62 8.067 12.507 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.033 10.637 0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.161 11.158 -1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.744 12.202 2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.759 15.945 0.272 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.005 14.783 2.523 1.00 0.00 H new ATOM 946 N ILE A 63 7.763 9.317 -2.577 1.00 0.00 N ATOM 947 CA ILE A 63 7.914 8.275 -3.584 1.00 0.00 C ATOM 948 C ILE A 63 7.299 8.701 -4.913 1.00 0.00 C ATOM 949 O ILE A 63 6.188 9.231 -4.953 1.00 0.00 O ATOM 950 CB ILE A 63 7.263 6.955 -3.131 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.760 6.568 -1.736 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.560 5.847 -4.131 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.227 5.238 -1.252 1.00 0.00 C ATOM 0 H ILE A 63 7.187 9.051 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 63 8.984 8.117 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 63 6.183 7.097 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.849 6.532 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.472 7.345 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.093 4.920 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.162 6.122 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.638 5.704 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.621 5.028 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.138 5.275 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.537 4.450 -1.938 1.00 0.00 H new ATOM 965 N SER A 64 8.028 8.466 -5.999 1.00 0.00 N ATOM 966 CA SER A 64 7.555 8.828 -7.330 1.00 0.00 C ATOM 967 C SER A 64 7.273 7.581 -8.164 1.00 0.00 C ATOM 968 O SER A 64 6.170 7.402 -8.681 1.00 0.00 O ATOM 969 CB SER A 64 8.587 9.706 -8.040 1.00 0.00 C ATOM 970 OG SER A 64 8.894 10.856 -7.270 1.00 0.00 O ATOM 0 H SER A 64 8.948 8.027 -5.983 1.00 0.00 H new ATOM 0 HA SER A 64 6.627 9.388 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.496 9.132 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.203 10.009 -9.014 1.00 0.00 H new ATOM 0 HG SER A 64 9.557 11.400 -7.744 1.00 0.00 H new ATOM 976 N THR A 65 8.278 6.721 -8.290 1.00 0.00 N ATOM 977 CA THR A 65 8.141 5.492 -9.061 1.00 0.00 C ATOM 978 C THR A 65 8.003 4.281 -8.145 1.00 0.00 C ATOM 979 O THR A 65 8.657 4.199 -7.105 1.00 0.00 O ATOM 980 CB THR A 65 9.344 5.278 -9.998 1.00 0.00 C ATOM 981 OG1 THR A 65 9.427 6.352 -10.942 1.00 0.00 O ATOM 982 CG2 THR A 65 9.226 3.954 -10.738 1.00 0.00 C ATOM 0 H THR A 65 9.197 6.853 -7.867 1.00 0.00 H new ATOM 0 HA THR A 65 7.237 5.596 -9.661 1.00 0.00 H new ATOM 0 HB THR A 65 10.249 5.257 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.196 6.209 -11.533 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.087 3.826 -11.394 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.193 3.136 -10.018 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.313 3.950 -11.333 1.00 0.00 H new ATOM 990 N VAL A 66 7.150 3.341 -8.538 1.00 0.00 N ATOM 991 CA VAL A 66 6.928 2.132 -7.753 1.00 0.00 C ATOM 992 C VAL A 66 6.729 0.920 -8.655 1.00 0.00 C ATOM 993 O VAL A 66 5.711 0.802 -9.336 1.00 0.00 O ATOM 994 CB VAL A 66 5.704 2.279 -6.831 1.00 0.00 C ATOM 995 CG1 VAL A 66 5.422 0.972 -6.105 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.916 3.414 -5.840 1.00 0.00 C ATOM 0 H VAL A 66 6.601 3.393 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 66 7.818 1.983 -7.142 1.00 0.00 H new ATOM 0 HB VAL A 66 4.836 2.521 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.553 1.095 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.223 0.186 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.287 0.697 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.041 3.503 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.795 3.205 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.064 4.348 -6.382 1.00 0.00 H new ATOM 1006 N GLN A 67 7.708 0.021 -8.654 1.00 0.00 N ATOM 1007 CA GLN A 67 7.639 -1.184 -9.473 1.00 0.00 C ATOM 1008 C GLN A 67 8.159 -2.394 -8.705 1.00 0.00 C ATOM 1009 O GLN A 67 8.884 -2.252 -7.720 1.00 0.00 O ATOM 1010 CB GLN A 67 8.444 -0.997 -10.760 1.00 0.00 C ATOM 1011 CG GLN A 67 9.948 -0.988 -10.541 1.00 0.00 C ATOM 1012 CD GLN A 67 10.720 -0.660 -11.804 1.00 0.00 C ATOM 1013 OE1 GLN A 67 10.417 0.313 -12.496 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.725 -1.472 -12.112 1.00 0.00 N ATOM 0 H GLN A 67 8.558 0.104 -8.096 1.00 0.00 H new ATOM 0 HA GLN A 67 6.594 -1.361 -9.729 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.191 -1.797 -11.456 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.148 -0.059 -11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.195 -0.259 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 10.263 -1.963 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.941 -2.267 -11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.280 -1.301 -12.950 1.00 0.00 H new ATOM 1023 N ILE A 68 7.784 -3.584 -9.163 1.00 0.00 N ATOM 1024 CA ILE A 68 8.214 -4.820 -8.519 1.00 0.00 C ATOM 1025 C ILE A 68 9.285 -5.525 -9.343 1.00 0.00 C ATOM 1026 O ILE A 68 9.197 -5.591 -10.570 1.00 0.00 O ATOM 1027 CB ILE A 68 7.031 -5.782 -8.302 1.00 0.00 C ATOM 1028 CG1 ILE A 68 6.151 -5.293 -7.150 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.538 -7.190 -8.028 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.883 -6.099 -6.974 1.00 0.00 C ATOM 0 H ILE A 68 7.184 -3.719 -9.977 1.00 0.00 H new ATOM 0 HA ILE A 68 8.629 -4.544 -7.550 1.00 0.00 H new ATOM 0 HB ILE A 68 6.428 -5.804 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.726 -5.328 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.888 -4.249 -7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.691 -7.859 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.127 -7.537 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.161 -7.185 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.309 -5.696 -6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.287 -6.044 -7.885 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.138 -7.139 -6.770 1.00 0.00 H new ATOM 1042 N LEU A 69 10.295 -6.054 -8.662 1.00 0.00 N ATOM 1043 CA LEU A 69 11.384 -6.758 -9.330 1.00 0.00 C ATOM 1044 C LEU A 69 11.097 -8.254 -9.411 1.00 0.00 C ATOM 1045 O LEU A 69 10.859 -8.908 -8.395 