USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 599 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 73 CYS SG : rot 180:sc= -2.84 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.42 K(o=-4.3,f=-8.2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -30:sc= 0.459 USER MOD Single : A 21 CYS SG : rot 110:sc= -0.806 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= -0.047 (180deg=-0.337) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 30 GLN : amide:sc= -2.58! K(o=-2.6!,f=-1.9) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -3.72! C(o=-3.7!,f=-7.2!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= -2.29! (180deg=-4.17!) USER MOD Single : A 41 CYS SG : rot -73:sc= 0.0168 USER MOD Single : A 43 GLN : amide:sc= 0.0122 X(o=0.012,f=-0.32) USER MOD Single : A 44 ASN : amide:sc= -6.09! C(o=-6.1!,f=-17!) USER MOD Single : A 51 THR OG1 : rot -144:sc= 0.977 USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.0516 (180deg=-0.342) USER MOD Single : A 57 ASN : amide:sc= -0.0937 X(o=-0.094,f=-0.59) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -83:sc= 0.477 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 80 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-2.9!) USER MOD Single : A 83 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.68) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= -0.0833 (180deg=-0.41) USER MOD Single : A 89 SER OG : rot 0:sc= 0.297 USER MOD ----------------------------------------------------------------- ATOM 161 N PRO A 15 -0.991 10.043 -10.263 1.00 0.00 N ATOM 162 CA PRO A 15 -2.165 9.527 -9.553 1.00 0.00 C ATOM 163 C PRO A 15 -1.897 8.179 -8.892 1.00 0.00 C ATOM 164 O PRO A 15 -2.793 7.577 -8.299 1.00 0.00 O ATOM 165 CB PRO A 15 -3.213 9.381 -10.660 1.00 0.00 C ATOM 166 CG PRO A 15 -2.421 9.209 -11.910 1.00 0.00 C ATOM 167 CD PRO A 15 -1.170 10.023 -11.724 1.00 0.00 C ATOM 0 HA PRO A 15 -2.472 10.186 -8.740 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.861 8.523 -10.481 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.855 10.260 -10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.182 8.159 -12.079 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.984 9.551 -12.779 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.316 9.569 -12.227 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.281 11.029 -12.129 1.00 0.00 H new ATOM 175 N THR A 16 -0.658 7.709 -8.998 1.00 0.00 N ATOM 176 CA THR A 16 -0.272 6.432 -8.411 1.00 0.00 C ATOM 177 C THR A 16 0.947 6.587 -7.509 1.00 0.00 C ATOM 178 O THR A 16 1.857 7.361 -7.807 1.00 0.00 O ATOM 179 CB THR A 16 0.037 5.385 -9.498 1.00 0.00 C ATOM 180 OG1 THR A 16 1.149 5.816 -10.290 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.173 5.160 -10.392 1.00 0.00 C ATOM 0 H THR A 16 0.096 8.194 -9.485 1.00 0.00 H new ATOM 0 HA THR A 16 -1.119 6.089 -7.816 1.00 0.00 H new ATOM 0 HB THR A 16 0.285 4.444 -9.006 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.341 5.145 -10.978 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.931 4.417 -11.152 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.009 4.804 -9.790 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.447 6.097 -10.876 1.00 0.00 H new ATOM 189 N LEU A 17 0.960 5.847 -6.406 1.00 0.00 N ATOM 190 CA LEU A 17 2.069 5.902 -5.461 1.00 0.00 C ATOM 191 C LEU A 17 2.524 4.499 -5.074 1.00 0.00 C ATOM 192 O LEU A 17 1.718 3.591 -4.872 1.00 0.00 O ATOM 193 CB LEU A 17 1.661 6.682 -4.209 1.00 0.00 C ATOM 194 CG LEU A 17 1.063 8.064 -4.473 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.433 8.625 -3.208 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.128 9.011 -5.005 1.00 0.00 C ATOM 0 H LEU A 17 0.215 5.202 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 17 2.901 6.414 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.936 6.090 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.537 6.798 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 17 0.283 7.963 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.013 9.609 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.359 7.957 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.192 8.712 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.686 9.990 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.929 9.106 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.533 8.616 -5.937 1.00 0.00 H new ATOM 208 N PRO A 18 3.849 4.315 -4.969 1.00 0.00 N ATOM 209 CA PRO A 18 4.443 3.025 -4.605 1.00 0.00 C ATOM 210 C PRO A 18 4.176 2.653 -3.151 1.00 0.00 C ATOM 211 O PRO A 18 4.617 3.345 -2.232 1.00 0.00 O ATOM 212 CB PRO A 18 5.940 3.247 -4.835 1.00 0.00 C ATOM 213 CG PRO A 18 6.133 4.716 -4.687 1.00 0.00 C ATOM 214 CD PRO A 18 4.869 5.353 -5.195 1.00 0.00 C ATOM 0 HA PRO A 18 4.025 2.205 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.538 2.694 -4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.243 2.906 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.313 4.983 -3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.998 5.055 -5.257 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.636 6.270 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.948 5.616 -6.250 1.00 0.00 H new ATOM 222 N VAL A 19 3.453 1.557 -2.948 1.00 0.00 N ATOM 223 CA VAL A 19 3.130 1.092 -1.604 1.00 0.00 C ATOM 224 C VAL A 19 3.667 -0.314 -1.365 1.00 0.00 C ATOM 225 O VAL A 19 3.762 -1.121 -2.290 1.00 0.00 O ATOM 226 CB VAL A 19 1.609 1.097 -1.360 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.063 2.516 -1.420 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.904 0.203 -2.368 1.00 0.00 C ATOM 0 H VAL A 19 3.079 0.974 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 19 3.605 1.782 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 19 1.418 0.701 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.013 2.500 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.546 3.124 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.265 2.942 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.170 0.219 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.101 0.566 -3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.274 -0.818 -2.271 1.00 0.00 H new ATOM 238 N THR A 20 4.017 -0.604 -0.115 1.00 0.00 N ATOM 239 CA THR A 20 4.546 -1.913 0.247 1.00 0.00 C ATOM 240 C THR A 20 4.161 -2.285 1.674 1.00 0.00 C ATOM 241 O THR A 20 4.368 -1.507 2.606 1.00 0.00 O ATOM 242 CB THR A 20 6.080 -1.956 0.113 1.00 0.00 C ATOM 243 OG1 THR A 20 6.666 -0.866 0.834 1.00 0.00 O ATOM 244 CG2 THR A 20 6.498 -1.886 -1.348 1.00 0.00 C ATOM 0 H THR A 20 3.943 0.051 0.664 1.00 0.00 H new ATOM 0 HA THR A 20 4.109 -2.633 -0.444 1.00 0.00 H new ATOM 0 HB THR A 20 6.432 -2.899 0.531 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.048 -0.105 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.585 -1.918 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.075 -2.733 -1.888 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.134 -0.957 -1.787 1.00 0.00 H new ATOM 252 N CYS A 21 3.602 -3.479 1.838 1.00 0.00 N ATOM 253 CA CYS A 21 3.189 -3.955 3.154 1.00 0.00 C ATOM 254 C CYS A 21 3.814 -5.311 3.463 1.00 0.00 C ATOM 255 O CYS A 21 3.408 -6.334 2.913 1.00 0.00 O ATOM 256 CB CYS A 21 1.664 -4.054 3.227 1.00 0.00 C ATOM 257 SG CYS A 21 1.031 -4.490 4.863 1.00 0.00 S ATOM 0 H CYS A 21 3.424 -4.135 1.077 1.00 0.00 H new ATOM 0 HA CYS A 21 3.536 -3.238 3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.234 -3.099 2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.324 -4.799 2.507 1.00 0.00 H new ATOM 0 HG CYS A 21 0.429 -3.462 5.384 1.00 0.00 H new ATOM 263 N GLY A 22 4.808 -5.311 4.346 1.00 0.00 N ATOM 264 CA GLY A 22 5.475 -6.547 4.712 1.00 0.00 C ATOM 265 C GLY A 22 6.070 -7.261 3.514 1.00 0.00 C ATOM 266 O GLY A 22 7.092 -6.838 2.974 1.00 0.00 O ATOM 0 H GLY A 22 5.163 -4.477 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.265 -6.331 5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.764 -7.207 5.208 1.00 0.00 H new ATOM 270 N LYS A 23 5.430 -8.349 3.098 1.00 0.00 N ATOM 271 CA LYS A 23 5.901 -9.125 1.957 1.00 0.00 C ATOM 272 C LYS A 23 5.011 -8.897 0.740 1.00 0.00 C ATOM 273 O LYS A 23 5.053 -9.662 -0.223 1.00 0.00 O ATOM 274 CB LYS A 23 5.935 -10.614 2.306 1.00 0.00 C ATOM 275 CG LYS A 23 4.571 -11.191 2.644 1.00 0.00 C ATOM 276 CD LYS A 23 4.483 -12.664 2.280 1.00 0.00 C ATOM 277 CE LYS A 23 3.995 -12.858 0.853 1.00 0.00 C ATOM 278 NZ LYS A 23 4.085 -14.281 0.424 1.00 0.00 N ATOM 0 H LYS A 23 4.583 -8.713 3.535 1.00 0.00 H new ATOM 0 HA LYS A 23 6.910 -8.792 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.356 -11.166 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.604 -10.765 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.376 -11.066 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.798 -10.637 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.463 -13.128 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.807 -13.170 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.962 -12.520 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.586 -12.238 