USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 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 Set 1.1: A2059 GLN : amide:sc= 0 X(o=-0.35,f=-0.43) USER MOD Set 1.2: A2133 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.086) USER MOD Set 2.1: A2126 HIS : no HD1:sc= -0.166 X(o=-0.34,f=-0.0028) USER MOD Set 2.2: A2130 GLN : amide:sc= -0.17 K(o=-0.34,f=-0.95) USER MOD Single : A2060 GLN : amide:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A2061 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A2062 THR OG1 : rot 180:sc= 0 USER MOD Single : A2065 THR OG1 : rot 75:sc= 1.29 USER MOD Single : A2071 THR OG1 : rot 153:sc= 0.464 USER MOD Single : A2073 THR OG1 : rot 57:sc= 1.24 USER MOD Single : A2079 THR OG1 : rot 25:sc= 0.154 USER MOD Single : A2082 SER OG : rot -39:sc= 0.576 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -150:sc= -1.74! USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0.14 USER MOD Single : A2098 THR OG1 : rot -160:sc= 0.575 USER MOD Single : A2104 ASN : amide:sc= -1.99! X(o=-2!,f=-1.6) USER MOD Single : A2105 THR OG1 : rot 72:sc= 0.734 USER MOD Single : A2107 THR OG1 : rot 72:sc= 1 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A2109 ASN : amide:sc= -6.07! C(o=-6.1!,f=-8.7!) USER MOD Single : A2110 THR OG1 : rot -78:sc= 0.998 USER MOD Single : A2117 THR OG1 : rot 180:sc= 0.00578 USER MOD Single : A2122 HIS :FLIP no HE2:sc= -0.205 F(o=-1.1,f=-0.21) USER MOD Single : A2124 THR OG1 : rot -72:sc= -0.696 USER MOD Single : A2129 THR OG1 : rot 63:sc= -0.495 USER MOD Single : A2131 HIS : no HD1:sc=-0.00474 X(o=-0.0047,f=0) USER MOD Single : A2134 THR OG1 : rot 70:sc= 0.526 USER MOD ----------------------------------------------------------------- ATOM 198 N GLN A2059 11.924 6.497 1.494 1.00 0.87 N ATOM 199 CA GLN A2059 11.048 5.490 0.919 1.00 0.75 C ATOM 200 C GLN A2059 9.594 5.722 1.319 1.00 0.58 C ATOM 201 O GLN A2059 8.696 5.619 0.489 1.00 0.54 O ATOM 202 CB GLN A2059 11.488 4.104 1.379 1.00 0.80 C ATOM 203 CG GLN A2059 12.882 3.709 0.923 1.00 1.17 C ATOM 204 CD GLN A2059 13.329 2.398 1.528 1.00 1.86 C ATOM 205 OE1 GLN A2059 13.936 2.368 2.594 1.00 2.83 O ATOM 206 NE2 GLN A2059 13.014 1.304 0.865 1.00 1.87 N ATOM 0 HA GLN A2059 11.118 5.562 -0.166 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.450 4.066 2.468 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.775 3.367 1.009 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.898 3.630 -0.164 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.588 4.493 1.196 1.00 1.17 H new ATOM 0 HE21 GLN A2059 12.509 1.371 -0.018 1.00 1.87 H new ATOM 0 HE22 GLN A2059 13.276 0.390 1.235 1.00 1.87 H new ATOM 215 N GLN A2060 9.374 6.053 2.586 1.00 0.54 N ATOM 216 CA GLN A2060 8.025 6.165 3.132 1.00 0.45 C ATOM 217 C GLN A2060 7.133 7.115 2.341 1.00 0.44 C ATOM 218 O GLN A2060 5.983 6.787 2.087 1.00 0.42 O ATOM 219 CB GLN A2060 8.075 6.578 4.599 1.00 0.55 C ATOM 220 CG GLN A2060 8.703 5.519 5.484 1.00 0.57 C ATOM 221 CD GLN A2060 8.506 5.796 6.961 1.00 0.81 C ATOM 222 OE1 GLN A2060 7.506 6.389 7.364 1.00 1.38 O ATOM 223 NE2 GLN A2060 9.460 5.380 7.776 1.00 1.01 N ATOM 0 H GLN A2060 10.116 6.250 3.258 1.00 0.54 H new ATOM 0 HA GLN A2060 7.575 5.176 3.048 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.640 7.505 4.692 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.064 6.785 4.949 1.00 0.55 H new ATOM 0 HG2 GLN A2060 8.273 4.547 5.241 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.770 5.459 5.269 1.00 0.57 H new ATOM 0 HE21 GLN A2060 10.274 4.892 7.402 1.00 1.01 H new ATOM 0 HE22 GLN A2060 9.383 5.547 8.779 1.00 1.01 H new ATOM 232 N GLN A2061 7.645 8.272 1.934 1.00 0.58 N ATOM 233 CA GLN A2061 6.824 9.217 1.177 1.00 0.61 C ATOM 234 C GLN A2061 6.358 8.592 -0.136 1.00 0.51 C ATOM 235 O GLN A2061 5.203 8.739 -0.527 1.00 0.45 O ATOM 236 CB GLN A2061 7.573 10.526 0.903 1.00 0.83 C ATOM 237 CG GLN A2061 8.878 10.352 0.155 1.00 0.89 C ATOM 238 CD GLN A2061 9.509 11.671 -0.235 1.00 1.29 C ATOM 239 OE1 GLN A2061 8.819 12.661 -0.480 1.00 1.75 O ATOM 240 NE2 GLN A2061 10.829 11.695 -0.299 1.00 1.97 N ATOM 0 H GLN A2061 8.603 8.576 2.109 1.00 0.58 H new ATOM 0 HA GLN A2061 5.952 9.453 1.787 1.00 0.61 H new ATOM 0 HB2 GLN A2061 6.925 11.189 0.330 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.775 11.021 1.853 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.576 9.790 0.776 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.701 9.759 -0.742 1.00 0.89 H new ATOM 0 HE21 GLN A2061 11.365 10.853 -0.088 1.00 1.97 H new ATOM 0 HE22 GLN A2061 11.311 12.555 -0.559 1.00 1.97 H new ATOM 249 N THR A2062 7.264 7.888 -0.797 1.00 0.53 N ATOM 250 CA THR A2062 6.942 7.151 -2.009 1.00 0.50 C ATOM 251 C THR A2062 5.841 6.128 -1.742 1.00 0.39 C ATOM 252 O THR A2062 4.766 6.181 -2.339 1.00 0.42 O ATOM 253 CB THR A2062 8.200 6.440 -2.546 1.00 0.59 C ATOM 254 OG1 THR A2062 9.166 7.419 -2.951 1.00 0.74 O ATOM 255 CG2 THR A2062 7.872 5.516 -3.711 1.00 0.83 C ATOM 0 H THR A2062 8.240 7.812 -0.510 1.00 0.53 H new ATOM 0 HA THR A2062 6.584 7.859 -2.757 1.00 0.50 H new ATOM 0 HB THR A2062 8.610 5.825 -1.745 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.967 6.967 -3.291 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.785 5.034 -4.061 1.00 0.83 H new ATOM 0 HG22 THR A2062 7.162 4.756 -3.384 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.434 6.096 -4.523 1.00 0.83 H new ATOM 263 N LEU A2063 6.118 5.218 -0.822 1.00 0.37 N ATOM 264 CA LEU A2063 5.192 4.172 -0.443 1.00 0.29 C ATOM 265 C LEU A2063 3.841 4.734 -0.011 1.00 0.22 C ATOM 266 O LEU A2063 2.807 4.302 -0.506 1.00 0.21 O ATOM 267 CB LEU A2063 5.811 3.348 0.680 1.00 0.30 C ATOM 268 CG LEU A2063 6.885 2.344 0.245 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.966 2.987 -0.614 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.507 1.693 1.466 1.00 0.79 C ATOM 0 H LEU A2063 7.002 5.188 -0.314 1.00 0.37 H new ATOM 0 HA LEU A2063 5.008 3.541 -1.312 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.249 4.030 1.409 1.00 0.30 H new ATOM 0 HB3 LEU A2063 5.015 2.805 1.190 1.00 0.30 H new ATOM 0 HG LEU A2063 6.395 1.587 -0.368 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.702 2.234 -0.896 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.515 3.407 -1.513 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.456 3.780 -0.049 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.269 0.981 1.150 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.963 2.458 2.094 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.736 1.171 2.033 1.00 0.79 H new ATOM 282 N ALA A2064 3.863 5.717 0.885 1.00 0.25 N ATOM 283 CA ALA A2064 2.641 6.320 1.421 1.00 0.27 C ATOM 284 C ALA A2064 1.775 6.911 0.319 1.00 0.25 C ATOM 285 O ALA A2064 0.554 7.007 0.452 1.00 0.30 O ATOM 286 CB ALA A2064 2.993 7.398 2.430 1.00 0.37 C ATOM 0 H ALA A2064 4.723 6.118 1.260 1.00 0.25 H new ATOM 0 HA ALA A2064 2.070 5.531 1.910 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.078 7.841 2.823 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.564 6.958 3.248 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.590 8.170 1.944 1.00 0.37 H new ATOM 292 N THR A2065 2.417 7.291 -0.770 1.00 0.24 N ATOM 293 CA THR A2065 1.727 7.905 -1.889 1.00 0.27 C ATOM 294 C THR A2065 1.286 6.830 -2.869 1.00 0.24 C ATOM 295 O THR A2065 0.233 6.935 -3.493 1.00 0.29 O ATOM 296 CB THR A2065 2.616 8.940 -2.599 1.00 0.35 C ATOM 297 OG1 THR A2065 3.142 9.863 -1.633 1.00 0.40 O ATOM 298 CG2 THR A2065 1.831 9.706 -3.653 1.00 0.42 C ATOM 0 H THR A2065 3.423 7.184 -0.904 1.00 0.24 H new ATOM 0 HA THR A2065 0.852 8.429 -1.505 1.00 0.27 H new ATOM 0 HB THR A2065 3.430 8.410 -3.093 1.00 0.35 H new ATOM 0 HG1 THR A2065 3.852 9.427 -1.117 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.485 10.431 -4.138 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.445 9.009 -4.397 1.00 0.42 H new ATOM 0 HG23 THR A2065 0.999 10.228 -3.179 1.00 0.42 H new ATOM 306 N LEU A2066 2.098 5.785 -2.978 1.00 0.21 N ATOM 307 CA LEU A2066 1.755 4.624 -3.777 1.00 0.21 C ATOM 308 C LEU A2066 0.452 4.017 -3.281 1.00 0.18 C ATOM 309 O LEU A2066 -0.508 3.890 -4.031 1.00 0.20 O ATOM 310 CB LEU A2066 2.869 3.579 -3.705 1.00 0.24 C ATOM 311 CG LEU A2066 2.562 2.284 -4.453 1.00 0.30 C ATOM 312 CD1 LEU A2066 2.194 2.595 -5.889 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.740 1.326 -4.388 1.00 0.36 C ATOM 0 H LEU A2066 3.006 5.722 -2.517 1.00 0.21 H new ATOM 0 HA LEU A2066 1.634 4.940 -4.813 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.784 4.011 -4.110 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.064 3.344 -2.659 1.00 0.24 H new ATOM 0 HG LEU A2066 1.714 1.795 -3.973 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.976 1.667 -6.418 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.315 3.239 -5.908 1.00 0.37 H new ATOM 0 HD13 LEU A2066 