1.00 0.00 O ATOM 1046 CB LEU A 69 12.702 -6.519 -8.591 1.00 0.00 C ATOM 1047 CG LEU A 69 13.147 -5.062 -8.467 1.00 0.00 C ATOM 1048 CD1 LEU A 69 14.373 -4.952 -7.573 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.432 -4.472 -9.841 1.00 0.00 C ATOM 0 H LEU A 69 10.383 -6.009 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 69 11.468 -6.368 -10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.614 -6.938 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.488 -7.076 -9.101 1.00 0.00 H new ATOM 0 HG LEU A 69 12.337 -4.493 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.675 -3.907 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.135 -5.334 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.189 -5.535 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.747 -3.434 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.224 -5.043 -10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.529 -4.515 -10.450 1.00 0.00 H new ATOM 1061 N THR A 70 11.123 -8.792 -10.626 1.00 0.00 N ATOM 1062 CA THR A 70 10.867 -10.211 -10.840 1.00 0.00 C ATOM 1063 C THR A 70 11.925 -10.830 -11.746 1.00 0.00 C ATOM 1064 O THR A 70 12.098 -10.409 -12.890 1.00 0.00 O ATOM 1065 CB THR A 70 9.476 -10.443 -11.460 1.00 0.00 C ATOM 1066 OG1 THR A 70 9.297 -9.589 -12.595 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.378 -10.178 -10.441 1.00 0.00 C ATOM 0 H THR A 70 11.319 -8.266 -11.478 1.00 0.00 H new ATOM 0 HA THR A 70 10.905 -10.691 -9.862 1.00 0.00 H new ATOM 0 HB THR A 70 9.413 -11.484 -11.776 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.134 -9.540 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.405 -10.348 -10.902 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.500 -10.850 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.441 -9.145 -10.098 1.00 0.00 H new ATOM 1214 N ALA A 82 6.953 -12.718 -7.176 1.00 0.00 N ATOM 1215 CA ALA A 82 7.812 -11.559 -6.974 1.00 0.00 C ATOM 1216 C ALA A 82 9.036 -11.921 -6.140 1.00 0.00 C ATOM 1217 O ALA A 82 8.916 -12.507 -5.063 1.00 0.00 O ATOM 1218 CB ALA A 82 7.033 -10.433 -6.311 1.00 0.00 C ATOM 0 HA ALA A 82 8.158 -11.220 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.688 -9.574 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.194 -10.148 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.658 -10.770 -5.345 1.00 0.00 H new ATOM 1224 N THR A 83 10.215 -11.569 -6.643 1.00 0.00 N ATOM 1225 CA THR A 83 11.461 -11.859 -5.945 1.00 0.00 C ATOM 1226 C THR A 83 11.974 -10.630 -5.202 1.00 0.00 C ATOM 1227 O THR A 83 12.673 -10.747 -4.197 1.00 0.00 O ATOM 1228 CB THR A 83 12.550 -12.347 -6.919 1.00 0.00 C ATOM 1229 OG1 THR A 83 12.980 -11.267 -7.754 1.00 0.00 O ATOM 1230 CG2 THR A 83 12.032 -13.488 -7.782 1.00 0.00 C ATOM 0 H THR A 83 10.333 -11.082 -7.532 1.00 0.00 H new ATOM 0 HA THR A 83 11.244 -12.650 -5.227 1.00 0.00 H new ATOM 0 HB THR A 83 13.394 -12.710 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.245 -10.628 -7.867 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.818 -13.816 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 83 11.733 -14.320 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.173 -13.147 -8.359 1.00 0.00 H new ATOM 1238 N GLY A 84 11.621 -9.450 -5.704 1.00 0.00 N ATOM 1239 CA GLY A 84 12.054 -8.217 -5.074 1.00 0.00 C ATOM 1240 C GLY A 84 11.151 -7.046 -5.410 1.00 0.00 C ATOM 1241 O GLY A 84 10.147 -7.207 -6.104 1.00 0.00 O ATOM 0 H GLY A 84 11.043 -9.327 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.079 -8.354 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.072 -7.989 -5.390 1.00 0.00 H new ATOM 1245 N MET A 85 11.506 -5.866 -4.915 1.00 0.00 N ATOM 1246 CA MET A 85 10.720 -4.664 -5.166 1.00 0.00 C ATOM 1247 C MET A 85 11.626 -3.455 -5.376 1.00 0.00 C ATOM 1248 O MET A 85 12.689 -3.350 -4.764 1.00 0.00 O ATOM 1249 CB MET A 85 9.762 -4.402 -4.002 1.00 0.00 C ATOM 1250 CG MET A 85 9.110 -3.030 -4.048 1.00 0.00 C ATOM 1251 SD MET A 85 7.763 -2.861 -2.861 1.00 0.00 S ATOM 1252 CE MET A 85 6.361 -2.690 -3.962 1.00 0.00 C ATOM 0 H MET A 85 12.333 -5.716 -4.337 1.00 0.00 H new ATOM 0 HA MET A 85 10.140 -4.823 -6.075 1.00 0.00 H new ATOM 0 HB2 MET A 85 8.984 -5.165 -4.004 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.307 -4.505 -3.064 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.863 -2.267 -3.848 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.729 -2.847 -5.053 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.025 -1.653 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.654 -2.979 -4.971 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.550 -3.334 -3.621 1.00 0.00 H new ATOM 1262 N PHE A 86 11.199 -2.544 -6.245 1.00 0.00 N ATOM 1263 CA PHE A 86 11.973 -1.343 -6.536 1.00 0.00 C ATOM 1264 C PHE A 86 11.144 -0.087 -6.284 1.00 0.00 C ATOM 1265 O PHE A 86 10.015 0.032 -6.762 1.00 0.00 O ATOM 1266 CB PHE A 86 12.460 -1.364 -7.986 1.00 0.00 C ATOM 1267 CG PHE A 86 13.533 -0.353 -8.273 1.00 0.00 C ATOM 1268 CD1 PHE A 86 14.867 -0.659 -8.057 1.00 0.00 C ATOM 1269 CD2 PHE A 86 13.207 0.904 -8.759 1.00 0.00 C ATOM 1270 CE1 PHE A 86 15.856 0.270 -8.320 1.00 0.00 C ATOM 1271 CE2 PHE A 86 14.192 1.837 -9.023 1.00 0.00 C ATOM 1272 CZ PHE A 86 15.519 1.519 -8.804 1.00 0.00 C ATOM 0 H PHE A 86 10.321 -2.615 -6.760 1.00 0.00 H new ATOM 0 HA PHE A 86 12.836 -1.327 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.838 -2.359 -8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.613 -1.181 -8.648 1.00 0.00 H new ATOM 0 HD1 PHE A 86 15.137 -1.634 -7.679 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.172 1.157 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 86 16.892 0.019 -8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.925 2.813 -9.400 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.291 2.246 -9.011 1.00 0.00 H new ATOM 1282 N LEU A 87 11.711 0.847 -5.529 1.00 0.00 N ATOM 1283 CA LEU A 87 11.025 2.095 -5.211 1.00 0.00 C ATOM 1284 C LEU A 87 11.962 3.288 -5.375 1.00 0.00 C ATOM 1285 O LEU A 87 13.175 3.164 -5.208 1.00 0.00 O ATOM 1286 CB LEU A 87 10.481 2.051 -3.783 1.00 0.00 C ATOM 1287 CG LEU A 87 9.656 0.818 -3.416 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.646 0.610 -1.909 1.00 0.00 C ATOM 1289 CD2 LEU A 87 8.236 0.949 -3.947 1.00 0.00 C ATOM 0 H LEU A 87 12.644 0.764 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 