USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 568 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 Single : A2059 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2060 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A2061 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A2062 THR OG1 : rot 180:sc= 0 USER MOD Single : A2065 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A2071 THR OG1 : rot 160:sc= -0.739 USER MOD Single : A2073 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A2079 THR OG1 : rot 20:sc= 0.259 USER MOD Single : A2082 SER OG : rot 180:sc= 0 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -160:sc= -1.49! USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0.11 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.636 USER MOD Single : A2104 ASN : amide:sc= -1.63! C(o=-1.6!,f=-1.7!) USER MOD Single : A2105 THR OG1 : rot 72:sc= 0.245 USER MOD Single : A2107 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.1!) USER MOD Single : A2110 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A2117 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A2122 HIS : no HD1:sc=-0.00163 X(o=-0.0016,f=-0.04) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A2129 THR OG1 : rot 65:sc= 0.405 USER MOD Single : A2130 GLN : amide:sc= -0.179 K(o=-0.18,f=-3.6!) USER MOD Single : A2131 HIS :FLIP no HD1:sc= -0.329 F(o=-1.2,f=-0.33) USER MOD Single : A2133 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.011) USER MOD Single : A2134 THR OG1 : rot 69:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 198 N GLN A2059 11.597 6.383 1.380 1.00 0.87 N ATOM 199 CA GLN A2059 10.708 5.379 0.840 1.00 0.75 C ATOM 200 C GLN A2059 9.296 5.552 1.386 1.00 0.58 C ATOM 201 O GLN A2059 8.328 5.453 0.641 1.00 0.54 O ATOM 202 CB GLN A2059 11.235 3.987 1.150 1.00 0.80 C ATOM 203 CG GLN A2059 12.467 3.625 0.351 1.00 1.17 C ATOM 204 CD GLN A2059 12.377 2.235 -0.237 1.00 1.86 C ATOM 205 OE1 GLN A2059 11.860 2.050 -1.330 1.00 2.83 O ATOM 206 NE2 GLN A2059 12.892 1.248 0.482 1.00 1.87 N ATOM 0 HA GLN A2059 10.668 5.503 -0.242 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.467 3.922 2.213 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.452 3.256 0.949 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.603 4.349 -0.452 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.346 3.691 0.992 1.00 1.17 H new ATOM 0 HE21 GLN A2059 13.314 1.445 1.389 1.00 1.87 H new ATOM 0 HE22 GLN A2059 12.866 0.292 0.128 1.00 1.87 H new ATOM 215 N GLN A2060 9.181 5.831 2.679 1.00 0.54 N ATOM 216 CA GLN A2060 7.878 5.976 3.313 1.00 0.45 C ATOM 217 C GLN A2060 6.994 7.009 2.607 1.00 0.44 C ATOM 218 O GLN A2060 5.804 6.778 2.436 1.00 0.42 O ATOM 219 CB GLN A2060 8.042 6.330 4.786 1.00 0.55 C ATOM 220 CG GLN A2060 8.736 5.239 5.582 1.00 0.57 C ATOM 221 CD GLN A2060 8.845 5.568 7.057 1.00 0.81 C ATOM 222 OE1 GLN A2060 7.999 6.265 7.615 1.00 1.38 O ATOM 223 NE2 GLN A2060 9.888 5.066 7.699 1.00 1.01 N ATOM 0 H GLN A2060 9.974 5.961 3.308 1.00 0.54 H new ATOM 0 HA GLN A2060 7.371 5.015 3.229 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.614 7.254 4.871 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.061 6.521 5.220 1.00 0.55 H new ATOM 0 HG2 GLN A2060 8.189 4.304 5.462 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.734 5.078 5.175 1.00 0.57 H new ATOM 0 HE21 GLN A2060 10.567 4.492 7.199 1.00 1.01 H new ATOM 0 HE22 GLN A2060 10.013 5.253 8.694 1.00 1.01 H new ATOM 232 N GLN A2061 7.561 8.138 2.187 1.00 0.58 N ATOM 233 CA GLN A2061 6.773 9.141 1.471 1.00 0.61 C ATOM 234 C GLN A2061 6.341 8.618 0.099 1.00 0.51 C ATOM 235 O GLN A2061 5.205 8.835 -0.332 1.00 0.45 O ATOM 236 CB GLN A2061 7.532 10.464 1.322 1.00 0.83 C ATOM 237 CG GLN A2061 8.896 10.339 0.678 1.00 0.89 C ATOM 238 CD GLN A2061 9.504 11.679 0.317 1.00 1.29 C ATOM 239 OE1 GLN A2061 9.155 12.715 1.064 1.00 1.75 O flip ATOM 240 NE2 GLN A2061 10.285 11.784 -0.630 1.00 1.97 N flip ATOM 0 H GLN A2061 8.542 8.379 2.326 1.00 0.58 H new ATOM 0 HA GLN A2061 5.882 9.335 2.068 1.00 0.61 H new ATOM 0 HB2 GLN A2061 6.927 11.150 0.730 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.650 10.913 2.308 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.566 9.813 1.358 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.813 9.730 -0.222 1.00 0.89 H new ATOM 0 HE21 GLN A2061 10.530 10.962 -1.183 1.00 1.97 H new ATOM 0 HE22 GLN A2061 10.687 12.693 -0.861 1.00 1.97 H new ATOM 249 N THR A2062 7.250 7.923 -0.575 1.00 0.53 N ATOM 250 CA THR A2062 6.941 7.270 -1.843 1.00 0.50 C ATOM 251 C THR A2062 5.778 6.296 -1.680 1.00 0.39 C ATOM 252 O THR A2062 4.744 6.419 -2.339 1.00 0.42 O ATOM 253 CB THR A2062 8.161 6.497 -2.380 1.00 0.59 C ATOM 254 OG1 THR A2062 9.262 7.392 -2.592 1.00 0.74 O ATOM 255 CG2 THR A2062 7.818 5.775 -3.678 1.00 0.83 C ATOM 0 H THR A2062 8.213 7.796 -0.263 1.00 0.53 H new ATOM 0 HA THR A2062 6.669 8.052 -2.551 1.00 0.50 H new ATOM 0 HB THR A2062 8.446 5.752 -1.637 1.00 0.59 H new ATOM 0 HG1 THR A2062 10.032 6.889 -2.931 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.695 5.237 -4.038 1.00 0.83 H new ATOM 0 HG22 THR A2062 7.007 5.069 -3.498 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.506 6.502 -4.428 1.00 0.83 H new ATOM 263 N LEU A2063 5.970 5.339 -0.791 1.00 0.37 N ATOM 264 CA LEU A2063 5.005 4.297 -0.525 1.00 0.29 C ATOM 265 C LEU A2063 3.684 4.857 -0.005 1.00 0.22 C ATOM 266 O LEU A2063 2.620 4.340 -0.334 1.00 0.21 O ATOM 267 CB LEU A2063 5.616 3.314 0.471 1.00 0.30 C ATOM 268 CG LEU A2063 6.660 2.349 -0.111 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.736 3.073 -0.912 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.298 1.537 1.005 1.00 0.79 C ATOM 0 H LEU A2063 6.816 5.266 -0.226 1.00 0.37 H new ATOM 0 HA LEU A2063 4.771 3.784 -1.458 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.081 3.882 1.277 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.812 2.727 0.916 1.00 0.30 H new ATOM 0 HG LEU A2063 6.138 1.683 -0.798 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.450 2.347 -1.302 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.274 3.609 -1.741 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.255 3.781 -0.267 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.037 0.856 0.583 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.786 2.209 1.711 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.529 0.963 1.523 1.00 0.79 H new ATOM 282 N ALA A2064 3.755 5.925 0.787 1.00 0.25 N ATOM 283 CA ALA A2064 2.553 6.583 1.298 1.00 0.27 C ATOM 284 C ALA A2064 1.753 7.202 0.164 1.00 0.25 C ATOM 285 O ALA A2064 0.534 7.343 0.252 1.00 0.30 O ATOM 286 CB ALA A2064 2.912 7.646 2.322 1.00 0.37 C ATOM 0 H ALA A2064 4.630 6.353 1.089 1.00 0.25 H new ATOM 0 HA ALA A2064 1.939 5.825 1.784 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.002 8.121 2.687 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.440 7.184 3.156 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.552 8.397 1.858 1.00 0.37 H new ATOM 292 N THR A2065 2.447 7.563 -0.903 1.00 0.24 N ATOM 293 CA THR A2065 1.799 8.111 -2.078 1.00 0.27 C ATOM 294 C THR A2065 1.333 6.973 -2.976 1.00 0.24 C ATOM 295 O THR A2065 0.300 7.068 -3.636 1.00 0.29 O ATOM 296 CB THR A2065 2.745 9.044 -2.853 1.00 0.35 C ATOM 297 OG1 THR A2065 3.278 10.040 -1.968 1.00 0.40 O ATOM 298 CG2 THR A2065 2.019 9.727 -4.003 1.00 0.42 C ATOM 0 H THR A2065 3.461 7.485 -0.977 1.00 0.24 H new ATOM 0 HA THR A2065 0.940 8.700 -1.757 1.00 0.27 H new ATOM 0 HB THR A2065 3.555 8.441 -3.263 1.00 0.35 H new ATOM 0 HG1 THR A2065 3.954 9.633 -1.387 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.711 10.381 -4.534 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.634 8.973 -4.689 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.191 10.318 -3.611 1.00 0.42 H new ATOM 306 N LEU A2066 2.099 5.887 -2.966 1.00 0.21 N ATOM 307 CA LEU A2066 1.747 4.685 -3.708 1.00 0.21 C ATOM 308 C LEU A2066 0.411 4.147 -3.244 1.00 0.18 C ATOM 309 O LEU A2066 -0.535 4.092 -4.010 1.00 0.20 O ATOM 310 CB LEU A2066 2.811 3.604 -3.528 1.00 0.24 C ATOM 311 CG LEU A2066 2.403 2.212 -4.023 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.964 2.254 -5.482 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.544 1.231 -3.842 1.00 0.36 C ATOM 0 H LEU A2066 2.974 5.817 -2.447 1.00 0.21 H new ATOM 0 HA LEU A2066 1.684 4.953 -4.763 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.714 3.911 -4.055 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.066 3.538 -2.470 1.00 0.24 H new ATOM 0 HG LEU A2066 1.555 1.877 -3.426 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.680 1.253 -5.806 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.111 2.924 -5.586 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.787 2.615 -6.099 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.238 0.247 -4.198 