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.743 -14.371 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.074 -14.597 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.500 -14.870 1.051 1.00 0.00 H new ATOM 292 N ALA A 24 4.207 -7.840 0.789 1.00 0.00 N ATOM 293 CA ALA A 24 3.310 -7.510 -0.311 1.00 0.00 C ATOM 294 C ALA A 24 3.709 -6.193 -0.969 1.00 0.00 C ATOM 295 O ALA A 24 4.140 -5.256 -0.297 1.00 0.00 O ATOM 296 CB ALA A 24 1.873 -7.441 0.183 1.00 0.00 C ATOM 0 H ALA A 24 4.159 -7.197 1.580 1.00 0.00 H new ATOM 0 HA ALA A 24 3.388 -8.298 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.214 -7.194 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.585 -8.406 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.789 -6.674 0.953 1.00 0.00 H new ATOM 302 N LYS A 25 3.564 -6.129 -2.288 1.00 0.00 N ATOM 303 CA LYS A 25 3.909 -4.927 -3.039 1.00 0.00 C ATOM 304 C LYS A 25 2.813 -4.579 -4.041 1.00 0.00 C ATOM 305 O LYS A 25 2.281 -5.453 -4.723 1.00 0.00 O ATOM 306 CB LYS A 25 5.240 -5.121 -3.769 1.00 0.00 C ATOM 307 CG LYS A 25 6.377 -5.547 -2.857 1.00 0.00 C ATOM 308 CD LYS A 25 7.663 -5.770 -3.636 1.00 0.00 C ATOM 309 CE LYS A 25 7.768 -7.200 -4.142 1.00 0.00 C ATOM 310 NZ LYS A 25 7.965 -8.169 -3.029 1.00 0.00 N ATOM 0 H LYS A 25 3.210 -6.896 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 25 4.006 -4.103 -2.333 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.111 -5.871 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.512 -4.189 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.539 -4.784 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.103 -6.464 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.703 -5.081 -4.480 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.519 -5.544 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.863 -7.458 -4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.600 -7.277 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.410 -9.034 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.579 -7.745 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.044 -8.405 -2.608 1.00 0.00 H new ATOM 324 N GLY A 26 2.482 -3.294 -4.126 1.00 0.00 N ATOM 325 CA GLY A 26 1.452 -2.853 -5.049 1.00 0.00 C ATOM 326 C GLY A 26 1.563 -1.378 -5.379 1.00 0.00 C ATOM 327 O GLY A 26 2.650 -0.801 -5.325 1.00 0.00 O ATOM 0 H GLY A 26 2.908 -2.551 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.520 -3.434 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.471 -3.053 -4.617 1.00 0.00 H new ATOM 331 N THR A 27 0.436 -0.764 -5.726 1.00 0.00 N ATOM 332 CA THR A 27 0.411 0.652 -6.069 1.00 0.00 C ATOM 333 C THR A 27 -0.950 1.268 -5.766 1.00 0.00 C ATOM 334 O THR A 27 -1.979 0.788 -6.240 1.00 0.00 O ATOM 335 CB THR A 27 0.743 0.875 -7.557 1.00 0.00 C ATOM 336 OG1 THR A 27 2.044 0.355 -7.852 1.00 0.00 O ATOM 337 CG2 THR A 27 0.691 2.355 -7.907 1.00 0.00 C ATOM 0 H THR A 27 -0.472 -1.226 -5.777 1.00 0.00 H new ATOM 0 HA THR A 27 1.171 1.139 -5.457 1.00 0.00 H new ATOM 0 HB THR A 27 -0.002 0.350 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.247 0.499 -8.800 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.929 2.488 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.309 2.741 -7.709 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.416 2.898 -7.301 1.00 0.00 H new ATOM 345 N LEU A 28 -0.948 2.335 -4.974 1.00 0.00 N ATOM 346 CA LEU A 28 -2.183 3.018 -4.608 1.00 0.00 C ATOM 347 C LEU A 28 -2.566 4.053 -5.661 1.00 0.00 C ATOM 348 O LEU A 28 -1.725 4.822 -6.126 1.00 0.00 O ATOM 349 CB LEU A 28 -2.031 3.694 -3.243 1.00 0.00 C ATOM 350 CG LEU A 28 -3.126 4.703 -2.895 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.283 4.015 -2.190 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.563 5.822 -2.031 1.00 0.00 C ATOM 0 H LEU A 28 -0.105 2.745 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.977 2.274 -4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.011 2.923 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.067 4.202 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.500 5.138 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.052 4.750 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.703 3.249 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.925 3.552 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.355 6.531 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.162 5.403 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.768 6.335 -2.572 1.00 0.00 H new ATOM 364 N PHE A 29 -3.842 4.065 -6.033 1.00 0.00 N ATOM 365 CA PHE A 29 -4.337 5.005 -7.032 1.00 0.00 C ATOM 366 C PHE A 29 -5.303 6.006 -6.406 1.00 0.00 C ATOM 367 O PHE A 29 -6.465 5.689 -6.154 1.00 0.00 O ATOM 368 CB PHE A 29 -5.032 4.252 -8.170 1.00 0.00 C ATOM 369 CG PHE A 29 -4.096 3.416 -8.994 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.338 2.416 -8.406 1.00 0.00 C ATOM 371 CD2 PHE A 29 -3.974 3.629 -10.358 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.476 1.645 -9.162 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.113 2.861 -11.120 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.364 1.867 -10.521 1.00 0.00 C ATOM 0 H PHE A 29 -4.551 3.435 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.484 5.553 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.806 3.610 -7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.531 4.971 -8.819 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.422 2.237 -7.344 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.558 4.404 -10.831 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.890 0.869 -8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.026 3.038 -12.182 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.692 1.264 -11.114 1.00 0.00 H new ATOM 384 N GLN A 30 -4.812 7.216 -6.157 1.00 0.00 N ATOM 385 CA GLN A 30 -5.631 8.264 -5.558 1.00 0.00 C ATOM 386 C GLN A 30 -7.030 8.274 -6.164 1.00 0.00 C ATOM 387 O GLN A 30 -8.018 8.491 -5.463 1.00 0.00 O ATOM 388 CB GLN A 30 -4.969 9.630 -5.751 1.00 0.00 C ATOM 389 CG GLN A 30 -3.450 9.578 -5.731 1.00 0.00 C ATOM 390 CD GLN A 30 -2.822 10.944 -5.534 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.726 11.736 -6.472 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.392 11.226 -4.310 1.00 0.00 N ATOM 0 H GLN A 30 -3.852 7.495 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.718 8.058 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.297 10.053 -6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.312 10.305 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.123 8.913 -4.931 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.093 9.150 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.492 10.539 -3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.961 12.130 -4.116 1.00 0.00 H new ATOM 401 N GLU A 31 -7.106 8.037 -7.470 1.00 0.00 N ATOM 402 CA GLU A 31 -8.386 8.020 -8.170 1.00 0.00 C ATOM 403 C GLU A 31 -9.300 6.936 -7.606 1.00 0.00 C ATOM 404 O GLU A 31 -10.493 7.158 -7.400 1.00 0.00 O ATOM 405 CB GLU A 31 -8.171 7.792 -9.667 1.00 0.00 C ATOM 406 CG GLU A 31 -7.411 6.515 -9.986 1.00 0.00 C ATOM 407 CD GLU A 31 -7.419 6.186 -11.466 1.00 0.00 C ATOM 408 OE1 GLU A 31 -6.796 6.936 -12.245 1.00 0.00 O ATOM 409 OE2 GLU A 31 -8.050 5.176 -11.845 1.00 0.00 O ATOM 0 H GLU A 31 -6.297 7.854 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.864 8.988 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.141 7.761 -10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.627 8.641 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.380 6.615 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.851 5.686 -9.431 1.00 0.00 H new ATOM 416 N LYS A 32 -8.731 5.761 -7.357 1.00 0.00 N ATOM 417 CA LYS A 32 -9.492 4.641 -6.816 1.00 0.00 C ATOM 418 C LYS A 32 -9.555 4.711 -5.294 1.00 0.00 C ATOM 419 O LYS A 32 -10.234 3.908 -4.654 1.00 0.00 O ATOM 420 CB LYS A 32 -8.865 3.314 -7.251 1.00 0.00 C ATOM 421 CG LYS A 32 -9.295 2.864 -8.637 1.00 0.00 C ATOM 422 CD LYS A 32 -8.236 1.994 -9.294 1.00 0.00 C ATOM 423 CE LYS A 32 -8.663 1.553 -10.685 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.684 0.470 -10.635 1.00 0.00 N ATOM 0 H LYS A 32 -7.745 5.560 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.508 4.701 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.779 3.410 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.131 2.542 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.231 2.309 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.488 3.737 -9.260 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.298 2.546 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.048 1.117 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.066 2.407 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.791 1.205 -11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.949 0.197 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.291 -0.355 -10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.526 0.810 -10.129 1.00 0.00 H new ATOM 438 N LEU A 33 -8.844 5.675 -4.721 1.00 0.00 N ATOM 439 CA LEU A 33 -8.821 5.851 -3.273 