87 10.193 2.212 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.322 2.119 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.865 2.936 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 87 10.117 -0.054 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.054 -0.273 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.667 0.470 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.210 1.483 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.663 0.062 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.765 1.831 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.261 1.048 -5.032 1.00 0.00 H new ATOM 1301 N GLN A 88 11.390 4.442 -5.702 1.00 0.00 N ATOM 1302 CA GLN A 88 12.174 5.657 -5.886 1.00 0.00 C ATOM 1303 C GLN A 88 11.607 6.803 -5.054 1.00 0.00 C ATOM 1304 O GLN A 88 10.394 7.012 -5.012 1.00 0.00 O ATOM 1305 CB GLN A 88 12.203 6.051 -7.364 1.00 0.00 C ATOM 1306 CG GLN A 88 13.024 5.108 -8.229 1.00 0.00 C ATOM 1307 CD GLN A 88 12.922 5.433 -9.706 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.301 4.698 -10.474 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.533 6.540 -10.112 1.00 0.00 N ATOM 0 H GLN A 88 10.387 4.561 -5.845 1.00 0.00 H new ATOM 0 HA GLN A 88 13.191 5.457 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.182 6.082 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.608 7.059 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.069 5.156 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.689 4.084 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.037 7.120 -9.441 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.499 6.810 -11.095 1.00 0.00 H new ATOM 1318 N TYR A 89 12.491 7.541 -4.392 1.00 0.00 N ATOM 1319 CA TYR A 89 12.079 8.663 -3.558 1.00 0.00 C ATOM 1320 C TYR A 89 13.186 9.708 -3.465 1.00 0.00 C ATOM 1321 O TYR A 89 14.372 9.377 -3.472 1.00 0.00 O ATOM 1322 CB TYR A 89 11.704 8.175 -2.158 1.00 0.00 C ATOM 1323 CG TYR A 89 12.747 7.278 -1.530 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.986 7.780 -1.152 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.494 5.929 -1.316 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.942 6.965 -0.578 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.443 5.107 -0.741 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.666 5.629 -0.375 1.00 0.00 C ATOM 1329 OH TYR A 89 15.615 4.813 0.196 1.00 0.00 O ATOM 0 H TYR A 89 13.498 7.382 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 89 11.206 9.125 -4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.543 9.038 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.758 7.636 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.205 8.826 -1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.539 5.516 -1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.900 7.372 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.229 4.061 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 89 15.506 4.816 1.170 1.00 0.00 H new ATOM 1339 N THR A 90 12.790 10.974 -3.376 1.00 0.00 N ATOM 1340 CA THR A 90 13.747 12.070 -3.281 1.00 0.00 C ATOM 1341 C THR A 90 13.925 12.521 -1.836 1.00 0.00 C ATOM 1342 O THR A 90 12.961 12.593 -1.074 1.00 0.00 O ATOM 1343 CB THR A 90 13.307 13.275 -4.133 1.00 0.00 C ATOM 1344 OG1 THR A 90 12.028 13.745 -3.693 1.00 0.00 O ATOM 1345 CG2 THR A 90 13.237 12.901 -5.606 1.00 0.00 C ATOM 0 H THR A 90 11.813 11.266 -3.368 1.00 0.00 H new ATOM 0 HA THR A 90 14.697 11.694 -3.660 1.00 0.00 H new ATOM 0 HB THR A 90 14.046 14.067 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.756 14.512 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.924 13.768 -6.187 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.219 12.572 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.517 12.094 -5.743 1.00 0.00 H new ATOM 1353 N VAL A 91 15.165 12.825 -1.465 1.00 0.00 N ATOM 1354 CA VAL A 91 15.469 13.271 -0.110 1.00 0.00 C ATOM 1355 C VAL A 91 15.440 14.792 -0.014 1.00 0.00 C ATOM 1356 O VAL A 91 15.918 15.505 -0.897 1.00 0.00 O ATOM 1357 CB VAL A 91 16.849 12.765 0.351 1.00 0.00 C ATOM 1358 CG1 VAL A 91 17.179 13.301 1.735 1.00 0.00 C ATOM 1359 CG2 VAL A 91 16.890 11.244 0.336 1.00 0.00 C ATOM 0 H VAL A 91 15.975 12.771 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 91 14.701 12.853 0.541 1.00 0.00 H new ATOM 0 HB VAL A 91 17.603 13.134 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.157 12.933 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.193 14.391 1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.424 12.964 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.872 10.903 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.127 10.853 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.701 10.885 -0.676 1.00 0.00 H new ATOM 1369 N PRO A 92 14.866 15.304 1.086 1.00 0.00 N ATOM 1370 CA PRO A 92 14.762 16.747 1.325 1.00 0.00 C ATOM 1371 C PRO A 92 16.116 17.386 1.615 1.00 0.00 C ATOM 1372 O PRO A 92 16.846 16.942 2.500 1.00 0.00 O ATOM 1373 CB PRO A 92 13.854 16.838 2.554 1.00 0.00 C ATOM 1374 CG PRO A 92 14.036 15.536 3.256 1.00 0.00 C ATOM 1375 CD PRO A 92 14.276 14.515 2.179 1.00 0.00 C ATOM 0 HA PRO A 92 14.378 17.278 0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.135 17.675 3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.814 16.991 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.878 15.580 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.154 15.283 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.950 13.727 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.349 14.031 1.870 1.00 0.00 H new ATOM 1383 N GLY A 93 16.445 18.432 0.863 1.00 0.00 N ATOM 1384 CA GLY A 93 17.710 19.116 1.055 1.00 0.00 C ATOM 1385 C GLY A 93 18.816 18.543 0.190 1.00 0.00 C ATOM 1386 O GLY A 93 19.737 19.257 -0.208 1.00 0.00 O ATOM 0 H GLY A 93 15.857 18.818 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.586 20.174 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 93 18.001 19.048 2.103 1.00 0.00 H new ATOM 1390 N THR A 94 18.727 17.249 -0.101 1.00 0.00 N ATOM 1391 CA THR A 94 19.728 16.580 -0.922 1.00 0.00 C ATOM 1392 C THR A 94 19.350 16.627 -2.398 1.00 0.00 C ATOM 1393 O THR A 94 18.191 16.423 -2.758 1.00 0.00 O ATOM 1394 CB THR A 94 19.912 15.110 -0.498 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.438 