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.409 1.570 -4.411 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.806 1.169 -2.786 1.00 0.36 H new ATOM 325 N VAL A2067 0.353 3.752 -1.984 1.00 0.17 N ATOM 326 CA VAL A2067 -0.869 3.208 -1.400 1.00 0.18 C ATOM 327 C VAL A2067 -2.045 4.175 -1.574 1.00 0.19 C ATOM 328 O VAL A2067 -3.175 3.759 -1.846 1.00 0.22 O ATOM 329 CB VAL A2067 -0.671 2.874 0.089 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.173 4.080 0.870 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.960 2.356 0.687 1.00 0.64 C ATOM 0 H VAL A2067 1.142 3.797 -1.339 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.102 2.286 -1.932 1.00 0.18 H new ATOM 0 HB VAL A2067 0.090 2.097 0.157 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.044 3.807 1.917 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.782 4.409 0.461 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.899 4.889 0.792 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.805 2.124 1.741 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.736 3.116 0.593 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.270 1.454 0.159 1.00 0.64 H new ATOM 341 N ALA A2068 -1.760 5.460 -1.432 1.00 0.19 N ATOM 342 CA ALA A2068 -2.748 6.501 -1.652 1.00 0.23 C ATOM 343 C ALA A2068 -3.289 6.443 -3.077 1.00 0.23 C ATOM 344 O ALA A2068 -4.499 6.394 -3.289 1.00 0.29 O ATOM 345 CB ALA A2068 -2.135 7.863 -1.369 1.00 0.27 C ATOM 0 H ALA A2068 -0.840 5.808 -1.162 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.582 6.340 -0.969 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.881 8.640 -1.536 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.796 7.902 -0.334 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.287 8.026 -2.034 1.00 0.27 H new ATOM 351 N ALA A2069 -2.385 6.434 -4.046 1.00 0.20 N ATOM 352 CA ALA A2069 -2.764 6.366 -5.449 1.00 0.22 C ATOM 353 C ALA A2069 -3.315 4.990 -5.796 1.00 0.23 C ATOM 354 O ALA A2069 -4.138 4.849 -6.700 1.00 0.29 O ATOM 355 CB ALA A2069 -1.570 6.702 -6.326 1.00 0.25 C ATOM 0 H ALA A2069 -1.379 6.473 -3.884 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.551 7.097 -5.632 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.862 6.649 -7.375 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.222 7.709 -6.097 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.767 5.989 -6.137 1.00 0.25 H new ATOM 361 N ALA A2070 -2.870 3.983 -5.059 1.00 0.21 N ATOM 362 CA ALA A2070 -3.306 2.615 -5.271 1.00 0.24 C ATOM 363 C ALA A2070 -4.800 2.503 -5.031 1.00 0.26 C ATOM 364 O ALA A2070 -5.550 2.088 -5.909 1.00 0.34 O ATOM 365 CB ALA A2070 -2.551 1.667 -4.355 1.00 0.25 C ATOM 0 H ALA A2070 -2.198 4.093 -4.299 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.093 2.337 -6.303 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -2.891 0.646 -4.528 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.483 1.734 -4.563 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.736 1.940 -3.316 1.00 0.25 H new ATOM 371 N THR A2071 -5.229 2.923 -3.850 1.00 0.24 N ATOM 372 CA THR A2071 -6.632 2.850 -3.480 1.00 0.28 C ATOM 373 C THR A2071 -7.443 3.863 -4.279 1.00 0.31 C ATOM 374 O THR A2071 -8.620 3.653 -4.564 1.00 0.37 O ATOM 375 CB THR A2071 -6.815 3.080 -1.969 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.105 2.631 -1.543 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.652 4.538 -1.604 1.00 0.29 C ATOM 0 H THR A2071 -4.623 3.318 -3.131 1.00 0.24 H new ATOM 0 HA THR A2071 -6.996 1.850 -3.714 1.00 0.28 H new ATOM 0 HB THR A2071 -6.041 2.505 -1.461 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.095 2.477 -0.575 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.788 4.662 -0.530 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.654 4.874 -1.884 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.397 5.131 -2.135 1.00 0.29 H new ATOM 385 N ALA A2072 -6.786 4.948 -4.665 1.00 0.31 N ATOM 386 CA ALA A2072 -7.390 5.949 -5.532 1.00 0.40 C ATOM 387 C ALA A2072 -7.615 5.383 -6.926 1.00 0.42 C ATOM 388 O ALA A2072 -8.335 5.958 -7.732 1.00 0.54 O ATOM 389 CB ALA A2072 -6.509 7.178 -5.590 1.00 0.47 C ATOM 0 H ALA A2072 -5.827 5.158 -4.388 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.360 6.232 -5.122 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -6.967 7.923 -6.240 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.395 7.592 -4.588 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.530 6.905 -5.983 1.00 0.47 H new ATOM 395 N THR A2073 -6.978 4.262 -7.208 1.00 0.36 N ATOM 396 CA THR A2073 -7.188 3.560 -8.461 1.00 0.40 C ATOM 397 C THR A2073 -8.320 2.538 -8.339 1.00 0.29 C ATOM 398 O THR A2073 -9.099 2.344 -9.273 1.00 0.34 O ATOM 399 CB THR A2073 -5.895 2.854 -8.918 1.00 0.49 C ATOM 400 OG1 THR A2073 -4.826 3.808 -9.002 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.082 2.179 -10.269 1.00 0.58 C ATOM 0 H THR A2073 -6.307 3.816 -6.583 1.00 0.36 H new ATOM 0 HA THR A2073 -7.469 4.302 -9.208 1.00 0.40 H new ATOM 0 HB THR A2073 -5.650 2.087 -8.183 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.486 3.998 -8.103 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.153 1.690 -10.563 1.00 0.58 H new ATOM 0 HG22 THR A2073 -6.876 1.436 -10.198 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.351 2.927 -11.015 1.00 0.58 H new ATOM 409 N VAL A2074 -8.422 1.901 -7.175 1.00 0.20 N ATOM 410 CA VAL A2074 -9.416 0.846 -6.972 1.00 0.22 C ATOM 411 C VAL A2074 -10.779 1.453 -6.636 1.00 0.27 C ATOM 412 O VAL A2074 -11.818 0.972 -7.089 1.00 0.41 O ATOM 413 CB VAL A2074 -8.979 -0.167 -5.870 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.476 -0.192 -5.741 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.593 0.122 -4.514 1.00 0.72 C ATOM 0 H VAL A2074 -7.835 2.093 -6.363 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.497 0.291 -7.906 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.347 -1.141 -6.193 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.189 -0.904 -4.967 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.034 -0.491 -6.692 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.117 0.801 -5.471 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.248 -0.619 -3.793 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.293 1.117 -4.183 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.679 0.077 -4.589 1.00 0.72 H new ATOM 425 N LEU A2075 -10.757 2.509 -5.837 1.00 0.27 N ATOM 426 CA LEU A2075 -11.972 3.214 -5.446 1.00 0.37 C ATOM 427 C LEU A2075 -12.296 4.339 -6.411 1.00 0.42 C ATOM 428 O LEU A2075 -11.403 5.037 -6.881 1.00 1.24 O ATOM 429 CB LEU A2075 -11.814 3.779 -4.043 1.00 0.44 C ATOM 430 CG LEU A2075 -11.561 2.730 -2.966 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.563 3.360 -1.589 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.602 1.629 -3.058 1.00 1.04 C ATOM 0 H LEU A2075 -9.902 2.901 -5.442 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.794 2.499 -5.467 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -10.988 4.490 -4.042 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -12.715 4.337 -3.785 1.00 0.44 H new ATOM 0 HG LEU A2075 -10.576 2.293 -3.130 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.381 2.592 -0.837 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -10.779 4.116 -1.533 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -12.531 3.826 -1.404 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.413 0.884 -2.285 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.595 2.055 -2.917 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.546 1.156 -4.039 1.00 1.04 H new ATOM 487 N THR A2079 -8.091 10.211 -6.409 1.00 1.12 N ATOM 488 CA THR A2079 -7.361 11.283 -5.733 1.00 0.78 C ATOM 489 C THR A2079 -6.529 10.752 -4.566 1.00 0.67 C ATOM 490 O THR A2079 -7.047 10.506 -3.475 1.00 0.86 O ATOM 491 CB THR A2079 -8.299 12.391 -5.210 1.00 1.25 C ATOM 492 OG1 THR A2079 -9.296 12.700 -6.196 1.00 1.52 O ATOM 493 CG2 THR A2079 -7.515 13.643 -4.880 1.00 1.42 C ATOM 0 HA THR A2079 -6.699 11.709 -6.487 1.00 0.78 H new ATOM 0 HB THR A2079 -8.783 12.027 -4.304 1.00 1.25 H new ATOM 0 HG1 THR A2079 -9.368 11.958 -6.832 1.00 1.52 H new ATOM 0 HG21 THR A2079 -8.195 14.412 -4.513 1.00 1.42 H new ATOM 0 HG22 THR A2079 -6.775 13.417 -4.113 1.00 1.42 H new ATOM 0 HG23 THR A2079 -7.010 14.003 -5.776 1.00 1.42 H new ATOM 501 N PRO A2080 -5.215 10.593 -4.772 1.00 0.48 N ATOM 502 CA PRO A2080 -4.301 10.135 -3.723 1.00 0.48 C ATOM 503 C PRO A2080 -4.124 11.209 -2.656 1.00 0.69 C ATOM 504 O PRO A2080 -3.639 10.959 -1.551 1.00 0.70 O ATOM 505 CB PRO A2080 -2.978 9.896 -4.465 1.00 0.56 C ATOM 506 CG PRO A2080 -3.314 9.954 -5.920 1.00 0.56 C ATOM 507 CD PRO A2080 -4.511 10.848 -6.032 1.00 0.50 C ATOM 0 HA PRO A2080 -4.666 9.246 -3.208 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.240 10.654 -4.203 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.550 