1.00 0.00 C ATOM 440 C LEU A 33 -9.916 6.813 -2.823 1.00 0.00 C ATOM 441 O LEU A 33 -10.537 6.620 -1.778 1.00 0.00 O ATOM 442 CB LEU A 33 -7.453 6.370 -2.823 1.00 0.00 C ATOM 443 CG LEU A 33 -7.227 6.374 -1.312 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.367 4.969 -0.747 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.859 6.950 -0.979 1.00 0.00 C ATOM 0 H LEU A 33 -8.276 6.347 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.004 4.881 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.679 5.760 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.326 7.386 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.987 7.006 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.203 4.992 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.369 4.592 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.630 4.315 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.715 6.945 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.085 6.345 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.795 7.973 -1.349 1.00 0.00 H new ATOM 457 N LYS A 34 -10.148 7.850 -3.621 1.00 0.00 N ATOM 458 CA LYS A 34 -11.168 8.843 -3.307 1.00 0.00 C ATOM 459 C LYS A 34 -12.504 8.173 -3.002 1.00 0.00 C ATOM 460 O LYS A 34 -13.023 8.282 -1.891 1.00 0.00 O ATOM 461 CB LYS A 34 -11.332 9.821 -4.473 1.00 0.00 C ATOM 462 CG LYS A 34 -10.146 10.753 -4.656 1.00 0.00 C ATOM 463 CD LYS A 34 -10.493 11.928 -5.555 1.00 0.00 C ATOM 464 CE LYS A 34 -9.383 12.967 -5.568 1.00 0.00 C ATOM 465 NZ LYS A 34 -9.784 14.198 -6.303 1.00 0.00 N ATOM 0 H LYS A 34 -9.643 8.024 -4.490 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.845 9.391 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.484 9.255 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.231 10.417 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.819 11.122 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.310 10.200 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.671 11.571 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.420 12.388 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.116 13.226 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.493 12.541 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.000 14.881 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.014 13.955 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.618 14.619 -5.846 1.00 0.00 H new ATOM 479 N GLN A 35 -13.054 7.479 -3.993 1.00 0.00 N ATOM 480 CA GLN A 35 -14.329 6.791 -3.828 1.00 0.00 C ATOM 481 C GLN A 35 -14.460 6.218 -2.421 1.00 0.00 C ATOM 482 O GLN A 35 -15.444 6.467 -1.728 1.00 0.00 O ATOM 483 CB GLN A 35 -14.466 5.672 -4.863 1.00 0.00 C ATOM 484 CG GLN A 35 -14.545 6.175 -6.295 1.00 0.00 C ATOM 485 CD GLN A 35 -13.190 6.563 -6.853 1.00 0.00 C ATOM 486 OE1 GLN A 35 -12.693 7.661 -6.601 1.00 0.00 O ATOM 487 NE2 GLN A 35 -12.584 5.661 -7.617 1.00 0.00 N ATOM 0 H GLN A 35 -12.637 7.378 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.128 7.517 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.616 4.996 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.361 5.090 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.985 5.401 -6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.211 7.037 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.033 4.763 -7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.670 5.866 -8.021 1.00 0.00 H new ATOM 496 N GLY A 36 -13.459 5.447 -2.006 1.00 0.00 N ATOM 497 CA GLY A 36 -13.482 4.849 -0.684 1.00 0.00 C ATOM 498 C GLY A 36 -12.361 3.850 -0.479 1.00 0.00 C ATOM 499 O GLY A 36 -11.861 3.263 -1.438 1.00 0.00 O ATOM 0 H GLY A 36 -12.633 5.226 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.406 5.635 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.440 4.352 -0.530 1.00 0.00 H new ATOM 503 N ALA A 37 -11.964 3.657 0.775 1.00 0.00 N ATOM 504 CA ALA A 37 -10.895 2.721 1.102 1.00 0.00 C ATOM 505 C ALA A 37 -11.407 1.285 1.110 1.00 0.00 C ATOM 506 O ALA A 37 -10.726 0.376 1.587 1.00 0.00 O ATOM 507 CB ALA A 37 -10.281 3.073 2.448 1.00 0.00 C ATOM 0 H ALA A 37 -12.366 4.136 1.581 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.127 2.800 0.333 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.484 2.366 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.871 4.082 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.047 3.023 3.222 1.00 0.00 H new ATOM 513 N SER A 38 -12.609 1.086 0.581 1.00 0.00 N ATOM 514 CA SER A 38 -13.214 -0.240 0.532 1.00 0.00 C ATOM 515 C SER A 38 -13.135 -0.821 -0.877 1.00 0.00 C ATOM 516 O SER A 38 -13.345 -2.017 -1.081 1.00 0.00 O ATOM 517 CB SER A 38 -14.672 -0.176 0.988 1.00 0.00 C ATOM 518 OG SER A 38 -14.760 0.078 2.380 1.00 0.00 O ATOM 0 H SER A 38 -13.184 1.827 0.180 1.00 0.00 H new ATOM 0 HA SER A 38 -12.658 -0.891 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.194 0.607 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.171 -1.116 0.754 1.00 0.00 H new ATOM 0 HG SER A 38 -15.702 0.116 2.647 1.00 0.00 H new ATOM 524 N LYS A 39 -12.831 0.035 -1.847 1.00 0.00 N ATOM 525 CA LYS A 39 -12.722 -0.391 -3.237 1.00 0.00 C ATOM 526 C LYS A 39 -11.274 -0.707 -3.598 1.00 0.00 C ATOM 527 O LYS A 39 -10.350 -0.028 -3.151 1.00 0.00 O ATOM 528 CB LYS A 39 -13.266 0.695 -4.168 1.00 0.00 C ATOM 529 CG LYS A 39 -14.754 0.949 -4.003 1.00 0.00 C ATOM 530 CD LYS A 39 -15.029 1.949 -2.891 1.00 0.00 C ATOM 531 CE LYS A 39 -16.423 1.768 -2.311 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.650 2.645 -1.129 1.00 0.00 N ATOM 0 H LYS A 39 -12.656 1.028 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.314 -1.298 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.725 1.623 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.067 0.409 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.166 1.323 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.262 0.010 -3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.287 1.830 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.923 2.963 -3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.167 1.990 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.564 0.726 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.586 2.444 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.915 2.463 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.608 3.642 -1.423 1.00 0.00 H new ATOM 546 N LYS A 40 -11.084 -1.741 -4.411 1.00 0.00 N ATOM 547 CA LYS A 40 -9.749 -2.146 -4.835 1.00 0.00 C ATOM 548 C LYS A 40 -9.008 -0.981 -5.484 1.00 0.00 C ATOM 549 O LYS A 40 -9.293 -0.610 -6.623 1.00 0.00 O ATOM 550 CB LYS A 40 -9.837 -3.318 -5.814 1.00 0.00 C ATOM 551 CG LYS A 40 -10.707 -4.460 -5.320 1.00 0.00 C ATOM 552 CD LYS A 40 -9.884 -5.526 -4.617 1.00 0.00 C ATOM 553 CE LYS A 40 -10.749 -6.692 -4.165 1.00 0.00 C ATOM 554 NZ LYS A 40 -12.083 -6.238 -3.682 1.00 0.00 N ATOM 0 H LYS A 40 -11.838 -2.314 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.193 -2.460 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.231 -2.958 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.833 -3.695 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.463 -4.073 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.237 -4.905 -6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.106 -5.888 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.382 -5.089 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.880 -7.389 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.240 -7.235 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.331 -6.753 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.051 -5.218 -3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.799 -6.426 -4.413 1.00 0.00 H new ATOM 568 N CYS A 41 -8.056 -0.411 -4.754 1.00 0.00 N ATOM 569 CA CYS A 41 -7.273 0.711 -5.260 1.00 0.00 C ATOM 570 C CYS A 41 -5.799 0.337 -5.374 1.00 0.00 C ATOM 571 O CYS A 41 -5.061 0.919 -6.170 1.00 0.00 O ATOM 572 CB CYS A 41 -7.435 1.926 -4.345 1.00 0.00 C ATOM 573 SG CYS A 41 -7.119 1.582 -2.598 1.00 0.00 S ATOM 0 H CYS A 41 -7.808 -0.707 -3.810 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.643 0.962 -6.254 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.756 2.711 -4.678 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.448 2.314 -4.450 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.107 0.896 -2.105 1.00 0.00 H new ATOM 579 N ILE A 42 -5.376 -0.634 -4.573 1.00 0.00 N ATOM 580 CA ILE A 42 -3.990 -1.084 -4.584 1.00 0.00 C ATOM 581 C ILE A 42 -3.768 -2.155 -5.646 1.00 0.00 C ATOM 582 O ILE A 42 -4.329 -3.248 -5.566 1.00 0.00 O ATOM 583 CB ILE A 42 -3.568 -1.643 -3.212 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.654 -0.551 -2.144 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.159 -2.213 -3.282 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.524 -1.076 -0.731 1.00 0.00 C ATOM 0 H ILE A 42 -5.973 -1.125 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.378 -0.213 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.251 -2.447 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.869 0.184 