USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 GLN : amide:sc= -5.28! C(o=-5.3!,f=-5.5!) USER MOD Set 1.2: A 31 ASN : amide:sc= 0 X(o=-5.3,f=-5.4) USER MOD Single : A 8 SER OG : rot 31:sc= 0.00131 USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0519) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 151:sc= 0 (180deg=-0.281) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0855 K(o=-0.086,f=-1.3) USER MOD Single : A 28 GLN : amide:sc= -0.0922 K(o=-0.092,f=-1.2) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -54:sc= 1.15 USER MOD Single : A 40 LYS NZ :NH3+ -119:sc=0.000398 (180deg=-0.0481) USER MOD Single : A 41 THR OG1 : rot 102:sc= 1.27 USER MOD Single : A 44 GLN : amide:sc=-0.00693 K(o=-0.0069,f=-0.96) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 81:sc= 0.00423 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0922 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 6.506 16.289 -1.515 1.00 0.00 N ATOM 67 CA SER A 8 5.914 15.597 -0.375 1.00 0.00 C ATOM 68 C SER A 8 4.662 14.832 -0.794 1.00 0.00 C ATOM 69 O SER A 8 4.254 13.878 -0.133 1.00 0.00 O ATOM 70 CB SER A 8 5.570 16.595 0.732 1.00 0.00 C ATOM 71 OG SER A 8 6.743 17.123 1.326 1.00 0.00 O ATOM 0 HA SER A 8 6.645 14.883 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.970 17.407 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.963 16.104 1.493 1.00 0.00 H new ATOM 0 HG SER A 8 7.462 17.152 0.661 1.00 0.00 H new ATOM 77 N ILE A 9 4.058 15.258 -1.898 1.00 0.00 N ATOM 78 CA ILE A 9 2.854 14.614 -2.406 1.00 0.00 C ATOM 79 C ILE A 9 3.199 13.481 -3.366 1.00 0.00 C ATOM 80 O ILE A 9 2.626 12.394 -3.293 1.00 0.00 O ATOM 81 CB ILE A 9 1.938 15.621 -3.127 1.00 0.00 C ATOM 82 CG1 ILE A 9 1.398 16.654 -2.136 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.794 14.895 -3.820 1.00 0.00 C ATOM 84 CD1 ILE A 9 2.302 17.854 -1.963 1.00 0.00 C ATOM 0 H ILE A 9 4.383 16.046 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 9 2.326 14.208 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 9 2.523 16.143 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.419 16.993 -2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.253 16.176 -1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.156 15.620 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.197 14.195 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.208 14.349 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.857 18.545 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.275 17.527 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.427 18.357 -2.922 1.00 0.00 H new ATOM 96 N LEU A 10 4.143 13.742 -4.265 1.00 0.00 N ATOM 97 CA LEU A 10 4.568 12.743 -5.240 1.00 0.00 C ATOM 98 C LEU A 10 5.063 11.479 -4.544 1.00 0.00 C ATOM 99 O LEU A 10 4.805 10.366 -4.997 1.00 0.00 O ATOM 100 CB LEU A 10 5.671 13.312 -6.135 1.00 0.00 C ATOM 101 CG LEU A 10 5.202 14.113 -7.349 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.350 14.925 -7.929 1.00 0.00 C ATOM 103 CD2 LEU A 10 4.616 13.186 -8.405 1.00 0.00 C ATOM 0 H LEU A 10 4.628 14.636 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 10 3.707 12.483 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.311 13.952 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.289 12.486 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 10 4.423 14.803 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.997 15.489 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.725 15.615 -7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.151 14.253 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.287 13.773 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.375 12.472 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.766 12.648 -7.986 1.00 0.00 H new ATOM 115 N LYS A 11 5.777 11.662 -3.437 1.00 0.00 N ATOM 116 CA LYS A 11 6.306 10.537 -2.675 1.00 0.00 C ATOM 117 C LYS A 11 5.183 9.611 -2.219 1.00 0.00 C ATOM 118 O LYS A 11 5.362 8.396 -2.139 1.00 0.00 O ATOM 119 CB LYS A 11 7.089 11.042 -1.460 1.00 0.00 C ATOM 120 CG LYS A 11 8.170 10.082 -0.993 1.00 0.00 C ATOM 121 CD LYS A 11 8.734 10.493 0.358 1.00 0.00 C ATOM 122 CE LYS A 11 9.892 11.468 0.205 1.00 0.00 C ATOM 123 NZ LYS A 11 11.135 10.786 -0.250 1.00 0.00 N ATOM 0 H LYS A 11 6.002 12.578 -3.049 1.00 0.00 H new ATOM 0 HA LYS A 11 6.976 9.974 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.547 12.000 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.395 11.222 -0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.759 9.075 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.973 10.050 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.948 10.952 0.958 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.071 9.608 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.621 12.244 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.078 11.964 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.946 11.427 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.287 9.927 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.041 10.527 -1.253 1.00 0.00 H new ATOM 137 N ILE A 12 4.026 10.193 -1.924 1.00 0.00 N ATOM 138 CA ILE A 12 2.873 9.419 -1.480 1.00 0.00 C ATOM 139 C ILE A 12 2.142 8.792 -2.662 1.00 0.00 C ATOM 140 O ILE A 12 1.833 7.602 -2.652 1.00 0.00 O ATOM 141 CB ILE A 12 1.884 10.289 -0.682 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.625 11.087 0.393 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.802 9.423 -0.056 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.748 12.088 1.115 1.00 0.00 C ATOM 0 H ILE A 12 3.862 11.198 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 12 3.254 8.630 -0.832 1.00 0.00 H new ATOM 0 HB ILE A 12 1.408 10.992 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.048 10.395 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.460 11.614 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.111 10.053 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.258 8.896 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.260 8.698 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.339 12.617 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.346 12.803 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.927 11.565 1.605 1.00 0.00 H new ATOM 156 N GLU A 13 1.873 9.603 -3.681 1.00 0.00 N ATOM 157 CA GLU A 13 1.179 9.127 -4.872 1.00 0.00 C ATOM 158 C GLU A 13 1.686 7.746 -5.281 1.00 0.00 C ATOM 159 O GLU A 13 0.927 6.917 -5.785 1.00 0.00 O ATOM 160 CB GLU A 13 1.368 10.113 -6.027 1.00 0.00 C ATOM 161 CG GLU A 13 0.309 11.201 -6.075 1.00 0.00 C ATOM 162 CD GLU A 13 -1.013 10.707 -6.630 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.847 10.224 -5.835 1.00 0.00 O ATOM 164 OE2 GLU A 13 -1.213 10.802 -7.858 1.00 0.00 O ATOM 0 H GLU A 13 2.125 10.591 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 13 0.117 9.051 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.351 10.577 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.356 9.564 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.152 11.594 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.670 12.027 -6.688 1.00 0.00 H new ATOM 171 N LYS A 14 2.974 7.506 -5.060 1.00 0.00 N ATOM 172 CA LYS A 14 3.583 6.226 -5.404 1.00 0.00 C ATOM 173 C LYS A 14 3.059 5.114 -4.501 1.00 0.00 C ATOM 174 O LYS A 14 2.735 4.023 -4.969 1.00 0.00 O ATOM 175 CB LYS A 14 5.107 6.316 -5.288 1.00 0.00 C ATOM 176 CG LYS A 14 5.742 7.234 -6.318 1.00 0.00 C ATOM 177 CD LYS A 14 7.202 7.508 -5.997 1.00 0.00 C ATOM 178 CE LYS A 14 7.977 7.923 -7.237 1.00 0.00 C ATOM 179 NZ LYS A 14 8.338 6.752 -8.083 1.00 0.00 N ATOM 0 H LYS A 14 3.616 8.181 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 14 3.316 5.990 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.367 6.669 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.531 5.317 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.665 6.781 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.194 8.175 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.269 8.294 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.655 6.615 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.380 8.623 -7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.884 8.449 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.865 7.077 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.929 6.096 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.472 6.264 -8.388 1.00 0.00 H new ATOM 193 