3.026 3.103 -6.376 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.496 0.411 -4.928 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.614 1.793 -4.842 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.956 1.086 -3.347 1.00 0.36 H new ATOM 325 N VAL A2067 0.456 3.639 -2.011 1.00 0.17 N ATOM 326 CA VAL A2067 -0.740 3.147 -1.318 1.00 0.18 C ATOM 327 C VAL A2067 -1.936 4.025 -1.616 1.00 0.19 C ATOM 328 O VAL A2067 -3.001 3.565 -2.033 1.00 0.22 O ATOM 329 CB VAL A2067 -0.554 3.185 0.206 1.00 0.21 C ATOM 330 CG1 VAL A2067 -1.721 2.515 0.904 1.00 0.51 C ATOM 331 CG2 VAL A2067 0.771 2.584 0.612 1.00 0.64 C ATOM 0 H VAL A2067 1.290 3.663 -1.424 1.00 0.17 H new ATOM 0 HA VAL A2067 -0.898 2.127 -1.668 1.00 0.18 H new ATOM 0 HB VAL A2067 -0.537 4.228 0.523 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -1.570 2.553 1.983 1.00 0.51 H new ATOM 0 HG12 VAL A2067 -2.645 3.034 0.649 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -1.789 1.476 0.583 1.00 0.51 H new ATOM 0 HG21 VAL A2067 0.872 2.626 1.696 1.00 0.64 H new ATOM 0 HG22 VAL A2067 0.816 1.546 0.283 1.00 0.64 H new ATOM 0 HG23 VAL A2067 1.582 3.146 0.150 1.00 0.64 H new ATOM 341 N ALA A2068 -1.727 5.299 -1.367 1.00 0.19 N ATOM 342 CA ALA A2068 -2.747 6.308 -1.529 1.00 0.23 C ATOM 343 C ALA A2068 -3.283 6.346 -2.959 1.00 0.23 C ATOM 344 O ALA A2068 -4.493 6.383 -3.173 1.00 0.29 O ATOM 345 CB ALA A2068 -2.171 7.644 -1.113 1.00 0.27 C ATOM 0 H ALA A2068 -0.833 5.666 -1.042 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.599 6.066 -0.894 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.929 8.419 -1.229 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.858 7.596 -0.070 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.311 7.881 -1.740 1.00 0.27 H new ATOM 351 N ALA A2069 -2.383 6.319 -3.932 1.00 0.20 N ATOM 352 CA ALA A2069 -2.773 6.308 -5.334 1.00 0.22 C ATOM 353 C ALA A2069 -3.413 4.980 -5.709 1.00 0.23 C ATOM 354 O ALA A2069 -4.309 4.928 -6.553 1.00 0.29 O ATOM 355 CB ALA A2069 -1.568 6.589 -6.216 1.00 0.25 C ATOM 0 H ALA A2069 -1.375 6.304 -3.775 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.512 7.094 -5.491 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.873 6.578 -7.263 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.156 7.567 -5.968 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.810 5.824 -6.051 1.00 0.25 H new ATOM 361 N ALA A2070 -2.952 3.915 -5.071 1.00 0.21 N ATOM 362 CA ALA A2070 -3.482 2.583 -5.298 1.00 0.24 C ATOM 363 C ALA A2070 -4.951 2.518 -4.913 1.00 0.26 C ATOM 364 O ALA A2070 -5.800 2.193 -5.739 1.00 0.34 O ATOM 365 CB ALA A2070 -2.686 1.556 -4.519 1.00 0.25 C ATOM 0 H ALA A2070 -2.201 3.952 -4.382 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.395 2.356 -6.361 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.097 0.563 -4.701 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.645 1.582 -4.841 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.743 1.783 -3.454 1.00 0.25 H new ATOM 371 N THR A2071 -5.250 2.875 -3.668 1.00 0.24 N ATOM 372 CA THR A2071 -6.617 2.817 -3.162 1.00 0.28 C ATOM 373 C THR A2071 -7.500 3.801 -3.913 1.00 0.31 C ATOM 374 O THR A2071 -8.692 3.573 -4.113 1.00 0.37 O ATOM 375 CB THR A2071 -6.662 3.102 -1.643 1.00 0.30 C ATOM 376 OG1 THR A2071 -7.915 2.674 -1.097 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.463 4.576 -1.329 1.00 0.29 C ATOM 0 H THR A2071 -4.564 3.208 -2.991 1.00 0.24 H new ATOM 0 HA THR A2071 -6.996 1.808 -3.326 1.00 0.28 H new ATOM 0 HB THR A2071 -5.842 2.544 -1.190 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.801 2.455 -0.149 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.503 4.727 -0.250 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.493 4.900 -1.705 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.251 5.159 -1.806 1.00 0.29 H new ATOM 385 N ALA A2072 -6.884 4.877 -4.357 1.00 0.31 N ATOM 386 CA ALA A2072 -7.572 5.895 -5.118 1.00 0.40 C ATOM 387 C ALA A2072 -7.868 5.417 -6.534 1.00 0.42 C ATOM 388 O ALA A2072 -8.744 5.951 -7.205 1.00 0.54 O ATOM 389 CB ALA A2072 -6.747 7.165 -5.101 1.00 0.47 C ATOM 0 H ALA A2072 -5.895 5.069 -4.200 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.539 6.105 -4.660 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.259 7.939 -5.673 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.617 7.501 -4.072 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.771 6.971 -5.546 1.00 0.47 H new ATOM 395 N THR A2073 -7.145 4.400 -6.969 1.00 0.36 N ATOM 396 CA THR A2073 -7.383 3.788 -8.267 1.00 0.40 C ATOM 397 C THR A2073 -8.446 2.688 -8.176 1.00 0.29 C ATOM 398 O THR A2073 -9.293 2.556 -9.064 1.00 0.34 O ATOM 399 CB THR A2073 -6.079 3.207 -8.852 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.113 4.255 -9.020 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.329 2.524 -10.188 1.00 0.58 C ATOM 0 H THR A2073 -6.383 3.977 -6.439 1.00 0.36 H new ATOM 0 HA THR A2073 -7.749 4.570 -8.932 1.00 0.40 H new ATOM 0 HB THR A2073 -5.698 2.462 -8.154 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.964 4.703 -8.161 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.391 2.125 -10.574 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.041 1.710 -10.053 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.734 3.247 -10.896 1.00 0.58 H new ATOM 409 N VAL A2074 -8.409 1.909 -7.100 1.00 0.20 N ATOM 410 CA VAL A2074 -9.373 0.824 -6.916 1.00 0.22 C ATOM 411 C VAL A2074 -10.749 1.412 -6.633 1.00 0.27 C ATOM 412 O VAL A2074 -11.772 0.917 -7.104 1.00 0.41 O ATOM 413 CB VAL A2074 -8.959 -0.161 -5.783 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.461 -0.259 -5.698 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.511 0.218 -4.423 1.00 0.72 C ATOM 0 H VAL A2074 -7.729 2.005 -6.346 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.398 0.244 -7.838 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.391 -1.125 -6.050 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.186 -0.951 -4.902 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.066 -0.622 -6.647 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.044 0.725 -5.484 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.184 -0.511 -3.681 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.147 1.207 -4.145 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.600 0.231 -4.463 1.00 0.72 H new ATOM 425 N LEU A2075 -10.752 2.474 -5.846 1.00 0.27 N ATOM 426 CA LEU A2075 -11.964 3.229 -5.572 1.00 0.37 C ATOM 427 C LEU A2075 -12.124 4.367 -6.577 1.00 0.42 C ATOM 428 O LEU A2075 -11.250 4.596 -7.409 1.00 1.24 O ATOM 429 CB LEU A2075 -11.928 3.765 -4.143 1.00 0.44 C ATOM 430 CG LEU A2075 -11.770 2.690 -3.066 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.852 3.295 -1.679 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.819 1.607 -3.246 1.00 1.04 C ATOM 0 H LEU A2075 -9.920 2.836 -5.381 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.825 2.568 -5.674 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.104 4.474 -4.055 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -12.847 4.319 -3.953 1.00 0.44 H new ATOM 0 HG LEU A2075 -10.784 2.238 -3.174 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.737 2.510 -0.932 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.058 4.032 -1.556 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -12.820 3.779 -1.550 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.695 0.848 -2.473 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.813 2.047 -3.167 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.703 1.147 -4.227 1.00 1.04 H new ATOM 487 N THR A2079 -7.346 10.803 -6.275 1.00 1.12 N ATOM 488 CA THR A2079 -6.509 11.921 -5.910 1.00 0.78 C ATOM 489 C THR A2079 -5.785 11.569 -4.616 1.00 0.67 C ATOM 490 O THR A2079 -6.333 11.732 -3.526 1.00 0.86 O ATOM 491 CB THR A2079 -7.314 13.215 -5.708 1.00 1.25 C ATOM 492 OG1 THR A2079 -8.193 13.434 -6.822 1.00 1.52 O ATOM 493 CG2 THR A2079 -6.375 14.398 -5.559 1.00 1.42 C ATOM 0 HA THR A2079 -5.807 12.104 -6.723 1.00 0.78 H new ATOM 0 HB THR A2079 -7.909 13.114 -4.800 1.00 1.25 H new ATOM 0 HG1 THR A2079 -8.396 12.577 -7.252 1.00 1.52 H new ATOM 0 HG21 THR A2079 -6.957 15.309 -5.417 1.00 1.42 H new ATOM 0 HG22 THR A2079 -5.728 14.242 -4.696 1.00 1.42 H new ATOM 0 HG23 THR A2079 -5.765 14.494 -6.457 1.00 1.42 H new ATOM 501 N PRO A2080 -4.549 11.060 -4.725 1.00 0.48 N ATOM 502 CA PRO A2080 -3.789 10.537 -3.579 1.00 0.48 C ATOM 503 C PRO A2080 -3.514 11.610 -2.531 1.00 0.69 C ATOM 504 O PRO A2080 -3.206 11.315 -1.376 1.00 0.70 O ATOM 505 CB PRO A2080 -2.483 10.042 -4.207 1.00 0.56 C ATOM 506 CG PRO A2080 -2.795 9.888 -5.656 1.00 0.56 C ATOM 507 CD PRO A2080 -3.780 10.967 -5.972 1.00 0.50 C ATOM 0 HA PRO A2080 -4.336 9.758 -3.048 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -1.673 10.754 -4.050 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.166 