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.607 -0.031 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.876 -2.604 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.128 -3.017 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.463 -1.427 -3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.594 -0.247 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.324 -1.789 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.560 -1.571 -0.614 1.00 0.00 H new ATOM 598 N GLN A 43 -2.945 -1.834 -6.640 1.00 0.00 N ATOM 599 CA GLN A 43 -2.649 -2.770 -7.718 1.00 0.00 C ATOM 600 C GLN A 43 -1.317 -3.473 -7.478 1.00 0.00 C ATOM 601 O GLN A 43 -0.274 -2.828 -7.373 1.00 0.00 O ATOM 602 CB GLN A 43 -2.619 -2.040 -9.062 1.00 0.00 C ATOM 603 CG GLN A 43 -2.822 -2.956 -10.257 1.00 0.00 C ATOM 604 CD GLN A 43 -2.659 -2.235 -11.580 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.729 -1.448 -11.761 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.564 -2.500 -12.515 1.00 0.00 N ATOM 0 H GLN A 43 -2.472 -0.934 -6.721 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.438 -3.522 -7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.394 -1.273 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.663 -1.527 -9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.108 -3.778 -10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.818 -3.396 -10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.318 -3.159 -12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.505 -2.045 -13.426 1.00 0.00 H new ATOM 615 N ASN A 44 -1.360 -4.798 -7.390 1.00 0.00 N ATOM 616 CA ASN A 44 -0.156 -5.589 -7.161 1.00 0.00 C ATOM 617 C ASN A 44 0.654 -5.732 -8.446 1.00 0.00 C ATOM 618 O ASN A 44 0.218 -5.307 -9.516 1.00 0.00 O ATOM 619 CB ASN A 44 -0.524 -6.972 -6.621 1.00 0.00 C ATOM 620 CG ASN A 44 -1.080 -7.884 -7.697 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.142 -7.514 -8.869 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.489 -9.084 -7.302 1.00 0.00 N ATOM 0 H ASN A 44 -2.216 -5.347 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 44 0.455 -5.069 -6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.359 -7.433 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.260 -6.864 -5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.873 -9.741 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.419 -9.349 -6.319 1.00 0.00 H new ATOM 629 N GLU A 45 1.834 -6.333 -8.332 1.00 0.00 N ATOM 630 CA GLU A 45 2.704 -6.531 -9.485 1.00 0.00 C ATOM 631 C GLU A 45 1.991 -7.328 -10.574 1.00 0.00 C ATOM 632 O GLU A 45 2.308 -7.204 -11.757 1.00 0.00 O ATOM 633 CB GLU A 45 3.986 -7.254 -9.066 1.00 0.00 C ATOM 634 CG GLU A 45 4.782 -6.514 -8.004 1.00 0.00 C ATOM 635 CD GLU A 45 5.791 -5.549 -8.597 1.00 0.00 C ATOM 636 OE1 GLU A 45 5.371 -4.487 -9.101 1.00 0.00 O ATOM 637 OE2 GLU A 45 7.001 -5.857 -8.557 1.00 0.00 O ATOM 0 H GLU A 45 2.209 -6.691 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 45 2.962 -5.551 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.729 -8.245 -8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.615 -7.399 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.096 -5.965 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.302 -7.237 -7.376 1.00 0.00 H new ATOM 644 N ALA A 46 1.027 -8.146 -10.165 1.00 0.00 N ATOM 645 CA ALA A 46 0.268 -8.962 -11.105 1.00 0.00 C ATOM 646 C ALA A 46 -0.867 -8.162 -11.735 1.00 0.00 C ATOM 647 O ALA A 46 -1.677 -8.702 -12.486 1.00 0.00 O ATOM 648 CB ALA A 46 -0.279 -10.199 -10.407 1.00 0.00 C ATOM 0 H ALA A 46 0.753 -8.261 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 46 0.942 -9.276 -11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.844 -10.799 -11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.548 -10.789 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.933 -9.896 -9.590 1.00 0.00 H new ATOM 654 N GLY A 47 -0.919 -6.871 -11.422 1.00 0.00 N ATOM 655 CA GLY A 47 -1.959 -6.017 -11.965 1.00 0.00 C ATOM 656 C GLY A 47 -3.267 -6.145 -11.210 1.00 0.00 C ATOM 657 O GLY A 47 -4.130 -5.271 -11.298 1.00 0.00 O ATOM 0 H GLY A 47 -0.259 -6.401 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.626 -4.980 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.122 -6.269 -13.013 1.00 0.00 H new ATOM 661 N ASP A 48 -3.416 -7.237 -10.469 1.00 0.00 N ATOM 662 CA ASP A 48 -4.629 -7.477 -9.696 1.00 0.00 C ATOM 663 C ASP A 48 -4.777 -6.445 -8.582 1.00 0.00 C ATOM 664 O ASP A 48 -3.873 -6.264 -7.766 1.00 0.00 O ATOM 665 CB ASP A 48 -4.611 -8.886 -9.102 1.00 0.00 C ATOM 666 CG ASP A 48 -4.872 -9.957 -10.144 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.978 -9.964 -10.722 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.970 -10.788 -10.380 1.00 0.00 O ATOM 0 H ASP A 48 -2.712 -7.970 -10.387 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.482 -7.385 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.644 -9.067 -8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.364 -8.956 -8.317 1.00 0.00 H new ATOM 673 N TRP A 49 -5.921 -5.770 -8.556 1.00 0.00 N ATOM 674 CA TRP A 49 -6.186 -4.755 -7.543 1.00 0.00 C ATOM 675 C TRP A 49 -6.586 -5.397 -6.220 1.00 0.00 C ATOM 676 O TRP A 49 -7.054 -6.535 -6.188 1.00 0.00 O ATOM 677 CB TRP A 49 -7.289 -3.807 -8.018 1.00 0.00 C ATOM 678 CG TRP A 49 -6.947 -3.086 -9.286 1.00 0.00 C ATOM 679 CD1 TRP A 49 -6.995 -3.590 -10.555 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.502 -1.730 -9.408 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.607 -2.629 -11.457 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.301 -1.479 -10.779 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.257 -0.703 -8.492 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.864 -0.245 -11.253 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.824 0.521 -8.964 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.632 0.743 -10.335 1.00 0.00 C ATOM 0 H TRP A 49 -6.679 -5.907 -9.224 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.270 -4.186 -7.386 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.207 -4.375 -8.168 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.491 -3.075 -7.236 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.294 -4.596 -10.811 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.555 -2.752 -12.468 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.404 -0.864 -7.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.713 -0.073 -12.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.630 1.321 -8.265 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.295 1.712 -10.673 1.00 0.00 H new ATOM 697 N LEU A 50 -6.398 -4.662 -5.129 1.00 0.00 N ATOM 698 CA LEU A 50 -6.740 -5.161 -3.802 1.00 0.00 C ATOM 699 C LEU A 50 -7.229 -4.029 -2.904 1.00 0.00 C ATOM 700 O LEU A 50 -6.756 -2.896 -3.000 1.00 0.00 O ATOM 701 CB LEU A 50 -5.529 -5.846 -3.165 1.00 0.00 C ATOM 702 CG LEU A 50 -4.935 -6.997 -3.978 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.442 -7.119 -3.719 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.643 -8.302 -3.648 1.00 0.00 C ATOM 0 H LEU A 50 -6.011 -3.718 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.545 -5.888 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.753 -5.099 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.819 -6.225 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.083 -6.783 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.037 -7.943 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.946 -6.192 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.271 -7.310 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.208 -9.111 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.526 -8.521 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.703 -8.211 -3.885 1.00 0.00 H new ATOM 716 N THR A 51 -8.181 -4.343 -2.031 1.00 0.00 N ATOM 717 CA THR A 51 -8.736 -3.354 -1.116 1.00 0.00 C ATOM 718 C THR A 51 -7.716 -2.951 -0.057 1.00 0.00 C ATOM 719 O THR A 51 -6.903 -3.766 0.378 1.00 0.00 O ATOM 720 CB THR A 51 -10.003 -3.882 -0.418 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.673 -4.999 0.415 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.051 -4.298 -1.440 1.00 0.00 C ATOM 0 H THR A 51 -8.584 -5.275 -1.939 1.00 0.00 H new ATOM 0 HA THR A 51 -8.998 -2.482 -1.715 1.00 0.00 H new ATOM 0 HB THR A 51 -10.414 -3.080 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.405 -5.650 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.937 -4.667 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.321 -3.439 -2.054 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.647 -5.086 -2.076 1.00 0.00 H new ATOM 730 N VAL A 52 -7.766 -1.688 0.355 1.00 0.00 N ATOM 731 CA VAL A 52 -6.847 -1.177 1.366 1.00 0.00 C ATOM 732 C VAL A 52 -6.594 -2.215 2.453 1.00 0.00 C ATOM 733 O VAL A 52 -5.546 -2.211 3.100 1.00 0.00 O ATOM 734 CB VAL A 52 -7.387 0.110 2.016 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.396 0.651 3.035 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.695 1.155 0.954 1.00 0.00 C ATOM 0 H VAL A 52 -8.433 -1.000 0.005 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.910 -0.952 0.857 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.314 -0.129 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.795 1.561 3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.230 -0.095 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.451 0.875 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.076 2.058 1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.785 1.392 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.445 0.765 0.266 1.00 0.00 H new ATOM 746 N LYS A 53 -7.561 -3.105 2.650 1.00 0.00 N ATOM 747 CA LYS A 53 -7.444 -4.152 3.659 1.00 0.00 C ATOM 748 C LYS A 53 -6.735 -5.378 3.091 1.00 0.00 C ATOM 749 O LYS A 53 -5.782 -5.884 3.682 1.00 0.00 O ATOM 750 CB LYS A 53 -8.828 -4.545 4.178 1.00 0.00 C ATOM 751 CG LYS A 53 -8.787 -5.395 5.437 1.00 0.00 C ATOM 752 CD LYS A 53 -10.010 -6.289 5.546 1.00 0.00 C ATOM 753 CE LYS A 53 -11.141 -5.598 6.292 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.820 -5.407 7.733 1.00 0.00 N ATOM 0 H LYS A 53 -8.435 -3.122 2.124 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.850 -3.761 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.402 -3.640 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.358 -5.092 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.886 -6.008 5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.729 -4.748 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.348 -6.568 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.743 -7.211 6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.340 -4.630 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.052 -6.189 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.702 -5.308 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.289 -6.230 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.244 -4.549 7.850 1.00 0.00 H new ATOM 768 N GLU A 54 -7.207 -5.848 1.940 1.00 0.00 N ATOM 769 CA GLU A 54 -6.617 -7.014 1.293 1.00 0.00 C ATOM 770 C GLU A 54 -5.098 -6.886 1.221 1.00 0.00 C ATOM 771 O GLU A 54 -4.367 -7.726 1.746 1.00 0.00 O ATOM 772 CB GLU A 54 -7.192 -7.190 -0.114 1.00 0.00 C ATOM 773 CG GLU A 54 -8.426 -8.075 -0.160 1.00 0.00 C ATOM 774 CD GLU A 54 -9.417 -7.753 0.943 1.00 0.00 C ATOM 775 OE1 GLU A 54 -9.081 -7.972 2.125 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.528 -7.282 0.622 1.00 0.00 O ATOM 0 H GLU A 54 -7.995 -5.440 1.437 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.863 -7.892 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.442 -6.210 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.425 -7.616 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.915 -7.960 -1.127 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.123 -9.119 -0.078 1.00 0.00 H new ATOM 783 N PHE A 55 -4.630 -5.828 0.565 1.00 0.00 N ATOM 784 CA PHE A 55 -3.198 -5.590 0.422 1.00 0.00 C ATOM 785 C PHE A 55 -2.454 -5.963 1.701 1.00 0.00 C ATOM 786 O PHE A 55 -1.413 -6.618 1.657 1.00 0.00 O ATOM 787 CB PHE A 55 -2.937 -4.123 0.076 1.00 0.00 C ATOM 788 CG PHE A 55 -1.492 -3.821 -0.203 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.795 -4.533 -1.165 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.830 -2.826 0.499 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.535 -4.258 -1.424 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.499 -2.546 0.244 1.00 0.00 C ATOM 793 CZ PHE A 55 1.183 -3.264 -0.718 1.00 0.00 C ATOM 0 H PHE A 55 -5.221 -5.123 0.125 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.829 -6.219 -0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.532 -3.852 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.278 -3.497 0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.296 -5.312 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.359 -2.263 1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.066 -4.820 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.003 -1.766 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.222 -3.048 -0.917 1.00 0.00 H new ATOM 803 N LEU A 56 -2.996 -5.541 2.838 1.00 0.00 N ATOM 804 CA LEU A 56 -2.384 -5.830 4.130 1.00 0.00 C ATOM 805 C LEU A 56 -2.334 -7.333 4.385 1.00 0.00 C ATOM 806 O LEU A 56 -1.283 -7.883 4.710 1.00 0.00 O ATOM 807 CB LEU A 56 -3.160 -5.136 5.252 1.00 0.00 C ATOM 808 CG LEU A 56 -3.532 -3.679 4.976 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.380 -3.120 6.108 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.280 -2.838 4.780 1.00 0.00 C ATOM 0 H LEU A 56 -3.858 -4.998 2.891 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.363 -5.449 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.074 -5.699 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.564 -5.177 6.164 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.119 -3.642 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.635 -2.082 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.294 -3.706 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.820 -3.171 7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.563 -1.804 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.667 -2.882 5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.711 -3.224 3.934 1.00 0.00 H new ATOM 822 N ASN A 57 -3.478 -7.991 4.234 1.00 0.00 N ATOM 823 CA ASN A 57 -3.566 -9.431 4.448 1.00 0.00 C ATOM 824 C ASN A 57 -2.472 -10.163 3.677 1.00 0.00 C ATOM 825 O ASN A 57 -1.888 -11.126 4.173 1.00 0.00 O ATOM 826 CB ASN A 57 -4.941 -9.949 4.021 1.00 0.00 C ATOM 827 CG ASN A 57 -5.384 -11.151 4.832 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.558 -11.888 5.372 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.693 -11.355 4.921 1.00 0.00 N ATOM 0 H ASN A 57 -4.357 -7.550 3.964 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.428 -9.624 5.512 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.676 -9.151 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.913 -10.217 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.050 -12.148 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.341 -10.718 4.457 1.00 0.00 H new ATOM 836 N GLU A 58 -2.200 -9.698 2.461 1.00 0.00 N ATOM 837 CA GLU A 58 -1.176 -10.310 1.622 1.00 0.00 C ATOM 838 C GLU A 58 0.166 -10.356 2.347 1.00 0.00 C ATOM 839 O GLU A 58 0.951 -11.285 2.164 1.00 0.00 O ATOM 840 CB GLU A 58 -1.033 -9.537 0.309 1.00 0.00 C ATOM 841 CG GLU A 58 -1.923 -10.059 -0.805 1.00 0.00 C ATOM 842 CD GLU A 58 -1.248 -11.133 -1.636 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.340 -12.320 -1.260 1.00 0.00 O ATOM 844 OE2 GLU A 58 -0.629 -10.785 -2.663 1.00 0.00 O ATOM 0 H GLU A 58 -2.674 -8.901 2.036 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.485 -11.332 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.267 -8.488 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.006 -9.581 -0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.840 -10.461 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.211 -9.231 -1.453 1.00 0.00 H new ATOM 851 N GLY A 59 0.422 -9.344 3.171 1.00 0.00 N ATOM 852 CA GLY A 59 1.669 -9.287 3.911 1.00 0.00 C ATOM 853 C GLY A 59 1.550 -9.893 5.295 1.00 0.00 C ATOM 854 O GLY A 59 2.490 -10.511 5.793 1.00 0.00 O ATOM 0 H GLY A 59 -0.212 -8.563 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.443 -9.813 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.989 -8.249 3.999 1.00 0.00 H new ATOM 858 N GLY A 60 0.390 -9.714 5.920 1.00 0.00 N ATOM 859 CA GLY A 60 0.173 -10.252 7.251 1.00 0.00 C ATOM 860 C GLY A 60 -0.146 -9.174 8.267 1.00 0.00 C ATOM 861 O GLY A 60 0.205 -9.294 9.441 1.00 0.00 O ATOM 0 H GLY A 60 -0.403 -9.206 5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.645 -10.971 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.063 -10.795 7.569 1.00 0.00 H new ATOM 865 N ARG A 61 -0.811 -8.116 7.816 1.00 0.00 N ATOM 866 CA ARG A 61 -1.175 -7.010 8.694 1.00 0.00 C ATOM 867 C ARG A 61 -2.691 -6.857 8.776 1.00 0.00 C ATOM 868 O ARG A 61 -3.198 -5.813 9.185 1.00 0.00 O ATOM 869 CB ARG A 61 -0.546 -5.707 8.196 1.00 0.00 C ATOM 870 CG ARG A 61 0.930 -5.577 8.531 1.00 0.00 C ATOM 871 CD ARG A 61 1.141 -5.235 9.998 1.00 0.00 C ATOM 872 NE ARG A 61 2.458 -5.650 10.473 1.00 0.00 N ATOM 873 CZ ARG A 61 2.735 -6.881 10.889 1.00 0.00 C ATOM 874 NH1 ARG A 61 1.792 -7.813 10.887 1.00 0.00 N ATOM 875 NH2 ARG A 61 3.958 -7.182 11.307 1.00 0.00 N ATOM 0 H ARG A 61 -1.109 -8.001 6.847 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.795 -7.231 9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.672 -5.643 7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.084 -4.864 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.441 -6.511 8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.379 -4.803 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.027 -4.160 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.370 -5.719 10.598 1.00 0.00 H new ATOM 0 HE ARG A 61 3.206 -4.957 10.486 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.851 -7.586 10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.008 -8.757 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.686 -6.468 