8.929 -4.200 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -2.478 10.347 -6.498 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -3.532 8.960 -6.310 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.227 11.895 -6.134 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.125 10.598 -6.898 1.00 0.50 H new ATOM 515 N GLU A2081 -4.544 12.408 -3.016 1.00 0.93 N ATOM 516 CA GLU A2081 -4.469 13.572 -2.153 1.00 1.22 C ATOM 517 C GLU A2081 -5.449 13.448 -0.997 1.00 1.21 C ATOM 518 O GLU A2081 -5.146 13.798 0.144 1.00 1.32 O ATOM 519 CB GLU A2081 -4.816 14.807 -2.971 1.00 1.52 C ATOM 520 CG GLU A2081 -4.158 14.820 -4.333 1.00 2.12 C ATOM 521 CD GLU A2081 -4.353 16.126 -5.064 1.00 2.46 C ATOM 522 OE1 GLU A2081 -3.498 17.019 -4.917 1.00 2.53 O ATOM 523 OE2 GLU A2081 -5.356 16.260 -5.794 1.00 2.96 O ATOM 0 H GLU A2081 -4.953 12.603 -3.930 1.00 0.93 H new ATOM 0 HA GLU A2081 -3.461 13.651 -1.747 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -5.897 14.861 -3.096 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -4.514 15.697 -2.420 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -3.091 14.629 -4.218 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -4.564 14.007 -4.935 1.00 2.12 H new ATOM 530 N SER A2082 -6.620 12.916 -1.309 1.00 1.13 N ATOM 531 CA SER A2082 -7.712 12.842 -0.359 1.00 1.23 C ATOM 532 C SER A2082 -7.554 11.635 0.563 1.00 0.99 C ATOM 533 O SER A2082 -8.375 11.398 1.450 1.00 1.06 O ATOM 534 CB SER A2082 -9.025 12.775 -1.133 1.00 1.44 C ATOM 535 OG SER A2082 -9.068 13.798 -2.115 1.00 1.70 O ATOM 0 H SER A2082 -6.837 12.525 -2.226 1.00 1.13 H new ATOM 0 HA SER A2082 -7.708 13.729 0.274 1.00 1.23 H new ATOM 0 HB2 SER A2082 -9.126 11.800 -1.609 1.00 1.44 H new ATOM 0 HB3 SER A2082 -9.866 12.883 -0.448 1.00 1.44 H new ATOM 0 HG SER A2082 -9.914 13.744 -2.607 1.00 1.70 H new ATOM 541 N ILE A2083 -6.482 10.885 0.351 1.00 0.76 N ATOM 542 CA ILE A2083 -6.185 9.725 1.170 1.00 0.55 C ATOM 543 C ILE A2083 -5.528 10.155 2.475 1.00 0.43 C ATOM 544 O ILE A2083 -4.344 10.501 2.499 1.00 0.46 O ATOM 545 CB ILE A2083 -5.235 8.760 0.443 1.00 0.45 C ATOM 546 CG1 ILE A2083 -5.693 8.537 -0.994 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.148 7.437 1.196 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.897 7.654 -1.108 1.00 0.47 C ATOM 0 H ILE A2083 -5.801 11.063 -0.387 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.128 9.218 1.372 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.241 9.206 0.415 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -5.916 9.502 -1.450 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -4.874 8.097 -1.563 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -4.472 6.763 0.670 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -4.772 7.616 2.203 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.138 6.985 1.254 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.166 7.540 -2.158 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -6.673 6.676 -0.682 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -7.730 8.103 -0.567 1.00 0.47 H new ATOM 560 N SER A2084 -6.298 10.158 3.547 1.00 0.38 N ATOM 561 CA SER A2084 -5.764 10.489 4.853 1.00 0.32 C ATOM 562 C SER A2084 -5.141 9.250 5.492 1.00 0.29 C ATOM 563 O SER A2084 -5.763 8.191 5.555 1.00 0.31 O ATOM 564 CB SER A2084 -6.864 11.060 5.738 1.00 0.36 C ATOM 565 OG SER A2084 -7.473 12.185 5.121 1.00 0.42 O ATOM 0 H SER A2084 -7.293 9.935 3.539 1.00 0.38 H new ATOM 0 HA SER A2084 -4.987 11.245 4.741 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.615 10.295 5.932 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.448 11.349 6.703 1.00 0.36 H new ATOM 0 HG SER A2084 -8.178 12.536 5.704 1.00 0.42 H new ATOM 571 N PRO A2085 -3.898 9.385 5.979 1.00 0.29 N ATOM 572 CA PRO A2085 -3.081 8.258 6.458 1.00 0.28 C ATOM 573 C PRO A2085 -3.640 7.580 7.701 1.00 0.28 C ATOM 574 O PRO A2085 -3.448 6.380 7.896 1.00 0.33 O ATOM 575 CB PRO A2085 -1.743 8.917 6.788 1.00 0.32 C ATOM 576 CG PRO A2085 -2.106 10.323 7.098 1.00 0.36 C ATOM 577 CD PRO A2085 -3.181 10.664 6.114 1.00 0.36 C ATOM 0 HA PRO A2085 -3.032 7.465 5.712 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.257 8.433 7.636 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -1.051 8.859 5.948 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.462 10.423 8.123 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.247 10.986 6.992 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.831 11.458 6.481 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.770 11.002 5.163 1.00 0.36 H new ATOM 585 N ALA A2086 -4.318 8.348 8.538 1.00 0.30 N ATOM 586 CA ALA A2086 -4.836 7.823 9.794 1.00 0.36 C ATOM 587 C ALA A2086 -6.205 7.173 9.619 1.00 0.30 C ATOM 588 O ALA A2086 -6.706 6.516 10.533 1.00 0.28 O ATOM 589 CB ALA A2086 -4.908 8.927 10.834 1.00 0.47 C ATOM 0 H ALA A2086 -4.523 9.334 8.373 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.147 7.050 10.135 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.297 8.522 11.768 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.911 9.334 11.002 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.568 9.719 10.479 1.00 0.47 H new ATOM 595 N THR A2087 -6.807 7.349 8.452 1.00 0.32 N ATOM 596 CA THR A2087 -8.129 6.802 8.200 1.00 0.28 C ATOM 597 C THR A2087 -8.038 5.339 7.779 1.00 0.24 C ATOM 598 O THR A2087 -7.042 4.898 7.206 1.00 0.28 O ATOM 599 CB THR A2087 -8.864 7.587 7.101 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.665 8.995 7.290 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.360 7.283 7.110 1.00 0.34 C ATOM 0 H THR A2087 -6.403 7.864 7.670 1.00 0.32 H new ATOM 0 HA THR A2087 -8.689 6.884 9.131 1.00 0.28 H new ATOM 0 HB THR A2087 -8.454 7.280 6.139 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.362 9.491 6.812 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.852 7.853 6.322 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.516 6.218 6.939 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.782 7.561 8.076 1.00 0.34 H new ATOM 609 N ALA A2088 -9.097 4.613 8.059 1.00 0.23 N ATOM 610 CA ALA A2088 -9.190 3.204 7.731 1.00 0.25 C ATOM 611 C ALA A2088 -9.767 3.040 6.340 1.00 0.22 C ATOM 612 O ALA A2088 -10.690 3.757 5.959 1.00 0.25 O ATOM 613 CB ALA A2088 -10.076 2.502 8.743 1.00 0.32 C ATOM 0 H ALA A2088 -9.925 4.984 8.524 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.195 2.761 7.759 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.144 1.443 8.494 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.649 2.614 9.740 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -11.072 2.944 8.723 1.00 0.32 H new ATOM 619 N PHE A2089 -9.222 2.086 5.588 1.00 0.21 N ATOM 620 CA PHE A2089 -9.659 1.846 4.216 1.00 0.20 C ATOM 621 C PHE A2089 -11.147 1.547 4.140 1.00 0.24 C ATOM 622 O PHE A2089 -11.771 1.765 3.105 1.00 0.26 O ATOM 623 CB PHE A2089 -8.845 0.731 3.566 1.00 0.21 C ATOM 624 CG PHE A2089 -7.561 1.235 2.987 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.575 2.216 2.012 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.350 0.753 3.428 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.397 2.709 1.493 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.167 1.236 2.909 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.192 2.219 1.940 1.00 0.34 C ATOM 0 H PHE A2089 -8.477 1.467 5.907 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.483 2.765 3.657 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.630 -0.039 4.307 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.437 0.262 2.780 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.519 2.600 1.654 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.326 -0.012 4.189 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.420 3.479 0.736 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.223 0.846 3.260 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.268 2.602 1.534 1.00 0.34 H new ATOM 639 N LYS A2090 -11.702 1.059 5.238 1.00 0.30 N ATOM 640 CA LYS A2090 -13.133 0.949 5.395 1.00 0.40 C ATOM 641 C LYS A2090 -13.805 2.281 5.070 1.00 0.37 C ATOM 642 O LYS A2090 -14.559 2.394 4.104 1.00 0.47 O ATOM 643 CB LYS A2090 -13.420 0.565 6.822 1.00 0.55 C ATOM 644 CG LYS A2090 -14.799 0.933 7.255 1.00 1.19 C ATOM 645 CD LYS A2090 -15.089 0.368 8.604 1.00 1.79 C ATOM 646 CE LYS A2090 -14.076 0.831 9.637 1.00 2.14 C ATOM 647 NZ LYS A2090 -14.380 0.301 10.990 1.00 2.91 N ATOM 0 H LYS A2090 -11.168 0.730 6.042 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.525 0.194 4.713 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -13.283 -0.510 6.939 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -12.697 1.052 7.477 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -14.902 2.018 7.278 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -15.525 0.559 6.533 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -16.090 