9.096 -3.767 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -1.896 9.988 -6.263 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -3.212 8.903 -5.865 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -3.288 11.908 -6.218 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -4.411 10.706 -6.821 1.00 0.50 H new ATOM 515 N GLU A2081 -3.641 12.853 -2.955 1.00 0.93 N ATOM 516 CA GLU A2081 -3.505 13.998 -2.100 1.00 1.22 C ATOM 517 C GLU A2081 -4.561 13.988 -0.993 1.00 1.21 C ATOM 518 O GLU A2081 -4.283 14.347 0.151 1.00 1.32 O ATOM 519 CB GLU A2081 -3.646 15.235 -2.976 1.00 1.52 C ATOM 520 CG GLU A2081 -3.718 16.511 -2.203 1.00 2.12 C ATOM 521 CD GLU A2081 -3.772 17.731 -3.094 1.00 2.46 C ATOM 522 OE1 GLU A2081 -2.705 18.314 -3.377 1.00 2.53 O ATOM 523 OE2 GLU A2081 -4.882 18.115 -3.513 1.00 2.96 O ATOM 0 H GLU A2081 -3.846 13.091 -3.925 1.00 0.93 H new ATOM 0 HA GLU A2081 -2.534 13.989 -1.605 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -2.800 15.283 -3.662 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -4.545 15.138 -3.585 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -4.600 16.494 -1.563 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -2.850 16.583 -1.547 1.00 2.12 H new ATOM 530 N SER A2082 -5.759 13.537 -1.334 1.00 1.13 N ATOM 531 CA SER A2082 -6.878 13.579 -0.407 1.00 1.23 C ATOM 532 C SER A2082 -7.032 12.245 0.331 1.00 0.99 C ATOM 533 O SER A2082 -8.057 11.984 0.961 1.00 1.06 O ATOM 534 CB SER A2082 -8.163 13.944 -1.164 1.00 1.44 C ATOM 535 OG SER A2082 -9.251 14.165 -0.278 1.00 1.70 O ATOM 0 H SER A2082 -5.980 13.138 -2.246 1.00 1.13 H new ATOM 0 HA SER A2082 -6.684 14.345 0.344 1.00 1.23 H new ATOM 0 HB2 SER A2082 -7.992 14.840 -1.760 1.00 1.44 H new ATOM 0 HB3 SER A2082 -8.416 13.143 -1.858 1.00 1.44 H new ATOM 0 HG SER A2082 -9.215 13.514 0.454 1.00 1.70 H new ATOM 541 N ILE A2083 -6.015 11.398 0.247 1.00 0.76 N ATOM 542 CA ILE A2083 -6.001 10.151 1.000 1.00 0.55 C ATOM 543 C ILE A2083 -5.420 10.395 2.387 1.00 0.43 C ATOM 544 O ILE A2083 -4.211 10.589 2.530 1.00 0.46 O ATOM 545 CB ILE A2083 -5.150 9.076 0.297 1.00 0.45 C ATOM 546 CG1 ILE A2083 -5.543 8.952 -1.174 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.282 7.735 1.015 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.761 8.111 -1.410 1.00 0.47 C ATOM 0 H ILE A2083 -5.191 11.551 -0.334 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.029 9.797 1.070 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.105 9.381 0.339 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -5.718 9.949 -1.578 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -4.707 8.526 -1.728 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -4.674 6.988 0.505 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -4.941 7.839 2.045 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.325 7.420 1.009 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -6.975 8.072 -2.478 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -6.584 7.102 -1.038 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -7.611 8.547 -0.886 1.00 0.47 H new ATOM 560 N SER A2084 -6.272 10.409 3.398 1.00 0.38 N ATOM 561 CA SER A2084 -5.811 10.622 4.762 1.00 0.32 C ATOM 562 C SER A2084 -5.173 9.351 5.317 1.00 0.29 C ATOM 563 O SER A2084 -5.782 8.283 5.315 1.00 0.31 O ATOM 564 CB SER A2084 -6.959 11.071 5.662 1.00 0.36 C ATOM 565 OG SER A2084 -7.613 12.212 5.127 1.00 0.42 O ATOM 0 H SER A2084 -7.279 10.277 3.303 1.00 0.38 H new ATOM 0 HA SER A2084 -5.060 11.412 4.743 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.675 10.257 5.776 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.577 11.300 6.657 1.00 0.36 H new ATOM 0 HG SER A2084 -8.345 12.478 5.722 1.00 0.42 H new ATOM 571 N PRO A2085 -3.930 9.469 5.806 1.00 0.29 N ATOM 572 CA PRO A2085 -3.123 8.328 6.269 1.00 0.28 C ATOM 573 C PRO A2085 -3.674 7.652 7.518 1.00 0.28 C ATOM 574 O PRO A2085 -3.493 6.449 7.711 1.00 0.33 O ATOM 575 CB PRO A2085 -1.773 8.965 6.585 1.00 0.32 C ATOM 576 CG PRO A2085 -2.110 10.379 6.903 1.00 0.36 C ATOM 577 CD PRO A2085 -3.201 10.742 5.947 1.00 0.36 C ATOM 0 HA PRO A2085 -3.097 7.539 5.518 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.286 8.472 7.426 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -1.091 8.898 5.737 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.440 10.483 7.937 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.244 11.029 6.778 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.838 11.535 6.339 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.806 11.093 4.993 1.00 0.36 H new ATOM 585 N ALA A2086 -4.329 8.427 8.366 1.00 0.30 N ATOM 586 CA ALA A2086 -4.836 7.912 9.631 1.00 0.36 C ATOM 587 C ALA A2086 -6.209 7.264 9.476 1.00 0.30 C ATOM 588 O ALA A2086 -6.713 6.630 10.404 1.00 0.28 O ATOM 589 CB ALA A2086 -4.893 9.026 10.660 1.00 0.47 C ATOM 0 H ALA A2086 -4.523 9.415 8.203 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.148 7.138 9.972 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.273 8.632 11.602 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.893 9.431 10.813 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.554 9.816 10.304 1.00 0.47 H new ATOM 595 N THR A2087 -6.814 7.419 8.309 1.00 0.32 N ATOM 596 CA THR A2087 -8.142 6.880 8.079 1.00 0.28 C ATOM 597 C THR A2087 -8.074 5.416 7.659 1.00 0.24 C ATOM 598 O THR A2087 -7.090 4.961 7.074 1.00 0.28 O ATOM 599 CB THR A2087 -8.890 7.683 7.005 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.675 9.083 7.221 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.383 7.393 7.046 1.00 0.34 C ATOM 0 H THR A2087 -6.409 7.910 7.512 1.00 0.32 H new ATOM 0 HA THR A2087 -8.686 6.956 9.020 1.00 0.28 H new ATOM 0 HB THR A2087 -8.507 7.389 6.028 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.454 9.586 6.904 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.888 7.975 6.275 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.552 6.331 6.868 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.780 7.665 8.024 1.00 0.34 H new ATOM 609 N ALA A2088 -9.132 4.695 7.959 1.00 0.23 N ATOM 610 CA ALA A2088 -9.220 3.277 7.668 1.00 0.25 C ATOM 611 C ALA A2088 -9.796 3.073 6.282 1.00 0.22 C ATOM 612 O ALA A2088 -10.735 3.762 5.892 1.00 0.25 O ATOM 613 CB ALA A2088 -10.101 2.596 8.698 1.00 0.32 C ATOM 0 H ALA A2088 -9.961 5.076 8.414 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.222 2.840 7.707 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.164 1.531 8.475 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.673 2.734 9.691 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -11.099 3.033 8.669 1.00 0.32 H new ATOM 619 N PHE A2089 -9.233 2.113 5.549 1.00 0.21 N ATOM 620 CA PHE A2089 -9.687 1.807 4.193 1.00 0.20 C ATOM 621 C PHE A2089 -11.184 1.535 4.151 1.00 0.24 C ATOM 622 O PHE A2089 -11.826 1.758 3.128 1.00 0.26 O ATOM 623 CB PHE A2089 -8.909 0.628 3.612 1.00 0.21 C ATOM 624 CG PHE A2089 -7.558 1.018 3.091 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.432 2.013 2.135 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.420 0.397 3.559 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.190 2.382 1.661 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.175 0.759 3.087 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.060 1.754 2.137 1.00 0.34 C ATOM 0 H PHE A2089 -8.459 1.532 5.873 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.493 2.686 3.578 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.789 -0.136 4.381 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.488 0.180 2.805 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.316 2.505 1.757 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.504 -0.381 4.303 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.104 3.161 0.918 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.291 0.264 3.461 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.086 2.040 1.768 1.00 0.34 H new ATOM 639 N LYS A2090 -11.724 1.057 5.267 1.00 0.30 N ATOM 640 CA LYS A2090 -13.157 0.937 5.448 1.00 0.40 C ATOM 641 C LYS A2090 -13.852 2.238 5.071 1.00 0.37 C ATOM 642 O LYS A2090 -14.691 2.282 4.171 1.00 0.47 O ATOM 643 CB LYS A2090 -13.446 0.655 6.897 1.00 0.55 C ATOM 644 CG LYS A2090 -14.812 0.075 7.104 1.00 1.19 C ATOM 645 CD LYS A2090 -15.174 0.128 8.556 1.00 1.79 C ATOM 646 CE LYS A2090 -15.834 1.449 8.921 1.00 2.14 C ATOM 647 NZ LYS A2090 -16.126 1.543 10.375 1.00 2.91 N ATOM 0 H LYS A2090 -11.176 0.743 6.068 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.523 0.130 4.813 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.698 -0.036 7.286 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.356 1.578 7.469 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -15.545 0.629 6.517 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.836 -0.956 6.752 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.849 -0.694 8.793 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -14.278 -0.011 9.160 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -15.183 2.273 8.628 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -16.760 1.559 8.357 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -16.575 2.458 10.580 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -16.768 0.773 10.651 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -15.239 1.464 10.913 1.00 2.91 H new ATOM 661 N ASP A2091 -13.471 3.291 5.782 1.00 0.33 N ATOM 662 CA ASP A2091 -14.042 4.617 5.593 1.00 0.35 C ATOM 663 C ASP A2091 -13.806 5.144 4.178 1.00 0.33 C ATOM 664 O ASP A2091 -14.682 5.795 3.605 1.00 0.39 O ATOM 665 CB ASP A2091 -13.447 5.589 6.613 1.00 0.38 C ATOM 666 CG ASP A2091 -14.045 6.980 6.501 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.481 7.827 5.778 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.091 7.237 7.136 1.00 1.04 O ATOM 0 H ASP A2091 -12.755 3.249 6.508 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.119 4.537 5.742 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.614 5.204 7.619 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.368 5.647 6.469 1.00 0.38 H new ATOM 673 N LEU A2092 -12.632 4.866 3.610 1.00 0.30 N ATOM 674 CA LEU A2092 -12.316 5.346 2.269 1.00 0.32 C ATOM 675 C LEU A2092 -13.204 4.679 1.217 1.00 0.30 C ATOM 676 O LEU A2092 -13.396 5.223 0.129 1.00 0.36 O ATOM 677 CB LEU A2092 -10.839 5.107 1.916 1.00 0.34 C ATOM 678 CG LEU A2092 -9.806 6.048 2.565 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.372 7.443 2.779 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.280 5.477 3.867 1.00 0.61 C ATOM 0 H LEU A2092 -11.894 4.318 4.053 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.507 6.419 2.267 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.586 4.083 2.192 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.733 5.181 0.834 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.970 6.132 1.870 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.614 8.077 3.239 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.667 7.867 1.819 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.242 7.386 3.433 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.553 6.165 4.299 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -10.107 5.338 4.564 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.801 4.517 3.676 1.00 0.61 H new ATOM 692 N GLY A2093 -13.753 3.512 1.538 1.00 0.26 N ATOM 693 CA GLY A2093 -14.679 2.867 0.627 1.00 0.26 C ATOM 694 C GLY A2093 -14.271 1.455 0.265 1.00 0.22 C ATOM 695 O GLY A2093 -14.952 0.786 -0.511 1.00 0.27 O ATOM 0 H GLY A2093 -13.575 3.005 2.405 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.670 2.847 1.080 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.756 3.461 -0.284 1.00 0.26 H new ATOM 699 N ILE A2094 -13.160 1.003 0.822 1.00 0.22 N ATOM 700 CA ILE A2094 -12.631 -0.321 0.541 1.00 0.19 C ATOM 701 C ILE A2094 -13.530 -1.426 1.087 1.00 0.18 C ATOM 702 O ILE A2094 -13.809 -1.488 2.286 1.00 0.22 O ATOM 703 CB ILE A2094 -11.217 -0.456 1.139 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.253 0.480 0.410 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.713 -1.894 1.084 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.040 0.113 -1.039 1.00 0.28 C ATOM 0 H ILE A2094 -12.600 1.543 1.481 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.590 -0.435 -0.542 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.268 -0.172 2.190 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.636 1.499 0.466 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.292 0.472 0.924 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.713 -1.946 1.515 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.386 -2.537 1.650 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.679 -2.228 0.047 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.345 0.819 -1.495 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.628 -0.894 -1.102 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.993 0.149 -1.567 1.00 0.28 H new ATOM 718 N ASP A2095 -13.983 -2.291 0.190 1.00 0.19 N ATOM 719 CA ASP A2095 -14.763 -3.462 0.574 1.00 0.26 C ATOM 720 C ASP A2095 -13.890 -4.695 0.468 1.00 0.21 C ATOM 721 O ASP A2095 -12.674 -4.586 0.357 1.00 0.23 O ATOM 722 CB ASP A2095 -15.992 -3.651 -0.320 1.00 0.40 C ATOM 723 CG ASP A2095 -16.978 -2.505 -0.238 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.674 -2.385 0.792 1.00 0.94 O ATOM 725 OD2 ASP A2095 -17.071 -1.724 -1.208 1.00 1.07 O ATOM 0 H ASP A2095 -13.823 -2.204 -0.814 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.107 -3.312 1.597 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.666 -3.766 -1.354 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.497 -4.576 -0.040 1.00 0.40 H new ATOM 730 N SER A2096 -14.502 -5.865 0.461 1.00 0.30 N ATOM 731 CA SER A2096 -13.749 -7.095 0.288 1.00 0.35 C ATOM 732 C SER A2096 -13.324 -7.254 -1.168 1.00 0.30 C ATOM 733 O SER A2096 -12.413 -8.015 -1.491 1.00 0.38 O ATOM 734 CB SER A2096 -14.601 -8.283 0.723 1.00 0.51 C ATOM 735 OG SER A2096 -15.878 -7.782 1.173 1.00 0.85 O ATOM 0 H SER A2096 -15.508 -5.990 0.572 1.00 0.30 H new ATOM 0 HA SER A2096 -12.852 -7.054 0.906 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.736 -8.978 -0.106 1.00 0.51 H new ATOM 0 HB3 SER A2096 -14.105 -8.834 1.523 1.00 0.51 H new ATOM 0 HG SER A2096 -16.442 -8.532 1.456 1.00 0.85 H new ATOM 740 N LEU A2097 -13.982 -6.500 -2.031 1.00 0.29 N ATOM 741 CA LEU A2097 -13.754 -6.582 -3.466 1.00 0.35 C ATOM 742 C LEU A2097 -12.547 -5.754 -3.853 1.00 0.26 C ATOM 743 O LEU A2097 -11.666 -6.202 -4.573 1.00 0.35 O ATOM 744 CB LEU A2097 -14.982 -6.073 -4.207 1.00 0.50 C ATOM 745 CG LEU A2097 -16.288 -6.537 -3.609 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.471 -5.850 -4.263 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.391 -8.029 -3.741 1.00 1.65 C ATOM 0 H LEU A2097 -14.688 -5.815 -1.760 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.570 -7.622 -3.736 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.964 -4.983 -4.216 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.931 -6.402 -5.245 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.307 -6.268 -2.553 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.396 -6.207 -3.809 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.390 -4.772 -4.122 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.479 -6.076 -5.329 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.333 -8.368 -3.310 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.354 -8.304 -4.795 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.561 -8.499 -3.214 1.00 1.65 H new ATOM 759 N THR A2098 -12.513 -4.539 -3.352 1.00 0.19 N ATOM 760 CA THR A2098 -11.433 -3.627 -3.662 1.00 0.16 C ATOM 761 C THR A2098 -10.234 -3.832 -2.742 1.00 0.15 C ATOM 762 O THR A2098 -9.135 -3.355 -3.029 1.00 0.19 O ATOM 763 CB THR A2098 -11.920 -2.178 -3.602 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.867 -2.026 -2.534 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.557 -1.789 -4.928 1.00 0.27 C ATOM 0 H THR A2098 -13.223 -4.158 -2.726 1.00 0.19 H new ATOM 0 HA THR A2098 -11.103 -3.843 -4.678 1.00 0.16 H new ATOM 0 HB THR A2098 -11.069 -1.523 -3.415 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.404 -1.220 -2.685 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.901 -0.756 -4.877 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.823 -1.888 -5.727 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.404 -2.444 -5.131 1.00 0.27 H new ATOM 773 N ALA A2099 -10.445 -4.563 -1.651 1.00 0.15 N ATOM 774 CA ALA A2099 -9.354 -4.929 -0.756 1.00 0.19 C ATOM 775 C ALA A2099 -8.315 -5.757 -1.499 1.00 0.22 C ATOM 776 O ALA A2099 -7.112 -5.607 -1.288 1.00 0.29 O ATOM 777 CB ALA A2099 -9.877 -5.700 0.447 1.00 0.21 C ATOM 0 H ALA A2099 -11.360 -4.913 -1.367 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.885 -4.012 -0.399 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -9.045 -5.962 1.101 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.588 -5.081 0.995 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.373 -6.610 0.109 1.00 0.21 H new ATOM 783 N LEU A2100 -8.778 -6.628 -2.382 1.00 0.22 N ATOM 784 CA LEU A2100 -7.868 -7.440 -3.165 1.00 0.27 C ATOM 785 C LEU A2100 -7.265 -6.620 -4.303 1.00 0.26 C ATOM 786 O LEU A2100 -6.062 -6.678 -4.531 1.00 0.29 O ATOM 787 CB LEU A2100 -8.556 -8.721 -3.669 1.00 0.31 C ATOM 788 CG LEU A2100 -9.907 -8.546 -4.368 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.729 -8.345 -5.863 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.806 -9.740 -4.092 1.00 0.40 C ATOM 0 H LEU A2100 -9.767 -6.788 -2.571 1.00 0.22 H new ATOM 0 HA LEU A2100 -7.048 -7.760 -2.522 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.878 -9.222 -4.360 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.697 -9.389 -2.819 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.382 -7.652 -3.965 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.705 -8.224 -6.333 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -9.127 -7.454 -6.041 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -9.227 -9.213 -6.290 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.762 -9.600 -4.596 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.330 -10.647 -4.463 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.972 -9.830 -3.018 1.00 0.40 H new ATOM 802 N GLU A2101 -8.092 -5.823 -4.976 1.00 0.24 N ATOM 803 CA GLU A2101 -7.642 -4.984 -6.085 1.00 0.26 C ATOM 804 C GLU A2101 -6.517 -4.044 -5.668 1.00 0.24 C ATOM 805 O GLU A2101 -5.541 -3.864 -6.401 1.00 0.27 O ATOM 806 CB GLU A2101 -8.816 -4.172 -6.608 1.00 0.29 C ATOM 807 CG GLU A2101 -9.951 -5.030 -7.118 1.00 0.35 C ATOM 808 CD GLU A2101 -9.652 -5.628 -8.476 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.146 -5.092 -9.489 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.931 -6.647 -8.536 1.00 0.56 O ATOM 0 H GLU A2101 -9.088 -5.740 -4.770 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.254 -5.638 -6.866 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.186 -3.526 -5.812 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.471 -3.522 -7.412 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.147 -5.831 -6.405 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.859 -4.429 -7.179 1.00 0.35 H new ATOM 817 N LEU A2102 -6.665 -3.433 -4.501 1.00 0.21 N ATOM 818 CA LEU A2102 -5.646 -2.546 -3.974 1.00 0.22 C ATOM 819 C LEU A2102 -4.303 -3.257 -3.872 1.00 0.24 C ATOM 820 O LEU A2102 -3.310 -2.804 -4.442 1.00 0.27 O ATOM 821 CB LEU A2102 -6.074 -2.047 -2.603 1.00 0.24 C ATOM 822 CG LEU A2102 -5.671 -0.618 -2.270 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.190 -0.260 -0.907 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.167 -0.435 -2.323 1.00 0.57 C ATOM 0 H LEU A2102 -7.484 -3.538 -3.902 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.531 -1.702 -4.655 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.159 -2.127 -2.529 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.654 -2.710 -1.847 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.107 0.045 -3.017 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -5.903 0.763 -0.666 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.277 -0.344 -0.898 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.768 -0.940 -0.167 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.917 0.598 -2.080 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.694 -1.102 -1.603 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.807 -0.669 -3.325 1.00 0.57 H new ATOM 836 N ARG A2103 -4.275 -4.374 -3.160 1.00 0.26 N ATOM 837 CA ARG A2103 -3.031 -5.100 -2.965 1.00 0.34 C ATOM 838 C ARG A2103 -2.560 -5.715 -4.284 1.00 0.35 C ATOM 839 O ARG A2103 -1.368 -5.925 -4.473 1.00 0.43 O ATOM 840 CB ARG A2103 -3.175 -6.169 -1.883 1.00 0.48 C ATOM 841 CG ARG A2103 -3.956 -7.380 -2.329 1.00 0.94 C ATOM 842 CD ARG A2103 -4.012 -8.446 -1.252 1.00 0.77 C ATOM 843 NE ARG A2103 -4.594 -9.682 -1.774 1.00 0.94 N ATOM 844 CZ ARG A2103 -5.851 -10.074 -1.559 1.00 1.48 C ATOM 845 NH1 ARG A2103 -6.672 -9.333 -0.826 1.00 2.43 N ATOM 846 NH2 ARG A2103 -6.291 -11.210 -2.084 1.00 1.60 N ATOM 0 H ARG A2103 -5.090 -4.793 -2.713 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.275 -4.391 -2.626 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -2.182 -6.485 -1.562 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -3.666 -5.731 -1.014 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -4.969 -7.080 -2.596 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -3.500 -7.795 -3.227 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -3.008 -8.642 -0.876 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -4.604 -8.088 -0.410 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.998 -10.285 -2.341 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -6.344 -8.456 -0.422 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -7.631 -9.640 -0.667 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.668 -11.784 -2.652 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -7.252 -11.509 -1.919 1.00 1.60 H new ATOM 860 N ASN A2104 -3.499 -5.993 -5.193 1.00 0.33 N ATOM 861 CA ASN A2104 -3.156 -6.432 -6.544 1.00 0.38 C ATOM 862 C ASN A2104 -2.290 -5.380 -7.213 1.00 0.39 C ATOM 863 O ASN A2104 -1.245 -5.684 -7.795 1.00 0.48 O ATOM 864 CB ASN A2104 -4.415 -6.657 -7.391 1.00 0.39 C ATOM 865 CG ASN A2104 -5.175 -7.918 -7.032 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.602 -8.890 -6.538 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.475 -7.917 -7.299 1.00 0.44 N ATOM 0 H ASN A2104 -4.501 -5.921 -5.016 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.616 -7.376 -6.468 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -5.078 -5.799 -7.276 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -4.131 -6.702 -8.442 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -7.038 -8.743 -7.095 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.911 -7.091 -7.708 1.00 0.44 H new ATOM 874 N THR A2105 -2.730 -4.135 -7.102 1.00 0.33 N ATOM 875 CA THR A2105 -1.999 -3.010 -7.647 1.00 0.39 C ATOM 876 C THR A2105 -0.645 -2.889 -6.953 1.00 0.42 C ATOM 877 O THR A2105 0.395 -2.873 -7.607 1.00 0.51 O ATOM 878 CB THR A2105 -2.800 -1.703 -7.471 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.151 -1.898 -7.919 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.170 -0.562 -8.257 1.00 0.51 C ATOM 0 H THR A2105 -3.600 -3.881 -6.633 1.00 0.33 H new ATOM 0 HA THR A2105 -1.845 -3.179 -8.713 1.00 0.39 H new ATOM 0 HB THR A2105 -2.792 -1.441 -6.413 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.631 -2.460 -7.275 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.756 0.346 -8.114 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.152 -0.396 -7.905 1.00 0.51 H new ATOM 0 HG23 THR A2105 -2.150 -0.817 -9.316 1.00 0.51 H new ATOM 888 N LEU A2106 -0.672 -2.863 -5.620 1.00 0.42 N ATOM 889 CA LEU A2106 0.543 -2.739 -4.812 1.00 0.55 C ATOM 890 C LEU A2106 1.542 -3.851 -5.133 1.00 0.54 C ATOM 891 O LEU A2106 2.754 -3.619 -5.150 1.00 0.56 O ATOM 892 CB LEU A2106 0.190 -2.763 -3.322 1.00 0.74 C ATOM 893 CG LEU A2106 -0.735 -1.635 -2.857 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.078 -1.793 -1.383 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.093 -0.280 -3.114 1.00 0.81 C ATOM 0 H LEU A2106 -1.530 -2.927 -5.072 1.00 0.42 H new ATOM 0 HA LEU A2106 1.012 -1.785 -5.055 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.282 -3.718 -3.091 1.00 0.74 H new ATOM 0 HB3 LEU A2106 1.113 -2.716 -2.745 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.660 -1.693 -3.430 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -1.736 -0.981 -1.074 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.581 -2.747 -1.227 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.163 -1.764 -0.791 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -0.764 0.510 -2.778 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.848 -0.214 -2.568 1.00 0.81 H new ATOM 0 HD23 LEU A2106 0.098 -0.164 -4.181 1.00 0.81 H new ATOM 907 N THR A2107 1.029 -5.053 -5.394 1.00 0.56 N ATOM 908 CA THR A2107 1.865 -6.176 -5.791 1.00 0.62 C ATOM 909 C THR A2107 2.671 -5.823 -7.042 1.00 0.60 C ATOM 910 O THR A2107 3.889 -5.994 -7.089 1.00 0.64 O ATOM 911 CB THR A2107 1.018 -7.435 -6.088 1.00 0.69 C ATOM 912 OG1 THR A2107 0.314 -7.853 -4.916 1.00 0.73 O ATOM 913 CG2 THR A2107 1.888 -8.577 -6.586 1.00 0.81 C ATOM 0 H THR A2107 0.034 -5.270 -5.336 1.00 0.56 H new ATOM 0 HA THR A2107 2.537 -6.388 -4.959 1.00 0.62 H new ATOM 0 HB THR A2107 0.303 -7.173 -6.868 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.412 -7.222 -4.728 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.265 -9.449 -6.786 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.395 -8.275 -7.502 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.629 -8.828 -5.827 1.00 0.81 H new ATOM 921 N HIS A2108 1.977 -5.293 -8.042 1.00 0.58 N ATOM 922 CA HIS A2108 2.583 -5.007 -9.336 1.00 0.62 C ATOM 923 C HIS A2108 3.394 -3.716 -9.299 1.00 0.60 C ATOM 924 O HIS A2108 4.338 -3.551 -10.069 1.00 0.68 O ATOM 925 CB HIS A2108 1.507 -4.919 -10.418 1.00 0.68 C ATOM 926 CG HIS A2108 0.797 -6.216 -10.658 1.00 1.20 C ATOM 927 ND1 HIS A2108 -0.575 -6.348 -10.617 1.00 1.74 N ATOM 928 CD2 HIS A2108 1.282 -7.447 -10.941 1.00 2.24 C ATOM 929 CE1 HIS A2108 -0.901 -7.601 -10.862 1.00 2.48 C ATOM 930 NE2 HIS A2108 0.207 -8.289 -11.064 1.00 2.81 N ATOM 0 H HIS A2108 0.988 -5.051 -7.980 1.00 0.58 H new ATOM 0 HA HIS A2108 3.263 -5.825 -9.572 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.777 -4.161 -10.133 1.00 0.68 H new ATOM 0 HB3 HIS A2108 1.965 -4.586 -11.349 1.00 0.68 H new ATOM 0 HD2 HIS A2108 2.322 -7.716 -11.050 1.00 2.24 H new ATOM 0 HE1 HIS A2108 -1.905 -7.998 -10.892 1.00 2.48 H new ATOM 0 HE2 HIS A2108 0.256 -9.285 -11.277 1.00 2.81 H new ATOM 939 N ASN A2109 3.024 -2.807 -8.405 1.00 0.57 N ATOM 940 CA ASN A2109 3.721 -1.540 -8.270 1.00 0.64 C ATOM 941 C ASN A2109 5.117 -1.751 -7.705 1.00 0.66 C ATOM 942 O ASN A2109 6.051 -1.021 -8.032 1.00 0.85 O ATOM 943 CB ASN A2109 2.937 -0.598 -7.356 1.00 0.82 C ATOM 944 CG ASN A2109 1.612 -0.140 -7.943 1.00 1.61 C ATOM 945 OD1 ASN A2109 0.665 0.125 -7.208 1.00 1.85 O ATOM 946 ND2 ASN A2109 1.531 -0.035 -9.262 1.00 2.60 N ATOM 0 H ASN A2109 2.242 -2.927 -7.762 1.00 0.57 H new ATOM 0 HA ASN A2109 3.805 -1.093 -9.261 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.750 -1.100 -6.407 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.550 0.277 -7.139 1.00 0.82 H new ATOM 0 HD21 ASN A2109 0.662 0.274 -9.697 1.00 2.60 H new ATOM 0 HD22 ASN A2109 2.338 -0.264 -9.842 1.00 2.60 H new ATOM 953 N THR A2110 5.250 -2.756 -6.854 1.00 0.65 N ATOM 954 CA THR A2110 6.523 -3.048 -6.219 1.00 0.78 C ATOM 955 C THR A2110 7.287 -4.129 -6.979 1.00 0.81 C ATOM 956 O THR A2110 8.503 -4.040 -7.160 1.00 1.02 O ATOM 957 CB THR A2110 6.310 -3.490 -4.761 1.00 0.83 C ATOM 958 OG1 THR A2110 5.337 -4.542 -4.707 1.00 0.72 O ATOM 959 CG2 THR A2110 5.848 -2.321 -3.903 1.00 1.03 C ATOM 0 H THR A2110 4.491 -3.383 -6.588 1.00 0.65 H new ATOM 0 HA THR A2110 7.115 -2.133 -6.234 1.00 0.78 H new ATOM 0 HB THR A2110 7.261 -3.853 -4.371 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.438 -4.160 -4.787 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.704 -2.658 -2.876 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.602 -1.534 -3.924 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.907 -1.933 -4.293 1.00 1.03 H new ATOM 967 N GLY A2111 6.564 -5.145 -7.430 1.00 0.72 N ATOM 968 CA GLY A2111 7.178 -6.212 -8.192 1.00 0.86 C ATOM 969 C GLY A2111 7.382 -7.464 -7.365 1.00 0.88 C ATOM 970 O GLY A2111 7.808 -8.498 -7.882 1.00 1.05 O ATOM 0 H GLY A2111 5.560 -5.249 -7.281 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.553 -6.446 -9.054 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.139 -5.873 -8.578 1.00 0.86 H new ATOM 974 N LEU A2112 7.077 -7.375 -6.076 1.00 0.84 N ATOM 975 CA LEU A2112 7.235 -8.508 -5.177 1.00 0.92 C ATOM 976 C LEU A2112 5.904 -9.194 -4.931 1.00 0.80 C ATOM 977 O LEU A2112 4.896 -8.866 -5.556 1.00 0.97 O ATOM 978 CB LEU A2112 7.885 -8.064 -3.856 1.00 1.21 C ATOM 979 CG LEU A2112 7.261 -6.854 -3.143 1.00 1.05 C ATOM 980 CD1 LEU A2112 5.961 -7.219 -2.438 1.00 1.45 C ATOM 981 CD2 LEU A2112 8.251 -6.287 -2.145 1.00 1.34 C ATOM 0 H LEU A2112 6.719 -6.530 -5.631 1.00 0.84 H new ATOM 0 HA LEU A2112 7.897 -9.232 -5.651 1.00 0.92 H new ATOM 0 HB2 LEU A2112 7.866 -8.909 -3.168 1.00 1.21 H new ATOM 0 HB3 LEU A2112 8.933 -7.837 -4.053 1.00 1.21 H new ATOM 0 HG LEU A2112 7.025 -6.104 -3.898 1.00 1.05 H new ATOM 0 HD11 LEU A2112 5.553 -6.336 -1.947 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.243 -7.592 -3.169 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.155 -7.991 -1.693 1.00 1.45 H new ATOM 0 HD21 LEU A2112 7.807 -5.429 -1.640 1.00 1.34 H new ATOM 0 HD22 LEU A2112 8.504 -7.050 -1.409 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.155 -5.973 -2.667 1.00 1.34 H new ATOM 993 N ASP A2113 5.913 -10.150 -4.021 1.00 0.77 N ATOM 994 CA ASP A2113 4.733 -10.948 -3.735 1.00 0.77 C ATOM 995 C ASP A2113 4.209 -10.641 -2.342 1.00 0.92 C ATOM 996 O ASP A2113 4.990 -10.465 -1.401 1.00 1.14 O ATOM 997 CB ASP A2113 5.067 -12.434 -3.857 1.00 0.83 C ATOM 998 CG ASP A2113 3.877 -13.326 -3.559 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.839 -13.928 -2.469 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.970 -13.422 -4.417 1.00 1.18 O ATOM 0 H ASP A2113 6.731 -10.395 -3.463 1.00 0.77 H new ATOM 0 HA ASP A2113 3.957 -10.698 -4.459 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.427 -12.640 -4.865 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.879 -12.677 -3.172 1.00 0.83 H new ATOM 1005 N LEU A2114 2.894 -10.573 -2.210 1.00 1.05 N ATOM 1006 CA LEU A2114 2.272 -10.265 -0.934 1.00 1.34 C ATOM 1007 C LEU A2114 0.987 -11.087 -0.740 1.00 1.00 C ATOM 1008 O LEU A2114 0.484 -11.685 -1.691 1.00 1.04 O ATOM 1009 CB LEU A2114 2.036 -8.752 -0.831 1.00 1.98 C ATOM 1010 CG LEU A2114 1.306 -8.098 -1.990 1.00 2.33 C ATOM 1011 CD1 LEU A2114 -0.187 -8.329 -1.880 1.00 2.71 C ATOM 1012 CD2 LEU A2114 1.626 -6.618 -2.018 1.00 2.95 C ATOM 0 H LEU A2114 2.236 -10.728 -2.974 1.00 1.05 H new ATOM 0 HA LEU A2114 2.939 -10.549 -0.120 1.00 1.34 H new ATOM 0 HB2 LEU A2114 1.472 -8.556 0.081 1.00 1.98 H new ATOM 0 HB3 LEU A2114 3.004 -8.263 -0.718 1.00 1.98 H new ATOM 0 HG LEU A2114 1.641 -8.548 -2.924 1.00 2.33 H new ATOM 0 HD11 LEU A2114 -0.692 -7.852 -2.720 1.00 2.71 H new ATOM 0 HD12 LEU A2114 -0.392 -9.400 -1.894 1.00 2.71 H new ATOM 0 HD13 LEU A2114 -0.553 -7.902 -0.947 1.00 2.71 H new ATOM 0 HD21 LEU A2114 1.102 -6.148 -2.850 1.00 2.95 H new ATOM 0 HD22 LEU A2114 1.307 -6.159 -1.082 1.00 2.95 H new ATOM 0 HD23 LEU A2114 2.700 -6.480 -2.142 1.00 2.95 H new ATOM 1024 N PRO A2115 0.439 -11.125 0.492 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.620 -12.046 0.879 1.00 0.64 C ATOM 1026 C PRO A2115 -2.021 -11.478 0.681 1.00 0.57 C ATOM 1027 O PRO A2115 -2.212 -10.263 0.613 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.354 -12.249 2.374 1.00 0.76 C ATOM 1029 CG PRO A2115 0.465 -11.074 2.821 1.00 0.98 C ATOM 1030 CD PRO A2115 0.758 -10.235 1.604 1.00 1.10 C ATOM 0 HA PRO A2115 -0.601 -12.954 0.276 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.289 -12.305 2.931 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.179 -13.184 2.550 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.076 -10.491 3.567 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.391 -11.408 3.288 1.00 0.98 H new ATOM 0 HD2 PRO A2115 0.148 -9.332 1.583 1.00 1.10 H new ATOM 0 HD3 PRO A2115 1.800 -9.917 1.577 1.00 1.10 H new ATOM 1038 N PRO A2116 -3.026 -12.369 0.625 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.437 -11.984 0.501 1.00 0.62 C ATOM 1040 C PRO A2116 -4.955 -11.222 1.719 1.00 0.58 C ATOM 1041 O PRO A2116 -6.048 -10.666 1.696 1.00 0.68 O ATOM 1042 CB PRO A2116 -5.170 -13.324 0.368 1.00 0.73 C ATOM 1043 CG PRO A2116 -4.244 -14.328 0.955 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.862 -13.834 0.652 1.00 0.63 C ATOM 0 HA PRO A2116 -4.590 -11.309 -0.341 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -6.122 -13.308 0.898 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.390 -13.552 -0.675 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.399 -14.422 2.030 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -4.411 -15.314 0.522 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -2.147 -14.145 1.414 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -2.498 -14.216 -0.302 1.00 0.63 H new ATOM 1052 N THR A2117 -4.161 -11.192 2.773 1.00 0.54 N ATOM 1053 CA THR A2117 -4.555 -10.534 4.006 1.00 0.59 C ATOM 1054 C THR A2117 -3.893 -9.172 4.131 1.00 0.50 C ATOM 1055 O THR A2117 -4.041 -8.493 5.139 1.00 0.54 O ATOM 1056 CB THR A2117 -4.218 -11.399 5.228 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.926 -11.999 5.053 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.274 -12.475 5.424 1.00 0.86 C ATOM 0 H THR A2117 -3.235 -11.618 2.800 1.00 0.54 H new ATOM 0 HA THR A2117 -5.635 -10.394 3.972 1.00 0.59 H new ATOM 0 HB THR A2117 -4.202 -10.767 6.116 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.712 -12.549 5.835 1.00 0.74 H new ATOM 0 HG21 THR A2117 -5.020 -13.080 6.295 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.246 -12.007 5.578 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.314 -13.111 4.540 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.142 -8.809 3.097 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.497 -7.501 2.989 1.00 0.45 C ATOM 1068 C LEU A2118 -3.376 -6.371 3.543 1.00 0.41 C ATOM 1069 O LEU A2118 -3.046 -5.755 4.559 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.189 -7.248 1.511 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.085 -6.241 1.196 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.537 -4.813 1.426 1.00 0.70 C ATOM 1073 CD2 LEU A2118 0.159 -6.553 1.994 1.00 0.65 C ATOM 0 H LEU A2118 -2.961 -9.420 2.300 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.584 -7.509 3.585 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.920 -8.200 1.053 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.105 -6.909 1.027 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.849 -6.332 0.136 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.721 -4.130 1.190 