11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.170 -8.127 11.626 1.00 0.00 H new ATOM 889 N ALA A 62 -3.409 -7.905 8.385 1.00 0.00 N ATOM 890 CA ALA A 62 -4.866 -7.888 8.416 1.00 0.00 C ATOM 891 C ALA A 62 -5.381 -7.430 9.776 1.00 0.00 C ATOM 892 O ALA A 62 -6.379 -6.715 9.866 1.00 0.00 O ATOM 893 CB ALA A 62 -5.417 -9.264 8.076 1.00 0.00 C ATOM 0 H ALA A 62 -3.005 -8.777 8.043 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.213 -7.175 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.506 -9.237 8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.086 -9.552 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.054 -9.991 8.803 1.00 0.00 H new ATOM 899 N THR A 63 -4.694 -7.848 10.835 1.00 0.00 N ATOM 900 CA THR A 63 -5.083 -7.483 12.191 1.00 0.00 C ATOM 901 C THR A 63 -4.944 -5.981 12.417 1.00 0.00 C ATOM 902 O THR A 63 -5.730 -5.379 13.149 1.00 0.00 O ATOM 903 CB THR A 63 -4.235 -8.228 13.239 1.00 0.00 C ATOM 904 OG1 THR A 63 -2.845 -7.959 13.026 1.00 0.00 O ATOM 905 CG2 THR A 63 -4.483 -9.728 13.167 1.00 0.00 C ATOM 0 H THR A 63 -3.865 -8.440 10.779 1.00 0.00 H new ATOM 0 HA THR A 63 -6.128 -7.771 12.308 1.00 0.00 H new ATOM 0 HB THR A 63 -4.525 -7.874 14.228 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.313 -8.435 13.697 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.874 -10.234 13.916 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.537 -9.932 13.358 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.217 -10.094 12.175 1.00 0.00 H new ATOM 913 N SER A 64 -3.941 -5.382 11.784 1.00 0.00 N ATOM 914 CA SER A 64 -3.698 -3.951 11.919 1.00 0.00 C ATOM 915 C SER A 64 -4.961 -3.154 11.609 1.00 0.00 C ATOM 916 O SER A 64 -5.788 -3.569 10.797 1.00 0.00 O ATOM 917 CB SER A 64 -2.564 -3.515 10.989 1.00 0.00 C ATOM 918 OG SER A 64 -3.045 -3.270 9.679 1.00 0.00 O ATOM 0 H SER A 64 -3.283 -5.866 11.172 1.00 0.00 H new ATOM 0 HA SER A 64 -3.408 -3.752 12.951 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.094 -2.614 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.796 -4.288 10.959 1.00 0.00 H new ATOM 0 HG SER A 64 -3.110 -4.117 9.191 1.00 0.00 H new ATOM 924 N LYS A 65 -5.103 -2.005 12.261 1.00 0.00 N ATOM 925 CA LYS A 65 -6.264 -1.146 12.056 1.00 0.00 C ATOM 926 C LYS A 65 -5.950 -0.037 11.057 1.00 0.00 C ATOM 927 O LYS A 65 -6.669 0.150 10.075 1.00 0.00 O ATOM 928 CB LYS A 65 -6.715 -0.538 13.385 1.00 0.00 C ATOM 929 CG LYS A 65 -7.191 -1.568 14.395 1.00 0.00 C ATOM 930 CD LYS A 65 -6.941 -1.107 15.821 1.00 0.00 C ATOM 931 CE LYS A 65 -7.297 -2.191 16.827 1.00 0.00 C ATOM 932 NZ LYS A 65 -6.658 -1.950 18.151 1.00 0.00 N ATOM 0 H LYS A 65 -4.428 -1.647 12.937 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.071 -1.757 11.651 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.888 0.026 13.816 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.520 0.172 13.196 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.256 -1.753 14.253 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.677 -2.513 14.222 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.893 -0.831 15.937 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.530 -0.213 16.024 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.379 -2.233 16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.982 -3.161 16.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.925 -2.710 18.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.624 -1.935 18.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.978 -1.036 18.530 1.00 0.00 H new ATOM 946 N ASP A 66 -4.872 0.696 11.313 1.00 0.00 N ATOM 947 CA ASP A 66 -4.462 1.786 10.435 1.00 0.00 C ATOM 948 C ASP A 66 -3.613 1.263 9.281 1.00 0.00 C ATOM 949 O ASP A 66 -2.501 0.777 9.485 1.00 0.00 O ATOM 950 CB ASP A 66 -3.680 2.837 11.224 1.00 0.00 C ATOM 951 CG ASP A 66 -3.143 3.945 10.338 1.00 0.00 C ATOM 952 OD1 ASP A 66 -3.887 4.402 9.445 1.00 0.00 O ATOM 953 OD2 ASP A 66 -1.980 4.353 10.536 1.00 0.00 O ATOM 0 H ASP A 66 -4.266 0.555 12.121 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.360 2.246 10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.326 3.268 11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.850 2.356 11.742 1.00 0.00 H new ATOM 958 N TRP A 67 -4.146 1.365 8.068 1.00 0.00 N ATOM 959 CA TRP A 67 -3.437 0.901 6.881 1.00 0.00 C ATOM 960 C TRP A 67 -2.354 1.893 6.471 1.00 0.00 C ATOM 961 O TRP A 67 -1.359 1.520 5.849 1.00 0.00 O ATOM 962 CB TRP A 67 -4.418 0.692 5.726 1.00 0.00 C ATOM 963 CG TRP A 67 -5.280 1.887 5.454 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.444 2.219 6.087 1.00 0.00 C ATOM 965 CD2 TRP A 67 -5.047 2.908 4.478 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.948 3.384 5.562 1.00 0.00 N ATOM 967 CE2 TRP A 67 -6.109 3.827 4.575 1.00 0.00 C ATOM 968 CE3 TRP A 67 -4.043 3.136 3.533 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.195 4.954 3.761 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.129 4.254 2.726 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.198 5.152 2.844 1.00 0.00 C ATOM 0 H TRP A 67 -5.066 1.764 7.881 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.960 -0.049 7.121 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.858 0.444 4.824 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.056 -0.163 5.951 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.901 1.650 6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.808 3.845 5.859 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.214 2.450 3.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.019 5.647 3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.359 4.439 1.992 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.236 6.017 2.199 1.00 0.00 H new ATOM 982 N LYS A 68 -2.554 3.159 6.822 1.00 0.00 N ATOM 983 CA LYS A 68 -1.594 4.205 6.492 1.00 0.00 C ATOM 984 C LYS A 68 -0.289 4.007 7.256 1.00 0.00 C ATOM 985 O LYS A 68 0.765 4.487 6.840 1.00 0.00 O ATOM 986 CB LYS A 68 -2.180 5.583 6.811 1.00 0.00 C ATOM 987 CG LYS A 68 -3.356 5.962 5.928 1.00 0.00 C ATOM 988 CD LYS A 68 -4.046 7.220 6.429 1.00 0.00 C ATOM 989 CE LYS A 68 -4.940 7.829 5.360 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.624 9.060 5.844 1.00 0.00 N ATOM 0 H LYS A 68 -3.373 3.485 7.335 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.382 4.145 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.498 5.601 7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.398 6.335 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.010 6.118 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.071 5.140 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.641 6.983 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.297 7.949 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.343 8.068 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.686 7.097 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.224 9.445 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.214 8.828 6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.913 9.768 6.116 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.366 3.295 8.377 1.00 0.00 N ATOM 1005 CA GLY A 69 0.816 3.045 9.180 1.00 0.00 C ATOM 1006 C GLY A 69 1.546 1.785 8.761 1.00 0.00 C ATOM 1007 O GLY A 69 2.776 1.758 8.711 1.00 0.00 O ATOM 0 H GLY A 69 -1.226 2.887 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.492 3.896 9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.529 2.963 10.228 1.00 0.00 H new ATOM 1011 N VAL A 70 0.787 0.736 8.460 1.00 0.00 N ATOM 1012 CA VAL A 70 1.369 -0.535 8.043 1.00 0.00 C ATOM 1013 C VAL A 70 1.985 -0.427 6.653 1.00 0.00 C ATOM 1014 O VAL A 70 3.058 -0.973 6.395 1.00 0.00 O ATOM 1015 CB VAL A 70 0.318 -1.660 8.041 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.175 -1.933 9.454 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.841 -1.304 7.123 1.00 0.00 C ATOM 0 H VAL A 70 -0.232 0.741 8.497 1.00 0.00 H new ATOM 0 HA VAL A 70 2.149 -0.778 8.765 1.00 0.00 H new ATOM 0 HB VAL A 70 0.785 -2.569 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.917 -2.731 9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.664 -2.235 10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.626 -1.029 9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.574 -2.110 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.309 -0.383 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.471 -1.164 6.107 1.00 0.00 H new ATOM 1027 N ILE A 71 1.300 0.280 5.761 1.00 0.00 N ATOM 1028 CA ILE A 71 1.781 0.461 4.397 1.00 0.00 C ATOM 1029 C ILE A 71 2.829 1.566 4.325 1.00 0.00 C ATOM 1030 O ILE A 71 2.644 2.648 4.883 1.00 0.00 O ATOM 1031 CB ILE A 71 0.628 0.799 3.434 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.417 -0.319 3.442 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.161 1.022 2.027 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.671 0.020 2.667 1.00 0.00 C ATOM 0 H ILE A 71 0.410 0.737 5.958 1.00 0.00 H new ATOM 0 HA ILE A 71 2.232 -0.484 4.094 1.00 0.00 H new ATOM 0 HB ILE A 71 0.151 1.719 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.026 -1.222 