0.667 8.916 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -15.083 -0.721 8.551 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -13.079 0.509 9.337 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -14.063 1.920 9.669 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -13.665 0.641 11.665 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -15.321 0.629 11.288 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -14.367 -0.739 10.966 1.00 2.91 H new ATOM 661 N ASP A2091 -13.508 3.275 5.896 1.00 0.33 N ATOM 662 CA ASP A2091 -14.005 4.631 5.726 1.00 0.35 C ATOM 663 C ASP A2091 -13.645 5.231 4.364 1.00 0.33 C ATOM 664 O ASP A2091 -14.358 6.102 3.868 1.00 0.39 O ATOM 665 CB ASP A2091 -13.462 5.511 6.852 1.00 0.38 C ATOM 666 CG ASP A2091 -14.213 5.312 8.151 1.00 1.03 C ATOM 667 OD1 ASP A2091 -15.018 6.194 8.519 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.002 4.273 8.809 1.00 1.04 O ATOM 0 H ASP A2091 -12.908 3.160 6.713 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.093 4.590 5.768 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -12.407 5.288 7.007 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -13.526 6.558 6.555 1.00 0.38 H new ATOM 673 N LEU A2092 -12.546 4.784 3.755 1.00 0.30 N ATOM 674 CA LEU A2092 -12.168 5.290 2.438 1.00 0.32 C ATOM 675 C LEU A2092 -13.037 4.696 1.330 1.00 0.30 C ATOM 676 O LEU A2092 -13.157 5.284 0.257 1.00 0.36 O ATOM 677 CB LEU A2092 -10.692 5.010 2.120 1.00 0.34 C ATOM 678 CG LEU A2092 -9.665 6.012 2.672 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.234 7.421 2.711 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.172 5.593 4.042 1.00 0.61 C ATOM 0 H LEU A2092 -11.913 4.085 4.145 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.325 6.368 2.474 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.443 4.021 2.504 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.579 4.969 1.037 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.812 6.014 1.993 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.483 8.106 3.106 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.512 7.729 1.703 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.115 7.440 3.352 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.447 6.321 4.406 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -10.014 5.543 4.732 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.700 4.613 3.975 1.00 0.61 H new ATOM 692 N GLY A2093 -13.643 3.541 1.582 1.00 0.26 N ATOM 693 CA GLY A2093 -14.532 2.950 0.594 1.00 0.26 C ATOM 694 C GLY A2093 -14.136 1.538 0.204 1.00 0.22 C ATOM 695 O GLY A2093 -14.798 0.909 -0.622 1.00 0.27 O ATOM 0 H GLY A2093 -13.537 3.006 2.444 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.548 2.940 0.989 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.542 3.577 -0.297 1.00 0.26 H new ATOM 699 N ILE A2094 -13.058 1.048 0.791 1.00 0.22 N ATOM 700 CA ILE A2094 -12.565 -0.292 0.520 1.00 0.19 C ATOM 701 C ILE A2094 -13.503 -1.369 1.057 1.00 0.18 C ATOM 702 O ILE A2094 -13.848 -1.382 2.240 1.00 0.22 O ATOM 703 CB ILE A2094 -11.163 -0.463 1.138 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.160 0.410 0.390 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.707 -1.916 1.138 1.00 0.21 C ATOM 706 CD1 ILE A2094 -9.953 -0.005 -1.047 1.00 0.28 C ATOM 0 H ILE A2094 -12.500 1.567 1.469 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.514 -0.413 -0.562 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.218 -0.146 2.179 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.501 1.445 0.415 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.203 0.377 0.911 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.714 -1.986 1.583 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.408 -2.517 1.718 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.672 -2.286 0.113 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.228 0.659 -1.517 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.582 -1.029 -1.080 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.900 0.055 -1.583 1.00 0.28 H new ATOM 718 N ASP A2095 -13.927 -2.254 0.166 1.00 0.19 N ATOM 719 CA ASP A2095 -14.666 -3.448 0.554 1.00 0.26 C ATOM 720 C ASP A2095 -13.718 -4.629 0.490 1.00 0.21 C ATOM 721 O ASP A2095 -12.515 -4.441 0.390 1.00 0.23 O ATOM 722 CB ASP A2095 -15.854 -3.713 -0.378 1.00 0.40 C ATOM 723 CG ASP A2095 -16.913 -2.628 -0.344 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.778 -2.661 0.554 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.910 -1.757 -1.237 1.00 1.07 O ATOM 0 H ASP A2095 -13.770 -2.167 -0.838 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.059 -3.303 1.560 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.487 -3.817 -1.399 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.312 -4.664 -0.106 1.00 0.40 H new ATOM 730 N SER A2096 -14.239 -5.838 0.522 1.00 0.30 N ATOM 731 CA SER A2096 -13.387 -7.004 0.329 1.00 0.35 C ATOM 732 C SER A2096 -13.004 -7.115 -1.136 1.00 0.30 C ATOM 733 O SER A2096 -11.907 -7.550 -1.484 1.00 0.38 O ATOM 734 CB SER A2096 -14.098 -8.277 0.783 1.00 0.51 C ATOM 735 OG SER A2096 -15.512 -8.037 0.799 1.00 0.85 O ATOM 0 H SER A2096 -15.226 -6.042 0.676 1.00 0.30 H new ATOM 0 HA SER A2096 -12.487 -6.884 0.932 1.00 0.35 H new ATOM 0 HB2 SER A2096 -13.863 -9.101 0.109 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.753 -8.568 1.775 1.00 0.51 H new ATOM 0 HG SER A2096 -15.978 -8.849 1.088 1.00 0.85 H new ATOM 740 N LEU A2097 -13.922 -6.670 -1.975 1.00 0.29 N ATOM 741 CA LEU A2097 -13.756 -6.711 -3.421 1.00 0.35 C ATOM 742 C LEU A2097 -12.551 -5.889 -3.840 1.00 0.26 C ATOM 743 O LEU A2097 -11.684 -6.349 -4.578 1.00 0.35 O ATOM 744 CB LEU A2097 -15.004 -6.153 -4.099 1.00 0.50 C ATOM 745 CG LEU A2097 -16.311 -6.664 -3.535 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.493 -5.947 -4.165 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.400 -8.150 -3.749 1.00 1.65 C ATOM 0 H LEU A2097 -14.809 -6.267 -1.673 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.603 -7.747 -3.723 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.989 -5.066 -4.019 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.963 -6.395 -5.161 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.342 -6.459 -2.465 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.420 -6.333 -3.742 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.420 -4.878 -3.964 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.488 -6.114 -5.242 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.341 -8.520 -3.343 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.354 -8.367 -4.816 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.569 -8.641 -3.243 1.00 1.65 H new ATOM 759 N THR A2098 -12.510 -4.667 -3.356 1.00 0.19 N ATOM 760 CA THR A2098 -11.441 -3.750 -3.689 1.00 0.16 C ATOM 761 C THR A2098 -10.239 -3.918 -2.769 1.00 0.15 C ATOM 762 O THR A2098 -9.164 -3.379 -3.037 1.00 0.19 O ATOM 763 CB THR A2098 -11.947 -2.305 -3.652 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.897 -2.150 -2.589 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.590 -1.942 -4.981 1.00 0.27 C ATOM 0 H THR A2098 -13.212 -4.282 -2.724 1.00 0.19 H new ATOM 0 HA THR A2098 -11.111 -3.985 -4.701 1.00 0.16 H new ATOM 0 HB THR A2098 -11.103 -1.638 -3.476 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.216 -1.224 -2.568 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.946 -0.913 -4.944 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.856 -2.043 -5.780 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.430 -2.610 -5.173 1.00 0.27 H new ATOM 773 N ALA A2099 -10.414 -4.688 -1.702 1.00 0.15 N ATOM 774 CA ALA A2099 -9.315 -4.990 -0.799 1.00 0.19 C ATOM 775 C ALA A2099 -8.245 -5.787 -1.531 1.00 0.22 C ATOM 776 O ALA A2099 -7.049 -5.566 -1.346 1.00 0.29 O ATOM 777 CB ALA A2099 -9.815 -5.754 0.420 1.00 0.21 C ATOM 0 H ALA A2099 -11.304 -5.113 -1.443 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.878 -4.053 -0.453 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.977 -5.970 1.083 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.551 -5.151 0.951 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.275 -6.689 0.100 1.00 0.21 H new ATOM 783 N LEU A2100 -8.677 -6.698 -2.390 1.00 0.22 N ATOM 784 CA LEU A2100 -7.744 -7.502 -3.154 1.00 0.27 C ATOM 785 C LEU A2100 -7.151 -6.691 -4.302 1.00 0.26 C ATOM 786 O LEU A2100 -5.969 -6.812 -4.598 1.00 0.29 O ATOM 787 CB LEU A2100 -8.414 -8.795 -3.649 1.00 0.31 C ATOM 788 CG LEU A2100 -9.729 -8.633 -4.422 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.473 -8.467 -5.912 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.643 -9.820 -4.168 1.00 0.40 C ATOM 0 H LEU A2100 -9.661 -6.896 -2.573 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.921 -7.795 -2.502 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.706 -9.323 -4.288 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.602 -9.433 -2.786 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.222 -7.729 -4.063 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.423 -8.354 -6.434 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.860 -7.582 -6.079 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.952 -9.346 -6.292 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.572 -9.690 -4.724 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.150 -10.735 -4.495 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.864 -9.888 -3.103 1.00 0.40 H new ATOM 802 N GLU A2101 -7.969 -5.838 -4.913 1.00 0.24 N ATOM 803 CA GLU A2101 -7.530 -4.995 -6.023 1.00 0.26 C ATOM 804 C GLU A2101 -6.454 -4.009 -5.588 1.00 0.24 C ATOM 805 O GLU A2101 -5.479 -3.781 -6.308 1.00 0.27 O ATOM 806 CB GLU A2101 -8.733 -4.245 -6.576 1.00 0.29 C ATOM 807 CG GLU A2101 -9.840 -5.166 -7.040 1.00 0.35 C ATOM 808 CD GLU A2101 -9.538 -5.826 -8.371 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.234 -5.535 -9.367 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.593 -6.639 -8.429 1.00 0.56 O ATOM 0 H GLU A2101 -8.948 -5.712 -4.656 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.096 -5.632 -6.794 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.122 -3.576 -5.808 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.413 -3.621 -7.410 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.004 -5.937 -6.287 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.767 -4.599 -7.123 1.00 0.35 H new ATOM 817 N LEU A2102 -6.636 -3.411 -4.419 1.00 0.21 N ATOM 818 CA LEU A2102 -5.631 -2.529 -3.859 1.00 0.22 C ATOM 819 C LEU A2102 -4.330 -3.293 -3.650 1.00 0.24 C ATOM 820 O LEU A2102 -3.272 -2.879 -4.124 1.00 0.27 O ATOM 821 CB LEU A2102 -6.124 -1.968 -2.536 1.00 0.24 C ATOM 822 CG LEU A2102 -5.686 -0.545 -2.219 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.264 -0.136 -0.895 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.174 -0.409 -2.197 1.00 0.57 C ATOM 0 H LEU A2102 -7.470 -3.523 -3.843 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.449 -1.706 -4.550 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.213 -2.003 -2.531 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.780 -2.622 -1.734 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.056 0.111 -3.007 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -5.954 0.883 -0.662 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.352 -0.182 -0.943 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.906 -0.811 -0.118 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.905 0.622 -1.967 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.760 -1.071 -1.436 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.770 -0.681 -3.172 1.00 0.57 H new ATOM 836 N ARG A2103 -4.425 -4.411 -2.938 1.00 0.26 N ATOM 837 CA ARG A2103 -3.286 -5.279 -2.708 1.00 0.34 C ATOM 838 C ARG A2103 -2.636 -5.685 -4.029 1.00 0.35 C ATOM 839 O ARG A2103 -1.418 -5.725 -4.130 1.00 0.43 O ATOM 840 CB ARG A2103 -3.731 -6.519 -1.946 1.00 0.48 C ATOM 841 CG ARG A2103 -2.588 -7.438 -1.585 1.00 0.94 C ATOM 842 CD ARG A2103 -3.093 -8.743 -1.005 1.00 0.77 C ATOM 843 NE ARG A2103 -3.638 -9.619 -2.042 1.00 0.94 N ATOM 844 CZ ARG A2103 -4.898 -10.051 -2.088 1.00 1.48 C ATOM 845 NH1 ARG A2103 -5.777 -9.686 -1.159 1.00 2.43 N ATOM 846 NH2 ARG A2103 -5.282 -10.852 -3.069 1.00 1.60 N ATOM 0 H ARG A2103 -5.291 -4.736 -2.508 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.549 -4.734 -2.117 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.244 -6.213 -1.034 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.454 -7.068 -2.549 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -1.987 -7.640 -2.472 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.936 -6.945 -0.864 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.279 -9.252 -0.489 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.862 -8.537 -0.261 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.007 -9.921 -2.784 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -5.490 -9.068 -0.400 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -6.738 -10.024 -1.206 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -4.615 -11.136 -3.786 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.245 -11.185 -3.108 1.00 1.60 H new ATOM 860 N ASN A2104 -3.462 -5.991 -5.027 1.00 0.33 N ATOM 861 CA ASN A2104 -2.986 -6.298 -6.375 1.00 0.38 C ATOM 862 C ASN A2104 -2.030 -5.225 -6.871 1.00 0.39 C ATOM 863 O ASN A2104 -0.934 -5.523 -7.342 1.00 0.48 O ATOM 864 CB ASN A2104 -4.168 -6.418 -7.344 1.00 0.39 C ATOM 865 CG ASN A2104 -4.893 -7.742 -7.230 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.303 -8.758 -6.864 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.175 -7.746 -7.556 1.00 0.44 N ATOM 0 H ASN A2104 -4.476 -6.033 -4.926 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.455 -7.249 -6.334 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.871 -5.607 -7.153 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.808 -6.294 -8.365 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.711 -8.613 -7.509 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.628 -6.882 -7.855 1.00 0.44 H new ATOM 874 N THR A2105 -2.446 -3.976 -6.733 1.00 0.33 N ATOM 875 CA THR A2105 -1.636 -2.847 -7.151 1.00 0.39 C ATOM 876 C THR A2105 -0.353 -2.766 -6.317 1.00 0.42 C ATOM 877 O THR A2105 0.737 -2.538 -6.846 1.00 0.51 O ATOM 878 CB THR A2105 -2.431 -1.534 -7.011 1.00 0.41 C ATOM 879 OG1 THR A2105 -3.737 -1.695 -7.590 1.00 0.46 O ATOM 880 CG2 THR A2105 -1.710 -0.385 -7.699 1.00 0.51 C ATOM 0 H THR A2105 -3.348 -3.719 -6.331 1.00 0.33 H new ATOM 0 HA THR A2105 -1.368 -2.991 -8.198 1.00 0.39 H new ATOM 0 HB THR A2105 -2.522 -1.300 -5.950 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.280 -2.274 -7.016 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.292 0.530 -7.585 1.00 0.51 H new ATOM 0 HG22 THR A2105 -0.728 -0.249 -7.247 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.593 -0.611 -8.759 1.00 0.51 H new ATOM 888 N LEU A2106 -0.494 -2.986 -5.014 1.00 0.42 N ATOM 889 CA LEU A2106 0.634 -2.941 -4.086 1.00 0.55 C ATOM 890 C LEU A2106 1.628 -4.067 -4.370 1.00 0.54 C ATOM 891 O LEU A2106 2.841 -3.868 -4.325 1.00 0.56 O ATOM 892 CB LEU A2106 0.122 -3.042 -2.646 1.00 0.74 C ATOM 893 CG LEU A2106 -0.853 -1.940 -2.227 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.346 -2.177 -0.810 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.201 -0.569 -2.344 1.00 0.81 C ATOM 0 H LEU A2106 -1.388 -3.200 -4.572 1.00 0.42 H new ATOM 0 HA LEU A2106 1.153 -1.992 -4.222 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.367 -4.007 -2.517 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.977 -3.026 -1.970 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.710 -1.968 -2.900 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.038 -1.384 -0.528 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.856 -3.139 -0.758 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.498 -2.178 -0.125 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -0.912 0.199 -2.041 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.676 -0.527 -1.698 1.00 0.81 H new ATOM 0 HD23 LEU A2106 0.101 -0.397 -3.377 1.00 0.81 H new ATOM 907 N THR A2107 1.104 -5.245 -4.675 1.00 0.56 N ATOM 908 CA THR A2107 1.929 -6.405 -4.977 1.00 0.62 C ATOM 909 C THR A2107 2.583 -6.238 -6.352 1.00 0.60 C ATOM 910 O THR A2107 3.670 -6.756 -6.612 1.00 0.64 O ATOM 911 CB THR A2107 1.086 -7.702 -4.949 1.00 0.69 C ATOM 912 OG1 THR A2107 0.237 -7.706 -3.795 1.00 0.73 O ATOM 913 CG2 THR A2107 1.967 -8.939 -4.911 1.00 0.81 C ATOM 0 H THR A2107 0.101 -5.423 -4.720 1.00 0.56 H new ATOM 0 HA THR A2107 2.705 -6.482 -4.215 1.00 0.62 H new ATOM 0 HB THR A2107 0.489 -7.726 -5.861 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.586 -7.212 -3.992 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.341 -9.831 -4.892 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.603 -8.960 -5.796 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.591 -8.914 -4.017 1.00 0.81 H new ATOM 921 N HIS A2108 1.906 -5.497 -7.223 1.00 0.58 N ATOM 922 CA HIS A2108 2.406 -5.224 -8.565 1.00 0.62 C ATOM 923 C HIS A2108 3.540 -4.200 -8.520 1.00 0.60 C ATOM 924 O HIS A2108 4.375 -4.150 -9.425 1.00 0.68 O ATOM 925 CB HIS A2108 1.263 -4.723 -9.459 1.00 0.68 C ATOM 926 CG HIS A2108 1.647 -4.511 -10.894 1.00 1.20 C ATOM 927 ND1 HIS A2108 1.744 -5.537 -11.806 1.00 1.74 N ATOM 928 CD2 HIS A2108 1.954 -3.380 -11.571 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.096 -5.049 -12.980 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.230 -3.741 -12.866 1.00 2.81 N ATOM 0 H HIS A2108 1.001 -5.071 -7.020 1.00 0.58 H new ATOM 0 HA HIS A2108 2.801 -6.149 -8.985 