N VAL A 15 2.978 5.398 -3.205 1.00 0.00 N ATOM 194 CA VAL A 15 2.491 4.422 -2.238 1.00 0.00 C ATOM 195 C VAL A 15 1.190 3.782 -2.710 1.00 0.00 C ATOM 196 O VAL A 15 0.853 2.668 -2.308 1.00 0.00 O ATOM 197 CB VAL A 15 2.261 5.068 -0.857 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.710 4.045 0.125 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.551 5.680 -0.335 1.00 0.00 C ATOM 0 H VAL A 15 3.243 6.296 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 15 3.259 3.654 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 15 1.525 5.865 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.554 4.518 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.761 3.658 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.420 3.225 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.371 6.132 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.310 4.903 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.898 6.444 -1.030 1.00 0.00 H new ATOM 209 N LEU A 16 0.464 4.493 -3.565 1.00 0.00 N ATOM 210 CA LEU A 16 -0.801 3.994 -4.094 1.00 0.00 C ATOM 211 C LEU A 16 -0.668 3.629 -5.569 1.00 0.00 C ATOM 212 O LEU A 16 -1.411 2.792 -6.083 1.00 0.00 O ATOM 213 CB LEU A 16 -1.900 5.042 -3.915 1.00 0.00 C ATOM 214 CG LEU A 16 -2.060 5.611 -2.505 1.00 0.00 C ATOM 215 CD1 LEU A 16 -3.054 6.762 -2.503 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.501 4.523 -1.537 1.00 0.00 C ATOM 0 H LEU A 16 0.729 5.417 -3.907 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.069 3.096 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.702 5.868 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.849 4.599 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.093 5.992 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.155 7.154 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.697 7.552 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.023 6.406 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.610 4.947 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.456 4.112 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.753 3.730 -1.515 1.00 0.00 H new ATOM 228 N LYS A 17 0.286 4.260 -6.246 1.00 0.00 N ATOM 229 CA LYS A 17 0.521 3.999 -7.661 1.00 0.00 C ATOM 230 C LYS A 17 0.816 2.522 -7.901 1.00 0.00 C ATOM 231 O LYS A 17 0.290 1.918 -8.836 1.00 0.00 O ATOM 232 CB LYS A 17 1.684 4.852 -8.172 1.00 0.00 C ATOM 233 CG LYS A 17 1.596 5.176 -9.654 1.00 0.00 C ATOM 234 CD LYS A 17 2.262 4.103 -10.499 1.00 0.00 C ATOM 235 CE LYS A 17 3.774 4.269 -10.520 1.00 0.00 C ATOM 236 NZ LYS A 17 4.386 3.630 -11.717 1.00 0.00 N ATOM 0 H LYS A 17 0.909 4.956 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.384 4.264 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.716 5.783 -7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.620 4.328 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.550 5.273 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.070 6.138 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.008 3.119 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.876 4.148 -11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.023 5.330 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.200 3.831 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.417 3.765 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.170 2.613 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.999 4.065 -12.579 1.00 0.00 H new ATOM 250 N ARG A 18 1.660 1.946 -7.051 1.00 0.00 N ATOM 251 CA ARG A 18 2.025 0.540 -7.171 1.00 0.00 C ATOM 252 C ARG A 18 0.954 -0.354 -6.553 1.00 0.00 C ATOM 253 O ARG A 18 0.564 -1.365 -7.136 1.00 0.00 O ATOM 254 CB ARG A 18 3.373 0.282 -6.495 1.00 0.00 C ATOM 255 CG ARG A 18 3.946 -1.095 -6.787 1.00 0.00 C ATOM 256 CD ARG A 18 4.190 -1.292 -8.276 1.00 0.00 C ATOM 257 NE ARG A 18 5.251 -2.263 -8.533 1.00 0.00 N ATOM 258 CZ ARG A 18 5.760 -2.493 -9.738 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.308 -1.825 -10.791 1.00 0.00 N ATOM 260 NH2 ARG A 18 6.723 -3.392 -9.892 1.00 0.00 N ATOM 0 H ARG A 18 2.104 2.432 -6.272 1.00 0.00 H new ATOM 0 HA ARG A 18 2.106 0.300 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.085 1.040 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.258 