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.687 -0.545 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.334 1.260 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.872 1.849 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.660 0.117 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.367 -0.818 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.138 0.905 3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.413 0.217 1.626 1.00 0.00 H new ATOM 1046 N ARG A 72 3.929 1.287 3.634 1.00 0.00 N ATOM 1047 CA ARG A 72 5.006 2.258 3.488 1.00 0.00 C ATOM 1048 C ARG A 72 5.273 2.557 2.016 1.00 0.00 C ATOM 1049 O ARG A 72 5.322 1.648 1.186 1.00 0.00 O ATOM 1050 CB ARG A 72 6.282 1.739 4.153 1.00 0.00 C ATOM 1051 CG ARG A 72 6.091 1.338 5.607 1.00 0.00 C ATOM 1052 CD ARG A 72 7.399 0.883 6.236 1.00 0.00 C ATOM 1053 NE ARG A 72 7.679 -0.524 5.960 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.456 -1.282 6.725 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.028 -0.772 7.807 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.663 -2.554 6.408 1.00 0.00 N ATOM 0 H ARG A 72 4.098 0.396 3.166 1.00 0.00 H new ATOM 0 HA ARG A 72 4.698 3.181 3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.650 0.879 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.051 2.509 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.690 2.182 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.357 0.535 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.216 1.496 5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.357 1.040 7.314 1.00 0.00 H new ATOM 0 HE ARG A 72 7.255 -0.947 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.872 0.205 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.624 -1.357 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.225 -2.950 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.260 -3.136 6.996 1.00 0.00 H new ATOM 1070 N CYS A 73 5.445 3.836 1.699 1.00 0.00 N ATOM 1071 CA CYS A 73 5.705 4.255 0.326 1.00 0.00 C ATOM 1072 C CYS A 73 7.087 4.889 0.205 1.00 0.00 C ATOM 1073 O CYS A 73 7.320 5.992 0.699 1.00 0.00 O ATOM 1074 CB CYS A 73 4.635 5.243 -0.139 1.00 0.00 C ATOM 1075 SG CYS A 73 5.046 6.109 -1.672 1.00 0.00 S ATOM 0 H CYS A 73 5.409 4.600 2.374 1.00 0.00 H new ATOM 0 HA CYS A 73 5.673 3.371 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.696 4.707 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.468 5.979 0.648 1.00 0.00 H new ATOM 0 HG CYS A 73 4.080 6.920 -1.984 1.00 0.00 H new ATOM 1081 N ASN A 74 8.000 4.184 -0.455 1.00 0.00 N ATOM 1082 CA ASN A 74 9.360 4.677 -0.639 1.00 0.00 C ATOM 1083 C ASN A 74 10.096 4.756 0.695 1.00 0.00 C ATOM 1084 O ASN A 74 10.947 5.621 0.896 1.00 0.00 O ATOM 1085 CB ASN A 74 9.340 6.055 -1.305 1.00 0.00 C ATOM 1086 CG ASN A 74 8.574 6.053 -2.614 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.653 5.101 -3.391 1.00 0.00 O ATOM 1088 ND2 ASN A 74 7.827 7.122 -2.864 1.00 0.00 N ATOM 0 H ASN A 74 7.823 3.270 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 74 9.889 3.976 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.890 6.778 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.364 6.383 -1.487 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.289 7.177 -3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.791 7.888 -2.191 1.00 0.00 H new ATOM 1095 N GLY A 75 9.762 3.845 1.604 1.00 0.00 N ATOM 1096 CA GLY A 75 10.400 3.828 2.907 1.00 0.00 C ATOM 1097 C GLY A 75 9.703 4.730 3.906 1.00 0.00 C ATOM 1098 O GLY A 75 9.965 4.657 5.106 1.00 0.00 O ATOM 0 H GLY A 75 9.061 3.118 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.411 2.807 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.439 4.140 2.803 1.00 0.00 H new ATOM 1102 N GLU A 76 8.814 5.585 3.409 1.00 0.00 N ATOM 1103 CA GLU A 76 8.079 6.507 4.268 1.00 0.00 C ATOM 1104 C GLU A 76 6.601 6.131 4.331 1.00 0.00 C ATOM 1105 O GLU A 76 5.944 5.971 3.301 1.00 0.00 O ATOM 1106 CB GLU A 76 8.230 7.942 3.759 1.00 0.00 C ATOM 1107 CG GLU A 76 9.604 8.538 4.018 1.00 0.00 C ATOM 1108 CD GLU A 76 10.617 8.152 2.958 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.329 8.360 1.760 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.696 7.642 3.324 1.00 0.00 O ATOM 0 H GLU A 76 8.586 5.658 2.418 1.00 0.00 H new ATOM 0 HA GLU A 76 8.496 6.439 5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.031 7.961 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.476 8.569 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.523 9.624 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.961 8.208 4.994 1.00 0.00 H new ATOM 1117 N THR A 77 6.084 5.991 5.547 1.00 0.00 N ATOM 1118 CA THR A 77 4.685 5.632 5.746 1.00 0.00 C ATOM 1119 C THR A 77 3.758 6.663 5.112 1.00 0.00 C ATOM 1120 O THR A 77 4.047 7.859 5.119 1.00 0.00 O ATOM 1121 CB THR A 77 4.346 5.505 7.243 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.615 6.741 7.914 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.151 4.386 7.888 1.00 0.00 C ATOM 0 H THR A 77 6.613 6.121 6.409 1.00 0.00 H new ATOM 0 HA THR A 77 4.534 4.666 5.264 1.00 0.00 H new ATOM 0 HB THR A 77 3.286 5.267 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.395 6.652 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.894 4.316 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.921 3.441 7.395 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.215 4.598 7.786 1.00 0.00 H new ATOM 1131 N LEU A 78 2.643 6.191 4.566 1.00 0.00 N ATOM 1132 CA LEU A 78 1.672 7.072 3.928 1.00 0.00 C ATOM 1133 C LEU A 78 1.394 8.295 4.796 1.00 0.00 C ATOM 1134 O LEU A 78 1.460 9.431 4.326 1.00 0.00 O ATOM 1135 CB LEU A 78 0.368 6.317 3.656 1.00 0.00 C ATOM 1136 CG LEU A 78 0.523 5.028 2.850 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.811 4.308 2.731 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.092 5.328 1.471 1.00 0.00 C ATOM 0 H LEU A 78 2.389 5.203 4.552 1.00 0.00 H new ATOM 0 HA LEU A 78 2.092 7.410 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.101 6.077 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.314 6.980 3.124 1.00 0.00 H new ATOM 0 HG LEU A 78 1.219 4.375 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.680 3.393 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.181 4.060 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.530 4.955 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.196 4.399 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.419 6.000 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.069 5.800 1.575 1.00 0.00 H new ATOM 1150 N ARG A 79 1.083 8.054 6.065 1.00 0.00 N ATOM 1151 CA ARG A 79 0.793 9.135 6.999 1.00 0.00 C ATOM 1152 C ARG A 79 1.896 10.189 6.969 1.00 0.00 C ATOM 1153 O ARG A 79 1.625 11.388 7.046 1.00 0.00 O ATOM 1154 CB ARG A 79 0.638 8.584 8.418 1.00 0.00 C ATOM 1155 CG ARG A 79 0.564 9.663 9.486 1.00 0.00 C ATOM 1156 CD ARG A 79 1.942 10.002 10.033 1.00 0.00 C ATOM 1157 NE ARG A 79 2.486 8.922 10.851 1.00 0.00 N ATOM 1158 CZ ARG A 79 3.464 9.091 11.735 1.00 0.00 C ATOM 1159 NH1 ARG A 79 4.001 10.290 11.913 1.00 0.00 N ATOM 1160 NH2 ARG A 79 3.906 8.059 12.442 1.00 0.00 N ATOM 0 H ARG A 79 1.025 7.120 6.470 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.143 9.604 6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.265 7.975 8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.479 7.925 8.637 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.107 10.560 9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.079 9.327 10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.621 10.207 9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.882 10.913 10.629 1.00 0.00 H new ATOM 0 HE ARG A 79 2.094 7.987 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.664 11.085 11.371 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.751 10.417 12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.495 7.135 12.307 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.657 8.189 13.120 1.00 0.00 H new ATOM 1174 N HIS A 80 3.140 9.735 6.858 1.00 0.00 N ATOM 1175 CA HIS A 80 4.283 10.639 6.817 1.00 0.00 C ATOM 1176 C HIS A 80 4.217 11.544 5.591 1.00 0.00 C ATOM 1177 O HIS A 80 4.342 12.764 5.700 1.00 0.00 O ATOM 1178 CB HIS A 80 5.589 9.843 6.808 1.00 0.00 C ATOM 1179 CG HIS A 80 6.806 10.687 7.034 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.487 10.720 8.233 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.465 11.530 6.206 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.511 11.548 8.133 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.520 12.053 6.912 1.00 0.00 N ATOM 0 H HIS A 80 3.382 8.746 6.795 1.00 0.00 H new ATOM 0 HA HIS A 80 4.253 11.264 7.710 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.542 9.074 7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.685 9.329 5.851 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.238 10.188 9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.209 11.751 5.180 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.220 11.774 8.916 1.00 0.00 H new ATOM 1192 N LEU A 81 4.021 