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.444 -5.441 -9.417 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.886 -3.784 -9.054 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.977 -2.379 -11.167 1.00 2.24 H new ATOM 0 HE1 HIS A2108 2.249 -5.623 -13.882 1.00 2.48 H new ATOM 0 HE2 HIS A2108 2.495 -3.103 -13.617 1.00 2.81 H new ATOM 939 N ASN A2109 3.557 -3.383 -7.469 1.00 0.57 N ATOM 940 CA ASN A2109 4.615 -2.389 -7.278 1.00 0.64 C ATOM 941 C ASN A2109 5.983 -3.052 -7.218 1.00 0.66 C ATOM 942 O ASN A2109 6.902 -2.685 -7.949 1.00 0.85 O ATOM 943 CB ASN A2109 4.391 -1.620 -5.971 1.00 0.82 C ATOM 944 CG ASN A2109 5.585 -0.753 -5.580 1.00 1.61 C ATOM 945 OD1 ASN A2109 5.914 -0.626 -4.402 1.00 1.85 O ATOM 946 ND2 ASN A2109 6.237 -0.148 -6.557 1.00 2.60 N ATOM 0 H ASN A2109 2.849 -3.389 -6.734 1.00 0.57 H new ATOM 0 HA ASN A2109 4.581 -1.706 -8.127 1.00 0.64 H new ATOM 0 HB2 ASN A2109 3.508 -0.989 -6.073 1.00 0.82 H new ATOM 0 HB3 ASN A2109 4.185 -2.329 -5.169 1.00 0.82 H new ATOM 0 HD21 ASN A2109 7.039 0.445 -6.344 1.00 2.60 H new ATOM 0 HD22 ASN A2109 5.938 -0.274 -7.524 1.00 2.60 H new ATOM 953 N THR A2110 6.093 -4.045 -6.363 1.00 0.65 N ATOM 954 CA THR A2110 7.378 -4.623 -6.033 1.00 0.78 C ATOM 955 C THR A2110 7.591 -5.992 -6.672 1.00 0.81 C ATOM 956 O THR A2110 8.709 -6.509 -6.701 1.00 1.02 O ATOM 957 CB THR A2110 7.498 -4.711 -4.512 1.00 0.83 C ATOM 958 OG1 THR A2110 6.286 -5.252 -3.967 1.00 0.72 O ATOM 959 CG2 THR A2110 7.746 -3.329 -3.933 1.00 1.03 C ATOM 0 H THR A2110 5.302 -4.472 -5.880 1.00 0.65 H new ATOM 0 HA THR A2110 8.157 -3.977 -6.438 1.00 0.78 H new ATOM 0 HB THR A2110 8.334 -5.361 -4.254 1.00 0.83 H new ATOM 0 HG1 THR A2110 6.363 -5.310 -2.992 1.00 0.72 H new ATOM 0 HG21 THR A2110 7.831 -3.399 -2.849 1.00 1.03 H new ATOM 0 HG22 THR A2110 8.670 -2.923 -4.344 1.00 1.03 H new ATOM 0 HG23 THR A2110 6.915 -2.672 -4.191 1.00 1.03 H new ATOM 967 N GLY A2111 6.519 -6.589 -7.171 1.00 0.72 N ATOM 968 CA GLY A2111 6.639 -7.852 -7.873 1.00 0.86 C ATOM 969 C GLY A2111 6.826 -9.029 -6.937 1.00 0.88 C ATOM 970 O GLY A2111 6.820 -10.183 -7.371 1.00 1.05 O ATOM 0 H GLY A2111 5.569 -6.223 -7.103 1.00 0.72 H new ATOM 0 HA2 GLY A2111 5.746 -8.013 -8.477 1.00 0.86 H new ATOM 0 HA3 GLY A2111 7.484 -7.802 -8.560 1.00 0.86 H new ATOM 974 N LEU A2112 7.010 -8.739 -5.656 1.00 0.84 N ATOM 975 CA LEU A2112 7.154 -9.774 -4.644 1.00 0.92 C ATOM 976 C LEU A2112 5.796 -10.347 -4.284 1.00 0.80 C ATOM 977 O LEU A2112 4.796 -10.040 -4.929 1.00 0.97 O ATOM 978 CB LEU A2112 7.870 -9.214 -3.402 1.00 1.21 C ATOM 979 CG LEU A2112 7.341 -7.882 -2.848 1.00 1.05 C ATOM 980 CD1 LEU A2112 6.027 -8.057 -2.098 1.00 1.45 C ATOM 981 CD2 LEU A2112 8.377 -7.243 -1.943 1.00 1.34 C ATOM 0 H LEU A2112 7.063 -7.788 -5.292 1.00 0.84 H new ATOM 0 HA LEU A2112 7.766 -10.581 -5.047 1.00 0.92 H new ATOM 0 HB2 LEU A2112 7.812 -9.960 -2.609 1.00 1.21 H new ATOM 0 HB3 LEU A2112 8.925 -9.088 -3.644 1.00 1.21 H new ATOM 0 HG LEU A2112 7.149 -7.228 -3.698 1.00 1.05 H new ATOM 0 HD11 LEU A2112 5.690 -7.090 -1.724 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.275 -8.467 -2.772 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.174 -8.739 -1.260 1.00 1.45 H new ATOM 0 HD21 LEU A2112 7.991 -6.300 -1.557 1.00 1.34 H new ATOM 0 HD22 LEU A2112 8.597 -7.913 -1.112 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.289 -7.056 -2.509 1.00 1.34 H new ATOM 993 N ASP A2113 5.759 -11.174 -3.262 1.00 0.77 N ATOM 994 CA ASP A2113 4.524 -11.829 -2.876 1.00 0.77 C ATOM 995 C ASP A2113 3.923 -11.142 -1.664 1.00 0.92 C ATOM 996 O ASP A2113 4.644 -10.706 -0.763 1.00 1.14 O ATOM 997 CB ASP A2113 4.778 -13.305 -2.595 1.00 0.83 C ATOM 998 CG ASP A2113 3.500 -14.079 -2.343 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.095 -14.204 -1.169 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.886 -14.567 -3.316 1.00 1.18 O ATOM 0 H ASP A2113 6.566 -11.410 -2.684 1.00 0.77 H new ATOM 0 HA ASP A2113 3.811 -11.755 -3.697 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.305 -13.747 -3.441 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.432 -13.399 -1.728 1.00 0.83 H new ATOM 1005 N LEU A2114 2.609 -11.030 -1.658 1.00 1.05 N ATOM 1006 CA LEU A2114 1.909 -10.316 -0.610 1.00 1.34 C ATOM 1007 C LEU A2114 0.669 -11.106 -0.199 1.00 1.00 C ATOM 1008 O LEU A2114 -0.085 -11.570 -1.056 1.00 1.04 O ATOM 1009 CB LEU A2114 1.526 -8.925 -1.125 1.00 1.98 C ATOM 1010 CG LEU A2114 1.508 -7.805 -0.083 1.00 2.33 C ATOM 1011 CD1 LEU A2114 2.879 -7.650 0.562 1.00 2.71 C ATOM 1012 CD2 LEU A2114 1.079 -6.496 -0.728 1.00 2.95 C ATOM 0 H LEU A2114 2.001 -11.428 -2.374 1.00 1.05 H new ATOM 0 HA LEU A2114 2.550 -10.203 0.265 1.00 1.34 H new ATOM 0 HB2 LEU A2114 2.223 -8.647 -1.916 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.537 -8.987 -1.579 1.00 1.98 H new ATOM 0 HG LEU A2114 0.790 -8.067 0.694 1.00 2.33 H new ATOM 0 HD11 LEU A2114 2.845 -6.849 1.300 1.00 2.71 H new ATOM 0 HD12 LEU A2114 3.158 -8.583 1.052 1.00 2.71 H new ATOM 0 HD13 LEU A2114 3.616 -7.407 -0.204 1.00 2.71 H new ATOM 0 HD21 LEU A2114 1.070 -5.706 0.023 1.00 2.95 H new ATOM 0 HD22 LEU A2114 1.779 -6.234 -1.521 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.080 -6.608 -1.149 1.00 2.95 H new ATOM 1024 N PRO A2115 0.454 -11.285 1.116 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.659 -12.088 1.647 1.00 0.64 C ATOM 1026 C PRO A2115 -2.018 -11.498 1.301 1.00 0.57 C ATOM 1027 O PRO A2115 -2.195 -10.285 1.327 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.454 -12.031 3.164 1.00 0.76 C ATOM 1029 CG PRO A2115 0.379 -10.821 3.393 1.00 0.98 C ATOM 1030 CD PRO A2115 1.272 -10.707 2.194 1.00 1.10 C ATOM 0 HA PRO A2115 -0.656 -13.095 1.230 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.407 -11.960 3.689 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.045 -12.929 3.529 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.243 -9.933 3.503 1.00 0.98 H new ATOM 0 HG3 PRO A2115 0.963 -10.916 4.308 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.539 -9.671 1.987 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.204 -11.255 2.331 1.00 1.10 H new ATOM 1038 N PRO A2116 -3.004 -12.360 0.993 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.371 -11.929 0.678 1.00 0.62 C ATOM 1040 C PRO A2116 -5.005 -11.175 1.836 1.00 0.58 C ATOM 1041 O PRO A2116 -5.938 -10.395 1.654 1.00 0.68 O ATOM 1042 CB PRO A2116 -5.130 -13.234 0.426 1.00 0.73 C ATOM 1043 CG PRO A2116 -4.084 -14.261 0.179 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.860 -13.822 0.929 1.00 0.63 C ATOM 0 HA PRO A2116 -4.390 -11.248 -0.172 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.747 -13.501 1.284 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.798 -13.140 -0.430 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.416 -15.241 0.521 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.873 -14.350 -0.887 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -2.818 -14.265 1.924 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.946 -14.113 0.412 1.00 0.63 H new ATOM 1052 N THR A2117 -4.465 -11.399 3.018 1.00 0.54 N ATOM 1053 CA THR A2117 -4.958 -10.766 4.234 1.00 0.59 C ATOM 1054 C THR A2117 -4.359 -9.376 4.414 1.00 0.50 C ATOM 1055 O THR A2117 -4.605 -8.713 5.412 1.00 0.54 O ATOM 1056 CB THR A2117 -4.631 -11.622 5.466 1.00 0.73 C ATOM 1057 OG1 THR A2117 -3.277 -12.092 5.378 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.587 -12.799 5.577 1.00 0.86 C ATOM 0 H THR A2117 -3.673 -12.024 3.167 1.00 0.54 H new ATOM 0 HA THR A2117 -6.040 -10.674 4.136 1.00 0.59 H new ATOM 0 HB THR A2117 -4.745 -11.008 6.359 1.00 0.73 H new ATOM 0 HG1 THR A2117 -3.068 -12.637 6.165 1.00 0.74 H new ATOM 0 HG21 THR A2117 -5.335 -13.390 6.457 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.609 -12.431 5.667 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.503 -13.421 4.686 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.561 -8.969 3.437 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.904 -7.663 3.418 1.00 0.45 C ATOM 1068 C LEU A2118 -3.823 -6.532 3.897 1.00 0.41 C ATOM 1069 O LEU A2118 -3.622 -5.970 4.977 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.437 -7.391 1.987 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.282 -6.416 1.818 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.763 -4.982 1.881 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.218 -6.687 2.859 1.00 0.65 C ATOM 0 H LEU A2118 -3.346 -9.543 2.622 1.00 0.45 H new ATOM 0 HA LEU A2118 -2.062 -7.688 4.110 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -2.149 -8.341 1.537 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.287 -7.014 1.418 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.843 -6.565 0.831 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.915 -4.308 1.757 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.486 -4.806 1.085 