15.047 0.833 1.00 0.00 O ATOM 1396 CG2 THR A 94 20.846 14.384 -1.453 1.00 0.00 C ATOM 0 H THR A 94 17.972 16.643 0.220 1.00 0.00 H new ATOM 0 HA THR A 94 20.666 17.114 -0.773 1.00 0.00 H new ATOM 0 HB THR A 94 18.938 14.621 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.551 14.110 1.096 1.00 0.00 H new ATOM 0 HG21 THR A 94 20.960 13.348 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 94 20.428 14.409 -2.460 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.820 14.874 -1.452 1.00 0.00 H new ATOM 1404 N GLU A 95 20.336 16.897 -3.248 1.00 0.00 N ATOM 1405 CA GLU A 95 20.105 16.970 -4.686 1.00 0.00 C ATOM 1406 C GLU A 95 20.331 15.612 -5.344 1.00 0.00 C ATOM 1407 O GLU A 95 21.451 15.103 -5.373 1.00 0.00 O ATOM 1408 CB GLU A 95 21.024 18.016 -5.320 1.00 0.00 C ATOM 1409 CG GLU A 95 20.685 19.444 -4.926 1.00 0.00 C ATOM 1410 CD GLU A 95 21.897 20.355 -4.936 1.00 0.00 C ATOM 1411 OE1 GLU A 95 22.942 19.958 -4.380 1.00 0.00 O ATOM 1412 OE2 GLU A 95 21.800 21.465 -5.500 1.00 0.00 O ATOM 0 H GLU A 95 21.301 17.069 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 95 19.068 17.263 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.054 17.804 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.970 17.925 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.934 19.837 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.241 19.447 -3.930 1.00 0.00 H new ATOM 1419 N GLY A 96 19.259 15.030 -5.871 1.00 0.00 N ATOM 1420 CA GLY A 96 19.361 13.736 -6.521 1.00 0.00 C ATOM 1421 C GLY A 96 18.281 12.773 -6.068 1.00 0.00 C ATOM 1422 O GLY A 96 17.603 13.014 -5.069 1.00 0.00 O ATOM 0 H GLY A 96 18.321 15.431 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.295 13.869 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.340 13.304 -6.312 1.00 0.00 H new ATOM 1426 N VAL A 97 18.119 11.679 -6.805 1.00 0.00 N ATOM 1427 CA VAL A 97 17.114 10.676 -6.473 1.00 0.00 C ATOM 1428 C VAL A 97 17.763 9.403 -5.941 1.00 0.00 C ATOM 1429 O VAL A 97 18.776 8.941 -6.468 1.00 0.00 O ATOM 1430 CB VAL A 97 16.248 10.324 -7.697 1.00 0.00 C ATOM 1431 CG1 VAL A 97 15.127 9.374 -7.303 1.00 0.00 C ATOM 1432 CG2 VAL A 97 15.687 11.588 -8.333 1.00 0.00 C ATOM 0 H VAL A 97 18.671 11.465 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 97 16.479 11.108 -5.699 1.00 0.00 H new ATOM 0 HB VAL A 97 16.876 9.821 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.526 9.137 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.553 8.457 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.498 9.847 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.078 11.321 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 97 15.073 12.120 -7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 97 16.508 12.230 -8.653 1.00 0.00 H new ATOM 1442 N THR A 98 17.172 8.838 -4.893 1.00 0.00 N ATOM 1443 CA THR A 98 17.692 7.618 -4.288 1.00 0.00 C ATOM 1444 C THR A 98 16.766 6.436 -4.552 1.00 0.00 C ATOM 1445 O THR A 98 15.547 6.553 -4.434 1.00 0.00 O ATOM 1446 CB THR A 98 17.878 7.780 -2.768 1.00 0.00 C ATOM 1447 OG1 THR A 98 18.736 8.894 -2.496 1.00 0.00 O ATOM 1448 CG2 THR A 98 18.469 6.518 -2.158 1.00 0.00 C ATOM 0 H THR A 98 16.333 9.206 -4.445 1.00 0.00 H new ATOM 0 HA THR A 98 18.662 7.426 -4.747 1.00 0.00 H new ATOM 0 HB THR A 98 16.900 7.957 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.848 8.992 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 98 18.591 6.656 -1.084 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.800 5.677 -2.342 1.00 0.00 H new ATOM 0 HG23 THR A 98 19.440 6.315 -2.611 1.00 0.00 H new ATOM 1456 N GLN A 99 17.353 5.298 -4.908 1.00 0.00 N ATOM 1457 CA GLN A 99 16.580 4.094 -5.188 1.00 0.00 C ATOM 1458 C GLN A 99 16.695 3.094 -4.043 1.00 0.00 C ATOM 1459 O GLN A 99 17.636 3.148 -3.250 1.00 0.00 O ATOM 1460 CB GLN A 99 17.052 3.451 -6.493 1.00 0.00 C ATOM 1461 CG GLN A 99 18.489 2.958 -6.442 1.00 0.00 C ATOM 1462 CD GLN A 99 18.699 1.876 -5.401 1.00 0.00 C ATOM 1463 OE1 GLN A 99 19.455 2.055 -4.446 1.00 0.00 O ATOM 1464 NE2 GLN A 99 18.028 0.744 -5.580 1.00 0.00 N ATOM 0 H GLN A 99 18.362 5.185 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 99 15.533 4.381 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.397 2.613 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.953 4.175 -7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 99 18.772 2.574 -7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 99 19.150 3.798 -6.226 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.412 0.638 -6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.129 -0.020 -4.911 1.00 0.00 H new ATOM 1473 N LEU A 100 15.733 2.182 -3.961 1.00 0.00 N ATOM 1474 CA LEU A 100 15.726 1.169 -2.912 1.00 0.00 C ATOM 1475 C LEU A 100 15.356 -0.199 -3.478 1.00 0.00 C ATOM 1476 O LEU A 100 14.306 -0.363 -4.099 1.00 0.00 O ATOM 1477 CB LEU A 100 14.744 1.558 -1.806 1.00 0.00 C ATOM 1478 CG LEU A 100 15.006 0.945 -0.430 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.948 1.825 0.376 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.697 0.736 0.318 1.00 0.00 C ATOM 0 H LEU A 100 14.947 2.123 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 100 16.730 1.109 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.752 2.643 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.740 1.275 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 100 15.481 -0.026 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 100 16.123 1.373 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.896 1.924 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.502 2.811 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.902 0.299 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.195 1.695 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 100 13.055 0.064 -0.252 1.00 0.00 H new ATOM 1492 N LYS A 101 16.226 -1.179 -3.258 1.00 0.00 N ATOM 1493 CA LYS A 101 15.990 -2.534 -3.742 1.00 0.00 C ATOM 1494 C LYS A 101 15.563 -3.453 -2.602 1.00 0.00 C ATOM 1495 O LYS A 101 16.019 -3.305 -1.468 1.00 0.00 O ATOM 1496 CB LYS A 101 17.252 -3.086 -4.410 1.00 0.00 C ATOM 1497 CG LYS A 101 16.966 -4.085 -5.518 1.00 0.00 C ATOM 1498 CD LYS A 101 18.148 -4.221 -6.464 1.00 0.00 C ATOM 1499 CE LYS A 101 18.120 -3.156 -7.549 1.00 0.00 C ATOM 1500 NZ LYS A 101 19.044 -3.481 -8.670 1.00 0.00 N ATOM 0 H LYS A 101 