10.939 4.425 1.00 0.00 N ATOM 1193 CA LEU A 81 3.939 11.691 3.177 1.00 0.00 C ATOM 1194 C LEU A 81 2.825 12.730 3.240 1.00 0.00 C ATOM 1195 O LEU A 81 2.994 13.864 2.795 1.00 0.00 O ATOM 1196 CB LEU A 81 3.702 10.741 2.001 1.00 0.00 C ATOM 1197 CG LEU A 81 4.804 9.707 1.772 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.382 8.702 0.712 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.102 10.391 1.372 1.00 0.00 C ATOM 0 H LEU A 81 3.916 9.930 4.317 1.00 0.00 H new ATOM 0 HA LEU A 81 4.886 12.210 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.760 10.216 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.586 11.333 1.093 1.00 0.00 H new ATOM 0 HG LEU A 81 4.971 9.171 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.179 7.974 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.478 8.188 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.186 9.223 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.875 9.639 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.948 10.954 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.414 11.071 2.165 1.00 0.00 H new ATOM 1211 N GLU A 82 1.684 12.333 3.797 1.00 0.00 N ATOM 1212 CA GLU A 82 0.541 13.230 3.917 1.00 0.00 C ATOM 1213 C GLU A 82 0.905 14.469 4.730 1.00 0.00 C ATOM 1214 O GLU A 82 0.562 15.591 4.357 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.637 12.506 4.571 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.875 13.373 4.726 1.00 0.00 C ATOM 1217 CD GLU A 82 -1.758 14.357 5.874 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -1.620 13.905 7.030 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -1.805 15.578 5.617 1.00 0.00 O ATOM 0 H GLU A 82 1.528 11.397 4.172 1.00 0.00 H new ATOM 0 HA GLU A 82 0.253 13.546 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.890 11.630 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.331 12.146 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.049 13.920 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.744 12.734 4.887 1.00 0.00 H new ATOM 1226 N GLN A 83 1.601 14.257 5.842 1.00 0.00 N ATOM 1227 CA GLN A 83 2.010 15.356 6.708 1.00 0.00 C ATOM 1228 C GLN A 83 2.865 16.362 5.944 1.00 0.00 C ATOM 1229 O GLN A 83 2.747 17.571 6.143 1.00 0.00 O ATOM 1230 CB GLN A 83 2.785 14.822 7.914 1.00 0.00 C ATOM 1231 CG GLN A 83 1.914 14.085 8.919 1.00 0.00 C ATOM 1232 CD GLN A 83 2.698 13.590 10.118 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.902 13.345 10.030 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.019 13.440 11.249 1.00 0.00 N ATOM 0 H GLN A 83 1.893 13.334 6.164 1.00 0.00 H new ATOM 0 HA GLN A 83 1.111 15.863 7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.569 14.150 7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.279 15.654 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.118 14.747 9.259 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.436 13.238 8.427 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.022 13.655 11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.494 13.110 12.089 1.00 0.00 H new ATOM 1243 N LYS A 84 3.728 15.854 5.070 1.00 0.00 N ATOM 1244 CA LYS A 84 4.603 16.707 4.275 1.00 0.00 C ATOM 1245 C LYS A 84 3.877 17.231 3.040 1.00 0.00 C ATOM 1246 O LYS A 84 4.498 17.763 2.122 1.00 0.00 O ATOM 1247 CB LYS A 84 5.855 15.935 3.853 1.00 0.00 C ATOM 1248 CG LYS A 84 6.779 15.597 5.010 1.00 0.00 C ATOM 1249 CD LYS A 84 7.644 14.387 4.698 1.00 0.00 C ATOM 1250 CE LYS A 84 8.925 14.787 3.983 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.832 15.570 4.867 1.00 0.00 N ATOM 0 H LYS A 84 3.840 14.855 4.895 1.00 0.00 H new ATOM 0 HA LYS A 84 4.897 17.557 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.553 15.012 3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.405 16.524 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.416 16.454 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.187 15.401 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.890 13.866 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.083 13.688 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.441 13.892 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.679 15.378 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.811 15.480 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.552 16.571 4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.768 15.207 5.839 1.00 0.00 H new ATOM 1265 N GLY A 85 2.556 17.079 3.027 1.00 0.00 N ATOM 1266 CA GLY A 85 1.767 17.544 1.901 1.00 0.00 C ATOM 1267 C GLY A 85 2.134 16.843 0.607 1.00 0.00 C ATOM 1268 O GLY A 85 2.032 17.425 -0.472 1.00 0.00 O ATOM 0 H GLY A 85 2.018 16.642 3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.710 17.383 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.908 18.618 1.781 1.00 0.00 H new ATOM 1272 N LEU A 86 2.564 15.591 0.716 1.00 0.00 N ATOM 1273 CA LEU A 86 2.950 14.810 -0.454 1.00 0.00 C ATOM 1274 C LEU A 86 1.833 13.856 -0.864 1.00 0.00 C ATOM 1275 O LEU A 86 1.594 13.636 -2.051 1.00 0.00 O ATOM 1276 CB LEU A 86 4.230 14.023 -0.168 1.00 0.00 C ATOM 1277 CG LEU A 86 5.363 14.835 0.459 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.420 13.914 1.046 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.981 15.770 -0.570 1.00 0.00 C ATOM 0 H LEU A 86 2.654 15.095 1.603 1.00 0.00 H new ATOM 0 HA LEU A 86 3.133 15.501 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.987 13.193 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.588 13.589 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 86 4.947 15.438 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.218 14.511 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.969 13.286 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.832 13.284 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.786 16.340 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.381 15.186 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.219 16.455 -0.943 1.00 0.00 H new ATOM 1291 N LEU A 87 1.151 13.292 0.127 1.00 0.00 N ATOM 1292 CA LEU A 87 0.058 12.361 -0.129 1.00 0.00 C ATOM 1293 C LEU A 87 -1.283 12.976 0.257 1.00 0.00 C ATOM 1294 O LEU A 87 -1.536 13.255 1.429 1.00 0.00 O ATOM 1295 CB LEU A 87 0.278 11.059 0.645 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.278 9.804 -0.028 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.567 8.590 0.326 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.728 9.582 0.374 1.00 0.00 C ATOM 0 H LEU A 87 1.336 13.463 1.115 1.00 0.00 H new ATOM 0 HA LEU A 87 0.042 12.143 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.348 10.924 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.179 11.158 1.629 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.239 9.946 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.156 7.706 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.591 8.748 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.560 8.444 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.108 8.684 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.791 9.461 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.326 10.441 0.069 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.140 13.185 -0.738 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.455 13.768 -0.504 1.00 0.00 C ATOM 1312 C PHE A 88 -4.237 12.954 0.523 1.00 0.00 C ATOM 1313 O PHE A 88 -4.984 13.506 1.331 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.242 13.847 -1.814 1.00 0.00 C ATOM 1315 CG PHE A 88 -4.947 12.569 -2.168 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.246 11.378 -2.258 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.311 12.560 -2.411 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -4.892 10.200 -2.583 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -6.963 11.385 -2.736 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.252 10.204 -2.823 1.00 0.00 C ATOM 0 H PHE A 88 -1.946 12.959 -1.714 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.313 14.775 -0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.976 14.649 -1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.561 14.113 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.182 11.370 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.871 13.481 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.334 9.278 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.027 11.391 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.759 9.285 -3.078 1.00 0.00 H new ATOM 1330 N SER A 89 -4.058 11.637 0.485 1.00 0.00 N ATOM 1331 CA SER A 89 -4.749 10.745 1.409 1.00 0.00 C ATOM 1332 C SER A 89 -6.252 11.009 1.397 1.00 0.00 C ATOM 1333 O SER A 89 -6.893 11.057 2.446 1.00 0.00 O ATOM 1334 CB SER A 89 -4.200 10.919 2.826 1.00 0.00 C ATOM 1335 OG SER A 89 -4.520 12.199 3.343 1.00 0.00 O ATOM 0 H SER A 89 -3.441 11.165 -0.175 1.00 0.00 H new ATOM 0 HA SER A 89 -4.575 9.719 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.612 10.147 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.118 10.786 2.819 1.00 0.00 H new ATOM 0 HG SER A 89 -5.035 12.701 2.677 1.00 0.00 H new