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.234 -4.798 2.847 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.605 -5.984 2.730 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.645 -6.567 3.855 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.153 -7.705 2.743 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.832 -6.214 3.094 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.743 -5.112 3.396 1.00 0.40 C ATOM 1087 C ILE A2119 -6.714 -5.513 4.505 1.00 0.42 C ATOM 1088 O ILE A2119 -7.317 -4.669 5.164 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.530 -4.691 2.130 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.566 -4.392 0.978 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.411 -3.476 2.405 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.681 -3.190 1.212 1.00 0.33 C ATOM 0 H ILE A2119 -5.042 -6.705 2.225 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.150 -4.263 3.736 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.176 -5.522 1.847 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.937 -5.266 0.809 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.143 -4.233 0.067 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -7.950 -3.205 1.497 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.125 -3.715 3.194 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.788 -2.639 2.721 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.028 -3.046 0.351 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.300 -2.304 1.351 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.075 -3.352 2.103 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.837 -6.815 4.714 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.702 -7.358 5.743 1.00 0.53 C ATOM 1106 C PHE A2120 -7.122 -7.063 7.124 1.00 0.52 C ATOM 1107 O PHE A2120 -7.844 -6.722 8.062 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.835 -8.877 5.559 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.576 -9.322 4.318 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.539 -10.316 4.400 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -8.305 -8.764 3.077 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.217 -10.742 3.274 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.981 -9.184 1.947 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.938 -10.175 2.046 1.00 3.43 C ATOM 0 H PHE A2120 -6.339 -7.522 4.174 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.684 -6.893 5.660 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.836 -9.312 5.539 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -8.344 -9.288 6.431 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.762 -10.764 5.357 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.556 -7.991 2.993 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -10.964 -11.518 3.354 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.761 -8.738 0.988 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.467 -10.506 1.165 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.806 -7.180 7.226 1.00 0.48 N ATOM 1125 CA ASP A2121 -5.117 -7.069 8.503 1.00 0.49 C ATOM 1126 C ASP A2121 -4.662 -5.646 8.780 1.00 0.45 C ATOM 1127 O ASP A2121 -4.797 -5.157 9.900 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.906 -7.996 8.532 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.916 -8.916 9.732 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.784 -8.424 10.869 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -4.048 -10.142 9.541 1.00 2.00 O ATOM 0 H ASP A2121 -5.190 -7.353 6.432 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.827 -7.358 9.278 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -3.886 -8.592 7.620 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.994 -7.399 8.542 1.00 0.50 H new ATOM 1136 N HIS A2122 -4.115 -4.979 7.768 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.560 -3.639 7.970 1.00 0.37 C ATOM 1138 C HIS A2122 -4.203 -2.627 7.039 1.00 0.34 C ATOM 1139 O HIS A2122 -3.520 -2.091 6.168 1.00 0.32 O ATOM 1140 CB HIS A2122 -2.036 -3.600 7.716 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.313 -4.879 8.006 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.849 -5.214 9.258 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.969 -5.908 7.190 1.00 0.51 C ATOM 1144 CE1 HIS A2122 -0.250 -6.387 9.204 1.00 0.71 C ATOM 1145 NE2 HIS A2122 -0.309 -6.832 7.963 1.00 0.63 N ATOM 0 H HIS A2122 -4.043 -5.334 6.815 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.768 -3.386 9.009 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.863 -3.331 6.674 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.601 -2.808 8.326 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -1.175 -5.985 6.133 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.212 -6.898 10.036 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.073 -7.718 7.632 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.505 -2.327 7.156 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.060 -1.297 6.309 1.00 0.34 C ATOM 1156 C PRO A2123 -5.771 0.086 6.878 1.00 0.32 C ATOM 1157 O PRO A2123 -6.420 0.539 7.822 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.557 -1.601 6.348 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.789 -2.258 7.671 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.493 -2.920 8.068 1.00 0.41 C ATOM 0 HA PRO A2123 -5.645 -1.293 5.301 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.147 -0.689 6.252 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.847 -2.256 5.527 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.092 -1.524 8.418 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.592 -2.992 7.602 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.245 -2.722 9.111 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.545 -4.003 7.953 1.00 0.41 H new ATOM 1168 N THR A2124 -4.815 0.752 6.250 1.00 0.27 N ATOM 1169 CA THR A2124 -4.450 2.127 6.550 1.00 0.23 C ATOM 1170 C THR A2124 -3.362 2.566 5.574 1.00 0.22 C ATOM 1171 O THR A2124 -2.448 1.788 5.300 1.00 0.26 O ATOM 1172 CB THR A2124 -3.947 2.323 7.998 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.665 1.057 8.610 1.00 0.50 O ATOM 1174 CG2 THR A2124 -4.961 3.083 8.837 1.00 0.29 C ATOM 0 H THR A2124 -4.258 0.342 5.500 1.00 0.27 H new ATOM 0 HA THR A2124 -5.349 2.734 6.446 1.00 0.23 H new ATOM 0 HB THR A2124 -3.030 2.910 7.950 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.346 1.200 9.526 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.577 3.204 9.850 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.136 4.064 8.395 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.898 2.526 8.868 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.423 3.782 5.029 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.441 4.236 4.037 1.00 0.18 C ATOM 1184 C PRO A2125 -1.012 4.213 4.582 1.00 0.17 C ATOM 1185 O PRO A2125 -0.127 3.565 4.014 1.00 0.20 O ATOM 1186 CB PRO A2125 -2.881 5.669 3.723 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.312 5.729 4.143 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.432 4.806 5.319 1.00 0.24 C ATOM 0 HA PRO A2125 -2.418 3.588 3.161 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.278 6.396 4.267 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.770 5.893 2.662 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.598 6.746 4.413 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -4.971 5.417 3.332 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.229 5.319 6.259 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.432 4.379 5.398 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.804 4.885 5.708 1.00 0.23 N ATOM 1197 CA HIS A2126 0.526 5.008 6.294 1.00 0.31 C ATOM 1198 C HIS A2126 1.015 3.675 6.855 1.00 0.29 C ATOM 1199 O HIS A2126 2.213 3.399 6.866 1.00 0.32 O ATOM 1200 CB HIS A2126 0.521 6.073 7.394 1.00 0.45 C ATOM 1201 CG HIS A2126 1.838 6.234 8.094 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.947 6.807 7.507 1.00 0.65 N ATOM 1203 CD2 HIS A2126 2.220 5.871 9.340 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.953 6.784 8.361 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.538 6.225 9.481 1.00 0.80 N ATOM 0 H HIS A2126 -1.541 5.354 6.235 1.00 0.23 H new ATOM 0 HA HIS A2126 1.213 5.311 5.504 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.234 7.030 6.958 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.241 5.817 8.130 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.602 5.392 10.085 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.948 7.160 8.174 1.00 0.77 H new ATOM 0 HE2 HIS A2126 4.105 6.079 10.316 1.00 0.80 H new ATOM 1214 N ALA A2127 0.091 2.852 7.324 1.00 0.28 N ATOM 1215 CA ALA A2127 0.453 1.569 7.906 1.00 0.29 C ATOM 1216 C ALA A2127 0.916 0.595 6.832 1.00 0.26 C ATOM 1217 O ALA A2127 1.914 -0.108 7.015 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.708 