17.101 -1.060 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 101 15.184 -2.495 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.828 -2.257 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.874 -3.564 -3.653 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.734 -5.057 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.086 -3.768 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.077 -4.143 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 101 18.136 -5.210 -6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.105 -3.056 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.395 -2.193 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.995 -2.731 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 20.017 -3.552 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.766 -4.388 -9.097 1.00 0.00 H new ATOM 1514 N LEU A 102 14.686 -4.402 -2.910 1.00 0.00 N ATOM 1515 CA LEU A 102 14.199 -5.347 -1.911 1.00 0.00 C ATOM 1516 C LEU A 102 14.280 -6.779 -2.430 1.00 0.00 C ATOM 1517 O LEU A 102 13.811 -7.081 -3.528 1.00 0.00 O ATOM 1518 CB LEU A 102 12.756 -5.013 -1.526 1.00 0.00 C ATOM 1519 CG LEU A 102 12.511 -3.595 -1.009 1.00 0.00 C ATOM 1520 CD1 LEU A 102 11.020 -3.330 -0.866 1.00 0.00 C ATOM 1521 CD2 LEU A 102 13.222 -3.382 0.320 1.00 0.00 C ATOM 0 H LEU A 102 14.298 -4.538 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 102 14.833 -5.264 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.122 -5.175 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.433 -5.718 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 102 12.917 -2.889 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.864 -2.316 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.536 -3.441 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.590 -4.042 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.037 -2.368 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.845 -4.096 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.294 -3.530 0.187 1.00 0.00 H new ATOM 1533 N THR A 103 14.877 -7.659 -1.633 1.00 0.00 N ATOM 1534 CA THR A 103 15.019 -9.060 -2.011 1.00 0.00 C ATOM 1535 C THR A 103 14.712 -9.980 -0.835 1.00 0.00 C ATOM 1536 O THR A 103 15.039 -9.671 0.311 1.00 0.00 O ATOM 1537 CB THR A 103 16.439 -9.361 -2.527 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.745 -8.514 -3.640 1.00 0.00 O ATOM 1539 CG2 THR A 103 16.565 -10.819 -2.942 1.00 0.00 C ATOM 0 H THR A 103 15.270 -7.426 -0.721 1.00 0.00 H new ATOM 0 HA THR A 103 14.303 -9.246 -2.811 1.00 0.00 H new ATOM 0 HB THR A 103 17.145 -9.167 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.650 -8.710 -3.961 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.576 -11.008 -3.303 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.360 -11.460 -2.085 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.850 -11.034 -3.736 1.00 0.00 H new ATOM 1547 N VAL A 104 14.081 -11.113 -1.126 1.00 0.00 N ATOM 1548 CA VAL A 104 13.731 -12.081 -0.092 1.00 0.00 C ATOM 1549 C VAL A 104 14.954 -12.874 0.355 1.00 0.00 C ATOM 1550 O VAL A 104 15.721 -13.369 -0.470 1.00 0.00 O ATOM 1551 CB VAL A 104 12.649 -13.060 -0.584 1.00 0.00 C ATOM 1552 CG1 VAL A 104 12.366 -14.118 0.472 1.00 0.00 C ATOM 1553 CG2 VAL A 104 11.378 -12.309 -0.952 1.00 0.00 C ATOM 0 H VAL A 104 13.802 -11.384 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 104 13.341 -11.515 0.753 1.00 0.00 H new ATOM 0 HB VAL A 104 13.018 -13.563 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 104 11.599 -14.801 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.279 -14.676 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 104 12.017 -13.636 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.624 -13.017 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 104 11.003 -11.778 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.595 -11.594 -1.745 1.00 0.00 H new ATOM 1563 N VAL A 105 15.129 -12.990 1.667 1.00 0.00 N ATOM 1564 CA VAL A 105 16.258 -13.725 2.226 1.00 0.00 C ATOM 1565 C VAL A 105 15.845 -15.131 2.646 1.00 0.00 C ATOM 1566 O VAL A 105 14.667 -15.397 2.885 1.00 0.00 O ATOM 1567 CB VAL A 105 16.858 -12.993 3.441 1.00 0.00 C ATOM 1568 CG1 VAL A 105 15.923 -13.089 4.637 1.00 0.00 C ATOM 1569 CG2 VAL A 105 18.229 -13.558 3.779 1.00 0.00 C ATOM 0 H VAL A 105 14.504 -12.585 2.363 1.00 0.00 H new ATOM 0 HA VAL A 105 17.012 -13.790 1.442 1.00 0.00 H new ATOM 0 HB VAL A 105 16.977 -11.940 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 105 16.363 -12.566 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 105 14.965 -12.633 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 105 15.770 -14.137 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 105 18.638 -13.029 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 105 18.138 -14.618 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.895 -13.432 2.925 1.00 0.00 H new ATOM 1659 N ARG A 112 8.609 -17.520 3.003 1.00 0.00 N ATOM 1660 CA ARG A 112 8.530 -16.785 1.746 1.00 0.00 C ATOM 1661 C ARG A 112 7.100 -16.327 1.473 1.00 0.00 C ATOM 1662 O ARG A 112 6.859 -15.159 1.170 1.00 0.00 O ATOM 1663 CB ARG A 112 9.028 -17.654 0.590 1.00 0.00 C ATOM 1664 CG ARG A 112 10.525 -17.549 0.351 1.00 0.00 C ATOM 1665 CD ARG A 112 10.873 -17.776 -1.113 1.00 0.00 C ATOM 1666 NE ARG A 112 11.094 -19.188 -1.410 1.00 0.00 N ATOM 1667 CZ ARG A 112 11.128 -19.683 -2.642 1.00 0.00 C ATOM 1668 NH1 ARG A 112 10.956 -18.885 -3.686 1.00 0.00 N ATOM 1669 NH2 ARG A 112 11.335 -20.980 -2.832 1.00 0.00 N ATOM 0 HA ARG A 112 9.166 -15.904 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 112 8.773 -18.694 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.502 -17.368 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.876 -16.565 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 112 11.045 -18.282 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.067 -17.395 -1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 112 11.769 -17.208 -1.365 1.00 0.00 H new ATOM 0 HE ARG A 112 11.230 -19.830 -0.629 1.00 0.00 H new ATOM 0 HH11 ARG A 112 10.797 -17.887 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.983 -19.268 -4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 112 11.468 -21.598 -2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 112 11.361 -21.359 -3.779 1.00 0.00 H new ATOM 