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.391 -4.594 0.785 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.825 -4.686 2.469 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.935 -5.825 1.757 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.070 -6.505 3.059 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.511 -7.554 1.743 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.497 -6.123 2.879 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.392 -5.030 3.251 1.00 0.40 C ATOM 1087 C ILE A2119 -6.231 -5.411 4.468 1.00 0.42 C ATOM 1088 O ILE A2119 -6.710 -4.554 5.202 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.318 -4.662 2.065 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.483 -4.282 0.842 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.270 -3.529 2.428 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.620 -3.058 1.047 1.00 0.33 C ATOM 0 H ILE A2119 -4.811 -6.666 2.075 1.00 0.38 H new ATOM 0 HA ILE A2119 -4.782 -4.163 3.505 1.00 0.40 H new ATOM 0 HB ILE A2119 -6.921 -5.539 1.828 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -4.845 -5.124 0.574 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.151 -4.107 -0.002 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -7.904 -3.298 1.572 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -7.893 -3.833 3.269 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.695 -2.645 2.703 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.058 -2.852 0.136 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.252 -2.203 1.284 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -3.926 -3.235 1.869 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.372 -6.706 4.689 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.192 -7.219 5.770 1.00 0.53 C ATOM 1106 C PHE A2120 -6.510 -7.014 7.120 1.00 0.52 C ATOM 1107 O PHE A2120 -7.158 -6.668 8.108 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.468 -8.706 5.542 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.390 -8.990 4.385 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.614 -9.601 4.597 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -8.039 -8.641 3.089 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.470 -9.857 3.543 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.889 -8.895 2.032 1.00 3.49 C ATOM 1114 CZ PHE A2120 -10.107 -9.504 2.258 1.00 3.43 C ATOM 0 H PHE A2120 -5.923 -7.428 4.126 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.134 -6.671 5.781 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.521 -9.218 5.372 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -7.901 -9.128 6.449 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.904 -9.881 5.599 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.088 -8.164 2.905 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -11.422 -10.333 3.724 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.601 -8.618 1.029 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.774 -9.704 1.432 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.203 -7.223 7.154 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.451 -7.158 8.399 1.00 0.49 C ATOM 1126 C ASP A2121 -3.989 -5.742 8.696 1.00 0.45 C ATOM 1127 O ASP A2121 -4.004 -5.303 9.846 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.227 -8.070 8.340 1.00 0.50 C ATOM 1129 CG ASP A2121 -2.610 -8.277 9.708 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.268 -8.883 10.578 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -1.466 -7.836 9.925 1.00 2.00 O ATOM 0 H ASP A2121 -4.639 -7.440 6.332 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.121 -7.488 9.193 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -3.513 -9.035 7.921 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.485 -7.638 7.669 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.582 -5.023 7.657 1.00 0.38 N ATOM 1137 CA HIS A2122 -2.993 -3.700 7.844 1.00 0.37 C ATOM 1138 C HIS A2122 -3.744 -2.640 7.048 1.00 0.34 C ATOM 1139 O HIS A2122 -3.134 -1.978 6.207 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.525 -3.666 7.372 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.753 -4.947 7.527 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.685 -6.049 6.731 1.00 0.63 N flip ATOM 1143 CD2 HIS A2122 0.111 -5.183 8.575 1.00 0.51 C flip ATOM 1144 CE1 HIS A2122 0.212 -6.911 7.312 1.00 0.71 C flip ATOM 1145 NE2 HIS A2122 0.677 -6.366 8.420 1.00 0.63 N flip ATOM 0 H HIS A2122 -3.647 -5.328 6.686 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.055 -3.490 8.912 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.509 -3.380 6.320 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.005 -2.883 7.923 1.00 0.35 H new ATOM 0 HD1 HIS A2122 -1.203 -6.205 5.866 1.00 0.63 H new ATOM 0 HD2 HIS A2122 0.296 -4.506 9.395 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.492 -7.879 6.924 1.00 0.71 H new ATOM 1154 N PRO A2123 -5.054 -2.422 7.251 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.725 -1.418 6.456 1.00 0.34 C ATOM 1156 C PRO A2123 -5.483 -0.018 7.003 1.00 0.32 C ATOM 1157 O PRO A2123 -6.068 0.391 8.008 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.197 -1.804 6.595 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.300 -2.487 7.922 1.00 0.43 C ATOM 1160 CD PRO A2123 -5.946 -3.082 8.217 1.00 0.41 C ATOM 0 HA PRO A2123 -5.374 -1.390 5.424 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -7.840 -0.925 6.554 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.509 -2.465 5.787 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.588 -1.779 8.699 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.065 -3.263 7.898 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.638 -2.886 9.244 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -5.947 -4.164 8.086 1.00 0.41 H new ATOM 1168 N THR A2124 -4.620 0.705 6.308 1.00 0.27 N ATOM 1169 CA THR A2124 -4.374 2.123 6.525 1.00 0.23 C ATOM 1170 C THR A2124 -3.360 2.591 5.486 1.00 0.22 C ATOM 1171 O THR A2124 -2.447 1.832 5.151 1.00 0.26 O ATOM 1172 CB THR A2124 -3.841 2.453 7.940 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.626 1.254 8.696 1.00 0.50 O ATOM 1174 CG2 THR A2124 -4.808 3.349 8.691 1.00 0.29 C ATOM 0 H THR A2124 -4.055 0.311 5.556 1.00 0.27 H new ATOM 0 HA THR A2124 -5.329 2.639 6.429 1.00 0.23 H new ATOM 0 HB THR A2124 -2.893 2.976 7.817 1.00 0.31 H new ATOM 0 HG1 THR A2124 -4.490 0.865 8.945 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.409 3.565 9.682 1.00 0.29 H new ATOM 0 HG22 THR A2124 -4.941 4.281 8.142 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.770 2.845 8.789 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.480 3.809 4.952 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.536 4.305 3.948 1.00 0.18 C ATOM 1184 C PRO A2125 -1.104 4.355 4.489 1.00 0.17 C ATOM 1185 O PRO A2125 -0.169 3.871 3.848 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.051 5.711 3.627 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.473 5.711 4.076 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.525 4.791 5.263 1.00 0.24 C ATOM 0 HA PRO A2125 -2.488 3.658 3.072 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.472 6.473 4.149 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.973 5.926 2.561 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.799 6.716 4.345 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.134 5.364 3.282 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.321 5.319 6.194 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.503 4.322 5.370 1.00 0.24 H new ATOM 1196 N HIS A2126 -0.951 4.903 5.692 1.00 0.23 N ATOM 1197 CA HIS A2126 0.365 5.053 6.312 1.00 0.31 C ATOM 1198 C HIS A2126 0.901 3.725 6.851 1.00 0.29 C ATOM 1199 O HIS A2126 2.110 3.513 6.900 1.00 0.32 O ATOM 1200 CB HIS A2126 0.296 6.083 7.445 1.00 0.45 C ATOM 1201 CG HIS A2126 1.569 6.212 8.231 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.721 6.766 7.720 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.869 5.824 9.491 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.676 6.707 8.629 1.00 0.77 C ATOM 1205 NE2 HIS A2126 3.185 6.143 9.715 1.00 0.80 N ATOM 0 H HIS A2126 -1.724 5.252 6.259 1.00 0.23 H new ATOM 0 HA HIS A2126 1.053 5.398 5.540 1.00 0.31 H new ATOM 0 HB2 HIS A2126 0.041 7.055 7.023 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.512 5.808 8.123 1.00 0.45 H new ATOM 0 HD2 HIS A2126 1.197 5.351 10.192 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.689 7.061 8.504 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.699 5.972 10.579 1.00 0.80 H new ATOM 1214 N ALA A2127 0.015 2.840 7.271 1.00 0.28 N ATOM 1215 CA ALA A2127 0.440 1.580 7.868 1.00 0.29 C ATOM 1216 C ALA A2127 0.986 0.629 6.817 1.00 0.26 C ATOM 1217 O ALA A2127 1.966 -0.077 7.055 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.703 0.936 8.624 1.00 0.34 C ATOM 0 H ALA A2127 -0.996 2.965 