0.999 8.688 1.00 0.34 C ATOM 0 H ALA A2127 -0.910 3.047 7.314 1.00 0.28 H new ATOM 0 HA ALA A2127 1.285 1.727 8.593 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.421 0.039 9.117 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -0.981 1.687 9.488 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.561 0.859 8.023 1.00 0.34 H new ATOM 1224 N LEU A2128 0.191 0.551 5.715 1.00 0.22 N ATOM 1225 CA LEU A2128 0.628 -0.219 4.559 1.00 0.21 C ATOM 1226 C LEU A2128 2.013 0.230 4.114 1.00 0.21 C ATOM 1227 O LEU A2128 2.844 -0.591 3.725 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.345 -0.060 3.393 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.662 -0.811 3.529 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.437 -0.735 2.229 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.408 -2.259 3.929 1.00 0.64 C ATOM 0 H LEU A2128 -0.696 1.038 5.589 1.00 0.22 H new ATOM 0 HA LEU A2128 0.659 -1.268 4.855 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.563 1.000 3.267 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.151 -0.394 2.481 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.258 -0.345 4.313 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.378 -1.275 2.334 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.642 0.308 1.988 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.849 -1.184 1.428 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.359 -2.783 4.022 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.799 -2.745 3.167 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.884 -2.286 4.884 1.00 0.64 H new ATOM 1243 N THR A2129 2.242 1.543 4.177 1.00 0.21 N ATOM 1244 CA THR A2129 3.536 2.130 3.842 1.00 0.24 C ATOM 1245 C THR A2129 4.662 1.399 4.550 1.00 0.25 C ATOM 1246 O THR A2129 5.612 0.932 3.925 1.00 0.33 O ATOM 1247 CB THR A2129 3.587 3.620 4.241 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.595 4.358 3.516 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.967 4.217 3.991 1.00 0.32 C ATOM 0 H THR A2129 1.538 2.225 4.460 1.00 0.21 H new ATOM 0 HA THR A2129 3.662 2.038 2.763 1.00 0.24 H new ATOM 0 HB THR A2129 3.380 3.688 5.309 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.702 4.053 3.781 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.967 5.267 4.283 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.709 3.677 4.579 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.213 4.135 2.932 1.00 0.32 H new ATOM 1257 N GLN A2130 4.525 1.287 5.854 1.00 0.25 N ATOM 1258 CA GLN A2130 5.531 0.661 6.682 1.00 0.28 C ATOM 1259 C GLN A2130 5.692 -0.811 6.341 1.00 0.23 C ATOM 1260 O GLN A2130 6.798 -1.341 6.378 1.00 0.22 O ATOM 1261 CB GLN A2130 5.136 0.834 8.135 1.00 0.38 C ATOM 1262 CG GLN A2130 4.843 2.279 8.485 1.00 0.52 C ATOM 1263 CD GLN A2130 6.096 3.099 8.711 1.00 1.39 C ATOM 1264 OE1 GLN A2130 7.142 2.846 8.111 1.00 2.22 O ATOM 1265 NE2 GLN A2130 6.004 4.074 9.594 1.00 1.90 N ATOM 0 H GLN A2130 3.713 1.628 6.369 1.00 0.25 H new ATOM 0 HA GLN A2130 6.494 1.138 6.499 1.00 0.28 H new ATOM 0 HB2 GLN A2130 4.256 0.226 8.344 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.938 0.464 8.773 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.260 2.730 7.682 1.00 0.52 H new ATOM 0 HG3 GLN A2130 4.227 2.312 9.384 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.119 4.250 10.069 1.00 1.90 H new ATOM 0 HE22 GLN A2130 6.818 4.652 9.802 1.00 1.90 H new ATOM 1274 N HIS A2131 4.592 -1.468 5.994 1.00 0.25 N ATOM 1275 CA HIS A2131 4.637 -2.884 5.653 1.00 0.27 C ATOM 1276 C HIS A2131 5.401 -3.107 4.360 1.00 0.26 C ATOM 1277 O HIS A2131 6.321 -3.922 4.302 1.00 0.30 O ATOM 1278 CB HIS A2131 3.233 -3.468 5.516 1.00 0.32 C ATOM 1279 CG HIS A2131 3.242 -4.913 5.119 1.00 0.40 C ATOM 1280 ND1 HIS A2131 2.745 -5.529 4.023 1.00 0.52 N flip ATOM 1281 CD2 HIS A2131 3.871 -5.891 5.854 1.00 0.42 C flip ATOM 1282 CE1 HIS A2131 3.087 -6.858 4.113 1.00 0.59 C flip ATOM 1283 NE2 HIS A2131 3.769 -7.047 5.228 1.00 0.53 N flip ATOM 0 H HIS A2131 3.665 -1.047 5.942 1.00 0.25 H new ATOM 0 HA HIS A2131 5.152 -3.393 6.467 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.705 -3.359 6.463 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.677 -2.895 4.774 1.00 0.32 H new ATOM 0 HD2 HIS A2131 4.371 -5.736 6.798 1.00 0.42 H new ATOM 0 HE1 HIS A2131 2.839 -7.622 3.391 1.00 0.59 H new ATOM 0 HE2 HIS A2131 4.152 -7.936 5.550 1.00 0.53 H new ATOM 1292 N LEU A2132 5.002 -2.395 3.320 1.00 0.27 N ATOM 1293 CA LEU A2132 5.674 -2.500 2.030 1.00 0.33 C ATOM 1294 C LEU A2132 7.114 -2.015 2.142 1.00 0.35 C ATOM 1295 O LEU A2132 7.992 -2.485 1.424 1.00 0.47 O ATOM 1296 CB LEU A2132 4.925 -1.722 0.940 1.00 0.36 C ATOM 1297 CG LEU A2132 3.723 -2.447 0.306 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.126 -3.820 -0.216 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.572 -2.572 1.294 1.00 0.42 C ATOM 0 H LEU A2132 4.220 -1.740 3.340 1.00 0.27 H new ATOM 0 HA LEU A2132 5.678 -3.551 1.740 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.575 -0.782 1.366 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.632 -1.470 0.149 1.00 0.36 H new ATOM 0 HG LEU A2132 3.384 -1.845 -0.537 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.259 -4.310 -0.658 1.00 0.48 H new ATOM 0 HD12 LEU A2132 4.904 -3.708 -0.971 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.504 -4.426 0.608 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.738 -3.088 0.818 1.00 0.42 H new ATOM 0 HD22 LEU A2132 2.900 -3.139 2.165 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.252 -1.578 1.608 1.00 0.42 H new ATOM 1311 N HIS A2133 7.354 -1.092 3.067 1.00 0.28 N ATOM 1312 CA HIS A2133 8.702 -0.622 3.345 1.00 0.34 C ATOM 1313 C HIS A2133 9.545 -1.765 3.909 1.00 0.38 C ATOM 1314 O HIS A2133 10.696 -1.950 3.518 1.00 0.55 O ATOM 1315 CB HIS A2133 8.648 0.559 4.319 1.00 0.36 C ATOM 1316 CG HIS A2133 9.981 1.152 4.653 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.506 1.165 5.927 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.881 1.791 3.872 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.666 1.792 5.915 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.920 2.181 4.681 1.00 0.63 N ATOM 0 H HIS A2133 6.630 -0.655 3.637 1.00 0.28 H new ATOM 0 HA HIS A2133 9.168 -0.281 2.421 1.00 0.34 H new ATOM 0 HB2 HIS A2133 8.016 1.337 3.891 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.170 0.231 5.242 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.798 1.963 2.809 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.301 1.959 6.772 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.751 2.688 4.377 1.00 0.63 H new ATOM 1329 N THR A2134 8.946 -2.538 4.811 1.00 0.32 N ATOM 1330 CA THR A2134 9.585 -3.715 5.381 1.00 0.43 C ATOM 1331 C THR A2134 9.909 -4.742 4.295 1.00 0.51 C ATOM 1332 O THR A2134 10.929 -5.426 4.356 1.00 0.66 O ATOM 1333 CB THR A2134 8.667 -4.355 6.443 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.362 -3.399 7.469 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.316 -5.573 7.071 1.00 0.74 C ATOM 0 H THR A2134 8.005 -2.364 5.165 1.00 0.32 H new ATOM 0 HA THR A2134 10.517 -3.400 5.850 1.00 0.43 H new ATOM 0 HB THR A2134 7.750 -4.669 5.944 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.791 -2.694 7.100 1.00 0.59 H new ATOM 0 HG21 THR A2134 8.644 -6.001 7.815 1.00 0.74 H new ATOM 0 HG22 THR A2134 9.522 -6.314 6.299 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.250 -5.281 7.551 1.00 0.74 H new ATOM 1343 N ARG A2135 9.057 -4.820 3.283 1.00 0.52 N ATOM 1344 CA ARG A2135 9.244 -5.777 2.199 1.00 0.71 C ATOM 1345 C ARG A2135 10.465 -5.411 1.357 1.00 0.88 C ATOM 1346 O ARG A2135 10.973 -6.228 0.590 1.00 1.12 O ATOM 1347 CB ARG A2135 8.003 -5.814 1.306 1.00 0.76 C ATOM 1348 CG ARG A2135 6.726 -6.154 2.052 1.00 0.74 C ATOM 1349 CD ARG A2135 6.761 -7.570 2.598 1.00 0.86 C ATOM 1350 NE ARG A2135 6.632 -8.575 1.542 1.00 1.75 N ATOM 1351 CZ ARG A2135 7.437 -9.631 1.408 1.00 2.11 C ATOM 1352 NH1 ARG A2135 8.446 -9.819 2.251 1.00 1.86 N ATOM 1353 NH2 ARG A2135 7.218 -10.512 0.440 1.00 3.18 N ATOM 0 H ARG A2135 8.229 -4.232 3.189 1.00 0.52 H new ATOM 0 HA ARG A2135 9.402 -6.761 2.641 1.00 0.71 H new ATOM 0 HB2 ARG A2135 7.884 -4.844 0.823 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.157 -6.547 0.514 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.584 -5.450 2.872 1.00 0.74 H new ATOM 0 HG3 ARG A2135 5.872 -6.041 1.384 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.697 -7.727 3.134 1.00 0.86 H new ATOM 0 HD3 ARG A2135 5.955 -7.699 3.320 1.00 0.86 H new ATOM 0 HE ARG A2135 5.878 -8.461 0.865 1.00 1.75 H new ATOM 0 HH11 ARG A2135 8.610 -9.154 3.007 1.00 1.86 H new ATOM 0 HH12 ARG A2135 9.057 -10.628 2.142 1.00 1.86 H new ATOM 0 HH21 ARG A2135 6.435 -10.382 -0.201 1.00 3.18 H new ATOM 0 HH22 ARG A2135 7.833 -11.319 0.337 1.00 3.18 H new