1683 N ARG A 113 6.156 -17.256 1.584 1.00 0.00 N ATOM 1684 CA ARG A 113 4.750 -16.949 1.347 1.00 0.00 C ATOM 1685 C ARG A 113 4.386 -15.587 1.932 1.00 0.00 C ATOM 1686 O ARG A 113 3.461 -14.926 1.460 1.00 0.00 O ATOM 1687 CB ARG A 113 3.860 -18.033 1.957 1.00 0.00 C ATOM 1688 CG ARG A 113 3.828 -19.320 1.149 1.00 0.00 C ATOM 1689 CD ARG A 113 2.760 -20.274 1.663 1.00 0.00 C ATOM 1690 NE ARG A 113 2.784 -21.553 0.958 1.00 0.00 N ATOM 1691 CZ ARG A 113 2.215 -22.659 1.424 1.00 0.00 C ATOM 1692 NH1 ARG A 113 1.581 -22.643 2.588 1.00 0.00 N ATOM 1693 NH2 ARG A 113 2.280 -23.785 0.725 1.00 0.00 N ATOM 0 H ARG A 113 6.339 -18.227 1.836 1.00 0.00 H new ATOM 0 HA ARG A 113 4.586 -16.918 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.211 -18.255 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.845 -17.647 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.637 -19.088 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.803 -19.805 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.909 -20.445 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.778 -19.815 1.548 1.00 0.00 H new ATOM 0 HE ARG A 113 3.264 -21.599 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.529 -21.780 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.145 -23.494 2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.767 -23.802 -0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.843 -24.634 1.084 1.00 0.00 H new ATOM 1707 N GLN A 114 5.118 -15.176 2.963 1.00 0.00 N ATOM 1708 CA GLN A 114 4.871 -13.895 3.612 1.00 0.00 C ATOM 1709 C GLN A 114 5.375 -12.741 2.751 1.00 0.00 C ATOM 1710 O GLN A 114 4.591 -11.919 2.278 1.00 0.00 O ATOM 1711 CB GLN A 114 5.546 -13.856 4.984 1.00 0.00 C ATOM 1712 CG GLN A 114 5.031 -12.744 5.884 1.00 0.00 C ATOM 1713 CD GLN A 114 3.625 -13.004 6.388 1.00 0.00 C ATOM 1714 OE1 GLN A 114 3.426 -13.747 7.350 1.00 0.00 O ATOM 1715 NE2 GLN A 114 2.641 -12.393 5.739 1.00 0.00 N ATOM 0 H GLN A 114 5.887 -15.712 3.366 1.00 0.00 H new ATOM 0 HA GLN A 114 3.794 -13.784 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.395 -14.814 5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.620 -13.734 4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.703 -12.630 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.048 -11.802 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.852 -11.786 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.674 -12.531 6.032 1.00 0.00 H new ATOM 1724 N ALA A 115 6.688 -12.687 2.553 1.00 0.00 N ATOM 1725 CA ALA A 115 7.296 -11.636 1.747 1.00 0.00 C ATOM 1726 C ALA A 115 6.690 -11.595 0.349 1.00 0.00 C ATOM 1727 O ALA A 115 6.157 -10.571 -0.079 1.00 0.00 O ATOM 1728 CB ALA A 115 8.802 -11.838 1.666 1.00 0.00 C ATOM 0 H ALA A 115 7.351 -13.359 2.940 1.00 0.00 H new ATOM 0 HA ALA A 115 7.094 -10.680 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.243 -11.046 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.228 -11.808 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 115 9.015 -12.805 1.210 1.00 0.00 H new ATOM 1734 N VAL A 116 6.775 -12.716 -0.361 1.00 0.00 N ATOM 1735 CA VAL A 116 6.234 -12.809 -1.712 1.00 0.00 C ATOM 1736 C VAL A 116 4.866 -12.142 -1.803 1.00 0.00 C ATOM 1737 O VAL A 116 4.543 -11.499 -2.801 1.00 0.00 O ATOM 1738 CB VAL A 116 6.109 -14.275 -2.167 1.00 0.00 C ATOM 1739 CG1 VAL A 116 5.517 -14.351 -3.566 1.00 0.00 C ATOM 1740 CG2 VAL A 116 7.463 -14.965 -2.115 1.00 0.00 C ATOM 0 H VAL A 116 7.214 -13.573 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 116 6.933 -12.291 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 116 5.435 -14.793 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.436 -15.394 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.527 -13.895 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.163 -13.818 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.357 -16.000 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.160 -14.448 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.844 -14.942 -1.094 1.00 0.00 H new ATOM 1750 N ALA A 117 4.066 -12.299 -0.754 1.00 0.00 N ATOM 1751 CA ALA A 117 2.733 -11.710 -0.714 1.00 0.00 C ATOM 1752 C ALA A 117 2.806 -10.201 -0.504 1.00 0.00 C ATOM 1753 O ALA A 117 2.375 -9.425 -1.357 1.00 0.00 O ATOM 1754 CB ALA A 117 1.902 -12.358 0.384 1.00 0.00 C ATOM 0 H ALA A 117 4.318 -12.829 0.080 1.00 0.00 H new ATOM 0 HA ALA A 117 2.252 -11.894 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.909 -11.908 0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.813 -13.427 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.388 -12.203 1.347 1.00 0.00 H new ATOM 1760 N TRP A 118 3.353 -9.793 0.636 1.00 0.00 N ATOM 1761 CA TRP A 118 3.481 -8.376 0.957 1.00 0.00 C ATOM 1762 C TRP A 118 3.901 -7.575 -0.270 1.00 0.00 C ATOM 1763 O TRP A 118 3.554 -6.401 -0.406 1.00 0.00 O ATOM 1764 CB TRP A 118 4.496 -8.178 2.083 1.00 0.00 C ATOM 1765 CG TRP A 118 4.613 -6.753 2.534 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.113 -6.213 3.684 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.271 -5.687 1.841 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.420 -4.875 3.748 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.131 -4.528 2.629 1.00 0.00 C ATOM 1770 CE3 TRP A 118 5.967 -5.598 0.632 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.659 -3.298 2.246 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.491 -4.377 0.253 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.336 -3.241 1.058 1.00 0.00 C ATOM 0 H TRP A 118 3.715 -10.423 1.353 1.00 0.00 H new ATOM 0 HA TRP A 118 2.507 -8.014 1.287 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.211 -8.798 2.933 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.473 -8.527 1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.558 -6.757 4.433 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.161 -4.243 4.505 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.093 -6.468 0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.539 -2.421 2.