7.212 1.00 0.28 H new ATOM 0 HA ALA A2127 1.243 1.799 8.572 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.366 -0.003 9.062 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.039 1.606 9.416 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.528 0.741 7.939 1.00 0.34 H new ATOM 1224 N LEU A2128 0.361 0.614 5.648 1.00 0.22 N ATOM 1225 CA LEU A2128 0.875 -0.174 4.537 1.00 0.21 C ATOM 1226 C LEU A2128 2.235 0.355 4.111 1.00 0.21 C ATOM 1227 O LEU A2128 3.074 -0.396 3.617 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.094 -0.161 3.360 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.374 -0.962 3.572 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.273 -0.844 2.356 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.049 -2.422 3.851 1.00 0.64 C ATOM 0 H LEU A2128 -0.494 1.133 5.445 1.00 0.22 H new ATOM 0 HA LEU A2128 0.983 -1.206 4.869 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.362 0.872 3.140 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.420 -0.551 2.481 1.00 0.21 H new ATOM 0 HG LEU A2128 -1.899 -0.555 4.436 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.184 -1.420 2.519 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.530 0.203 2.194 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.752 -1.230 1.480 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -1.974 -2.979 4.000 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.505 -2.842 3.005 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.435 -2.493 4.749 1.00 0.64 H new ATOM 1243 N THR A2129 2.446 1.650 4.326 1.00 0.21 N ATOM 1244 CA THR A2129 3.739 2.271 4.088 1.00 0.24 C ATOM 1245 C THR A2129 4.816 1.580 4.905 1.00 0.25 C ATOM 1246 O THR A2129 5.935 1.391 4.446 1.00 0.33 O ATOM 1247 CB THR A2129 3.711 3.766 4.462 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.638 4.416 3.776 1.00 0.27 O ATOM 1249 CG2 THR A2129 5.031 4.452 4.130 1.00 0.32 C ATOM 0 H THR A2129 1.730 2.292 4.667 1.00 0.21 H new ATOM 0 HA THR A2129 3.962 2.172 3.026 1.00 0.24 H new ATOM 0 HB THR A2129 3.558 3.841 5.539 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.784 4.030 4.063 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.974 5.505 4.407 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.839 3.974 4.684 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.226 4.369 3.061 1.00 0.32 H new ATOM 1257 N GLN A2130 4.443 1.175 6.103 1.00 0.25 N ATOM 1258 CA GLN A2130 5.374 0.555 7.034 1.00 0.28 C ATOM 1259 C GLN A2130 5.627 -0.895 6.638 1.00 0.23 C ATOM 1260 O GLN A2130 6.772 -1.354 6.598 1.00 0.22 O ATOM 1261 CB GLN A2130 4.820 0.615 8.460 1.00 0.38 C ATOM 1262 CG GLN A2130 4.173 1.949 8.811 1.00 0.52 C ATOM 1263 CD GLN A2130 3.800 2.056 10.275 1.00 1.39 C ATOM 1264 OE1 GLN A2130 4.438 1.455 11.139 1.00 2.22 O ATOM 1265 NE2 GLN A2130 2.768 2.831 10.566 1.00 1.90 N ATOM 0 H GLN A2130 3.492 1.264 6.460 1.00 0.25 H new ATOM 0 HA GLN A2130 6.316 1.103 6.998 1.00 0.28 H new ATOM 0 HB2 GLN A2130 4.085 -0.180 8.588 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.629 0.418 9.163 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.858 2.758 8.556 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.279 2.085 8.203 1.00 0.52 H new ATOM 0 HE21 GLN A2130 2.265 3.312 9.820 1.00 1.90 H new ATOM 0 HE22 GLN A2130 2.475 2.947 11.536 1.00 1.90 H new ATOM 1274 N HIS A2131 4.549 -1.609 6.333 1.00 0.25 N ATOM 1275 CA HIS A2131 4.653 -3.002 5.922 1.00 0.27 C ATOM 1276 C HIS A2131 5.448 -3.120 4.634 1.00 0.26 C ATOM 1277 O HIS A2131 6.409 -3.884 4.550 1.00 0.30 O ATOM 1278 CB HIS A2131 3.270 -3.624 5.719 1.00 0.32 C ATOM 1279 CG HIS A2131 3.332 -5.043 5.236 1.00 0.40 C ATOM 1280 ND1 HIS A2131 4.035 -6.033 5.888 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.825 -5.621 4.123 1.00 0.42 C ATOM 1282 CE1 HIS A2131 3.963 -7.152 5.195 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.232 -6.929 4.123 1.00 0.53 N ATOM 0 H HIS A2131 3.596 -1.246 6.363 1.00 0.25 H new ATOM 0 HA HIS A2131 5.168 -3.540 6.718 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.720 -3.590 6.660 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.710 -3.025 5.001 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.213 -5.141 3.374 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.425 -8.091 5.461 1.00 0.59 H new ATOM 0 HE2 HIS A2131 3.005 -7.619 3.407 1.00 0.53 H new ATOM 1292 N LEU A2132 5.038 -2.367 3.629 1.00 0.27 N ATOM 1293 CA LEU A2132 5.718 -2.403 2.346 1.00 0.33 C ATOM 1294 C LEU A2132 7.108 -1.795 2.447 1.00 0.35 C ATOM 1295 O LEU A2132 7.979 -2.115 1.648 1.00 0.47 O ATOM 1296 CB LEU A2132 4.898 -1.720 1.244 1.00 0.36 C ATOM 1297 CG LEU A2132 3.798 -2.587 0.607 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.362 -3.925 0.143 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.642 -2.806 1.571 1.00 0.42 C ATOM 0 H LEU A2132 4.244 -1.728 3.675 1.00 0.27 H new ATOM 0 HA LEU A2132 5.825 -3.451 2.067 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.436 -0.825 1.660 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.579 -1.392 0.459 1.00 0.36 H new ATOM 0 HG LEU A2132 3.418 -2.051 -0.263 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.566 -4.520 -0.304 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.145 -3.753 -0.596 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.779 -4.460 0.996 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.881 -3.422 1.092 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.006 -3.309 2.467 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.210 -1.844 1.846 1.00 0.42 H new ATOM 1311 N HIS A2133 7.335 -0.938 3.440 1.00 0.28 N ATOM 1312 CA HIS A2133 8.679 -0.433 3.688 1.00 0.34 C ATOM 1313 C HIS A2133 9.576 -1.579 4.108 1.00 0.38 C ATOM 1314 O HIS A2133 10.735 -1.644 3.721 1.00 0.55 O ATOM 1315 CB HIS A2133 8.680 0.659 4.759 1.00 0.36 C ATOM 1316 CG HIS A2133 10.023 1.277 4.985 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.764 1.099 6.132 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.754 2.090 4.193 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.891 1.778 6.035 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.908 2.390 4.866 1.00 0.63 N ATOM 0 H HIS A2133 6.619 -0.585 4.075 1.00 0.28 H new ATOM 0 HA HIS A2133 9.055 0.011 2.767 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.975 1.439 4.471 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.322 0.236 5.697 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.479 2.440 3.209 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.667 1.825 6.784 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.658 2.989 4.520 1.00 0.63 H new ATOM 1329 N THR A2134 9.015 -2.496 4.880 1.00 0.32 N ATOM 1330 CA THR A2134 9.729 -3.686 5.288 1.00 0.43 C ATOM 1331 C THR A2134 9.992 -4.568 4.068 1.00 0.51 C ATOM 1332 O THR A2134 11.082 -5.102 3.895 1.00 0.66 O ATOM 1333 CB THR A2134 8.924 -4.471 6.343 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.519 -3.591 7.405 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.749 -5.609 6.914 1.00 0.74 C ATOM 0 H THR A2134 8.061 -2.434 5.236 1.00 0.32 H new ATOM 0 HA THR A2134 10.678 -3.389 5.734 1.00 0.43 H new ATOM 0 HB THR A2134 8.042 -4.889 5.858 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.836 -2.971 7.074 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.160 -6.148 7.656 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.034 -6.290 6.112 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.646 -5.207 7.385 1.00 0.74 H new ATOM 1343 N ARG A2135 8.986 -4.668 3.203 1.00 0.52 N ATOM 1344 CA ARG A2135 9.088 -5.462 1.982 1.00 0.71 C ATOM 1345 C ARG A2135 10.173 -4.906 1.058 1.00 0.88 C ATOM 1346 O ARG A2135 10.962 -5.652 0.482 1.00 1.12 O ATOM 1347 CB ARG A2135 7.749 -5.461 1.236 1.00 0.76 C ATOM 1348 CG ARG A2135 6.593 -6.034 2.038 1.00 0.74 C ATOM 1349 CD ARG A2135 6.839 -7.482 2.398 1.00 0.86 C ATOM 1350 NE ARG A2135 6.781 -8.370 1.235 1.00 1.75 N ATOM 1351 CZ ARG A2135 7.630 -9.379 1.021 1.00 2.11 C ATOM 1352 NH1 ARG A2135 8.621 -9.612 1.873 1.00 1.86 N ATOM 1353 NH2 ARG A2135 7.480 -10.164 -0.040 1.00 3.18 N ATOM 0 H ARG A2135 8.085 -4.206 3.327 1.00 0.52 H new ATOM 0 HA ARG A2135 9.351 -6.481 2.267 1.00 0.71 H new ATOM 0 HB2 ARG A2135 7.506 -4.438 0.948 1.00 0.76 H new ATOM 0 HB3 ARG A2135 7.858 -6.034 0.315 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.453 -5.450 2.947 1.00 0.74 H new ATOM 0 HG3 ARG A2135 5.672 -5.952 1.462 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.816 -7.574 2.872 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.098 -7.801 3.131 1.00 0.86 H new ATOM 0 HE ARG A2135 6.047 -8.208 0.546 1.00 1.75 H new ATOM 0 HH11 ARG A2135 8.737 -9.019 2.695 1.00 1.86 H new ATOM 0 HH12 ARG A2135 9.267 -10.384 1.705 1.00 1.86 H new ATOM 0 HH21 ARG A2135 6.715 -9.997 -0.694 1.00 3.18 H new ATOM 0 HH22 ARG A2135 8.130 -10.934 -0.201 1.00 3.18 H new