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 7.029 -4.297 -0.680 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.759 -2.301 0.735 1.00 0.00 H new ATOM 1784 N LEU A 119 4.649 -8.216 -1.162 1.00 0.00 N ATOM 1785 CA LEU A 119 5.117 -7.562 -2.379 1.00 0.00 C ATOM 1786 C LEU A 119 3.947 -7.215 -3.294 1.00 0.00 C ATOM 1787 O LEU A 119 3.675 -6.043 -3.554 1.00 0.00 O ATOM 1788 CB LEU A 119 6.107 -8.465 -3.118 1.00 0.00 C ATOM 1789 CG LEU A 119 7.468 -8.657 -2.449 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.340 -9.593 -3.271 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.160 -7.315 -2.253 1.00 0.00 C ATOM 0 H LEU A 119 4.944 -9.188 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 119 5.620 -6.637 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.647 -9.445 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.269 -8.054 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 119 7.309 -9.108 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.305 -9.717 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.850 -10.563 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.491 -9.171 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.127 -7.471 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.306 -6.836 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.543 -6.676 -1.622 1.00 0.00 H new ATOM 1803 N VAL A 120 3.256 -8.242 -3.779 1.00 0.00 N ATOM 1804 CA VAL A 120 2.113 -8.046 -4.663 1.00 0.00 C ATOM 1805 C VAL A 120 1.035 -7.206 -3.988 1.00 0.00 C ATOM 1806 O VAL A 120 0.382 -6.383 -4.630 1.00 0.00 O ATOM 1807 CB VAL A 120 1.503 -9.392 -5.098 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.198 -10.257 -3.885 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.249 -9.163 -5.930 1.00 0.00 C ATOM 0 H VAL A 120 3.468 -9.219 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 120 2.480 -7.520 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 120 2.230 -9.919 -5.715 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.768 -11.204 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.119 -10.448 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.489 -9.740 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.170 -10.124 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.485 -8.616 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.503 -8.585 -6.819 1.00 0.00 H new ATOM 1819 N ALA A 121 0.853 -7.419 -2.689 1.00 0.00 N ATOM 1820 CA ALA A 121 -0.145 -6.680 -1.926 1.00 0.00 C ATOM 1821 C ALA A 121 0.211 -5.199 -1.847 1.00 0.00 C ATOM 1822 O ALA A 121 -0.670 -4.339 -1.840 1.00 0.00 O ATOM 1823 CB ALA A 121 -0.281 -7.266 -0.528 1.00 0.00 C ATOM 0 H ALA A 121 1.384 -8.098 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.101 -6.771 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.030 -6.704 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.588 -8.309 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.678 -7.205 -0.013 1.00 0.00 H new ATOM 1829 N MET A 122 1.506 -4.908 -1.788 1.00 0.00 N ATOM 1830 CA MET A 122 1.977 -3.530 -1.711 1.00 0.00 C ATOM 1831 C MET A 122 1.661 -2.775 -2.998 1.00 0.00 C ATOM 1832 O MET A 122 1.040 -1.712 -2.969 1.00 0.00 O ATOM 1833 CB MET A 122 3.483 -3.498 -1.443 1.00 0.00 C ATOM 1834 CG MET A 122 4.078 -2.099 -1.487 1.00 0.00 C ATOM 1835 SD MET A 122 3.635 -1.110 -0.046 1.00 0.00 S ATOM 1836 CE MET A 122 3.293 0.472 -0.813 1.00 0.00 C ATOM 0 H MET A 122 2.248 -5.608 -1.792 1.00 0.00 H new ATOM 0 HA MET A 122 1.458 -3.040 -0.887 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.679 -3.937 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 122 3.988 -4.122 -2.180 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.164 -2.172 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.737 -1.592 -2.390 1.00 0.00 H new ATOM 0 HE1 MET A 122 3.108 1.219 -0.041 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.149 0.777 -1.415 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.413 0.385 -1.451 1.00 0.00 H new ATOM 1846 N HIS A 123 2.093 -3.330 -4.126 1.00 0.00 N ATOM 1847 CA HIS A 123 1.855 -2.708 -5.423 1.00 0.00 C ATOM 1848 C HIS A 123 0.362 -2.644 -5.731 1.00 0.00 C ATOM 1849 O HIS A 123 -0.158 -1.601 -6.125 1.00 0.00 O ATOM 1850 CB HIS A 123 2.582 -3.481 -6.524 1.00 0.00 C ATOM 1851 CG HIS A 123 2.289 -2.978 -7.904 1.00 0.00 C ATOM 1852 ND1 HIS A 123 1.111 -3.248 -8.569 1.00 0.00 N ATOM 1853 CD2 HIS A 123 3.027 -2.215 -8.743 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.139 -2.675 -9.759 1.00 0.00 C ATOM 1855 NE2 HIS A 123 2.291 -2.041 -9.889 1.00 0.00 N ATOM 0 H HIS A 123 2.609 -4.209 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 123 2.244 -1.690 -5.386 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.656 -3.426 -6.347 1.00 0.00 H new ATOM 0 HB3 HIS A 123 2.303 -4.533 -6.463 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.012 -1.817 -8.548 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.354 -2.718 -10.500 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.586 -1.509 -10.708 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.323 -3.768 -5.547 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.756 -3.842 -5.804 1.00 0.00 C ATOM 1865 C LYS A 124 -2.498 -2.729 -5.070 1.00 0.00 C ATOM 1866 O LYS A 124 -3.412 -2.114 -5.617 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.303 -5.204 -5.373 1.00 0.00 C ATOM 1868 CG LYS A 124 -1.962 -6.329 -6.335 1.00 0.00 C ATOM 1869 CD LYS A 124 -2.981 -6.431 -7.457 1.00 0.00 C ATOM 1870 CE LYS A 124 -2.861 -7.753 -8.200 1.00 0.00 C ATOM 1871 NZ LYS A 124 -3.268 -8.906 -7.350 1.00 0.00 N ATOM 0 H LYS A 124 0.092 -4.641 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 124 -1.915 -3.716 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.909 -5.449 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.387 -5.137 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -0.971 -6.161 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -1.921 -7.273 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -3.986 -6.333 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -2.839 -5.606 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -3.483 -7.724 -9.095 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -1.832 -7.891 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -3.483 -9.724 -7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -2.493 -9.149 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -4.113 -8.651 -6.800 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.097 -2.475 -3.828 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.721 -1.435 -3.021 1.00 0.00 C ATOM 1887 C ALA A 125 -2.232 -0.051 -3.435 1.00 0.00 C ATOM 1888 O ALA A 125 -3.014 0.896 -3.514 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.444 -1.674 -1.544 1.00 0.00 C ATOM 0 H ALA A 125 -1.342 -2.976 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.797 -1.477 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.916 -0.889 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.849 -2.643 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.368 -1.662 -1.369 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.934 0.058 -3.699 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.341 1.326 -4.106 1.00 0.00 C ATOM 1897 C ALA A 126 -1.114 1.946 -5.265 1.00 0.00 C ATOM 1898 O ALA A 126 -1.122 3.165 -5.438 1.00 0.00 O ATOM 1899 CB ALA A 126 1.118 1.127 -4.488 1.00 0.00 C ATOM 0 H ALA A 126 -0.273 -0.717 -3.638 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.393 2.012 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.549 2.082 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.668 0.735 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.184 0.421 -5.316 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.763 1.100 -6.057 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.540 1.564 -7.201 1.00 0.00 C ATOM 1907 C LYS A 127 -3.670 2.485 -6.752 1.00 0.00 C ATOM 1908 O LYS A 127 -3.773 3.625 -7.206 1.00 0.00 O ATOM 1909 CB LYS A 127 -3.114 0.373 -7.971 1.00 0.00 C ATOM 1910 CG LYS A 127 -2.092 -0.337 -8.842 1.00 0.00 C ATOM 1911 CD LYS A 127 -2.637 -1.646 -9.388 1.00 0.00 C ATOM 1912 CE LYS A 127 -3.395 -1.434 -10.690 1.00 0.00 C ATOM 1913 NZ LYS A 127 -4.827 -1.104 -10.451 1.00 0.00 N ATOM 0 H LYS A 127 -1.767 0.088 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.875 2.126 -7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.532 -0.340 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.936 0.718 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -1.805 0.312 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.190 -0.531 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.815 -2.343 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -3.298 -2.102 -8.651 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.926 -0.629 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -3.327 -2.334 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -5.409 -1.511 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -5.126 -1.499 -9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -4.948 -0.071 -10.438 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.515 1.984 -5.858 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.638 2.763 -5.346 1.00 0.00 C ATOM 1929 C LEU A 128 -5.169 4.119 -4.829 1.00 0.00 C ATOM 1930 O LEU A 128 -5.913 5.101 -4.866 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.349 1.997 -4.229 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.229 0.827 -4.672 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.333 -0.211 -3.566 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.611 1.322 -5.073 1.00 0.00 C ATOM 0 H LEU A 128 -4.444 1.042 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.337 2.929 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.595 1.618 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.967 2.700 -3.671 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.767 0.357 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.963 -1.036 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.339 -0.588 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.772 0.245 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.224 0.476 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.081 1.816 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.519 2.028 -5.898 1.00 0.00 H new ATOM 1946 N LEU A 129 -3.931 4.169 -4.350 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.362 5.406 -3.828 1.00 0.00 C ATOM 1948 C LEU A 129 -3.135 6.416 -4.948 1.00 0.00 C ATOM 1949 O LEU A 129 -3.388 7.609 -4.782 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.042 5.119 -3.109 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.146 4.804 -1.616 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.775 4.487 -1.041 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -2.785 5.966 -0.869 1.00 0.00 C ATOM 0 H LEU A 129 -3.302 3.367 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.071 5.832 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.557 4.278 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.388 5.982 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.780 3.926 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.869 4.265 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.355 3.623 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.117 5.345 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.851 5.724 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.177 6.861 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.785 6.146 -1.263 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.658 5.930 -6.088 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.396 6.790 -7.236 1.00 0.00 C ATOM 1967 C TYR A 130 -3.505 6.663 -8.276 1.00 0.00 C ATOM 1968 O TYR A 130 -4.211 7.628 -8.567 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.048 6.439 -7.867 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.043 5.889 -6.880 1.00 0.00 C ATOM 1971 CD1 TYR A 130 0.126 6.473 -5.631 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.738 4.784 -7.197 1.00 0.00 C ATOM 1973 CE1 TYR A 130 1.043 5.974 -4.727 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.657 4.277 -6.298 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.806 4.876 -5.065 1.00 0.00 C ATOM 1976 OH TYR A 130 2.720 4.376 -4.167 1.00 0.00 O ATOM 0 H TYR A 130 -2.445 4.945 -6.242 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.367 7.822 -6.885 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -1.206 5.706 -8.658 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.633 7.331 -8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.470 7.332 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 130 0.625 4.313 -8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 130 1.162 6.441 -3.761 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.255 3.417 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 130 2.408 4.547 -3.254 1.00 0.00 H new