0.397 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.882 -1.224 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.259 -1.860 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.269 -1.627 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.455 -0.337 -8.729 1.00 0.00 H new ATOM 0 HE ARG A 18 5.621 -2.793 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.568 -1.133 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.701 -2.004 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.073 -3.907 -9.085 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.113 -3.568 -10.818 1.00 0.00 H new ATOM 274 N MET A 19 0.484 0.025 -5.369 1.00 0.00 N ATOM 275 CA MET A 19 -0.542 -0.741 -4.673 1.00 0.00 C ATOM 276 C MET A 19 -1.620 -1.214 -5.644 1.00 0.00 C ATOM 277 O MET A 19 -1.963 -2.396 -5.677 1.00 0.00 O ATOM 278 CB MET A 19 -1.173 0.100 -3.562 1.00 0.00 C ATOM 279 CG MET A 19 -2.394 -0.546 -2.929 1.00 0.00 C ATOM 280 SD MET A 19 -3.899 -0.271 -3.883 1.00 0.00 S ATOM 281 CE MET A 19 -4.350 1.374 -3.337 1.00 0.00 C ATOM 0 H MET A 19 0.798 0.858 -4.872 1.00 0.00 H new ATOM 0 HA MET A 19 -0.067 -1.616 -4.230 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.427 0.283 -2.788 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.456 1.071 -3.969 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.222 -1.618 -2.829 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.529 -0.150 -1.923 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.892 1.886 -4.132 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.984 1.303 -2.453 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.449 1.936 -3.092 1.00 0.00 H new ATOM 291 N ARG A 20 -2.150 -0.284 -6.430 1.00 0.00 N ATOM 292 CA ARG A 20 -3.190 -0.605 -7.400 1.00 0.00 C ATOM 293 C ARG A 20 -2.718 -1.688 -8.365 1.00 0.00 C ATOM 294 O ARG A 20 -3.413 -2.678 -8.590 1.00 0.00 O ATOM 295 CB ARG A 20 -3.594 0.647 -8.180 1.00 0.00 C ATOM 296 CG ARG A 20 -4.415 1.634 -7.366 1.00 0.00 C ATOM 297 CD ARG A 20 -4.704 2.902 -8.155 1.00 0.00 C ATOM 298 NE ARG A 20 -5.559 2.646 -9.310 1.00 0.00 N ATOM 299 CZ ARG A 20 -5.945 3.588 -10.163 1.00 0.00 C ATOM 300 NH1 ARG A 20 -5.552 4.843 -9.990 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.723 3.277 -11.191 1.00 0.00 N ATOM 0 H ARG A 20 -1.877 0.699 -6.415 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.056 -0.980 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.694 1.146 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.167 0.349 -9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.354 1.168 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.879 1.887 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.184 3.632 -7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.765 3.342 -8.490 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.878 1.691 -9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.953 5.086 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.849 5.565 -10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.026 2.313 -11.328 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.018 4.002 -11.845 1.00 0.00 H new ATOM 315 N GLU A 21 -1.531 -1.492 -8.932 1.00 0.00 N ATOM 316 CA GLU A 21 -0.967 -2.452 -9.873 1.00 0.00 C ATOM 317 C GLU A 21 -0.898 -3.845 -9.255 1.00 0.00 C ATOM 318 O GLU A 21 -1.353 -4.823 -9.847 1.00 0.00 O ATOM 319 CB GLU A 21 0.428 -2.007 -10.316 1.00 0.00 C ATOM 320 CG GLU A 21 0.413 -0.970 -11.426 1.00 0.00 C ATOM 321 CD GLU A 21 1.772 -0.792 -12.075 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.661 -0.189 -11.437 1.00 0.00 O ATOM 323 OE2 GLU A 21 1.946 -1.255 -13.222 1.00 0.00 O ATOM 0 H GLU A 21 -0.942 -0.678 -8.756 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.620 -2.494 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.960 -1.599 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.988 -2.879 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.312 -1.265 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.080 -0.014 -11.021 1.00 0.00 H new ATOM 330 N ILE A 22 -0.322 -3.926 -8.059 1.00 0.00 N ATOM 331 CA ILE A 22 -0.193 -5.198 -7.359 1.00 0.00 C ATOM 332 C ILE A 22 -1.523 -5.944 -7.324 1.00 0.00 C ATOM 333 O ILE A 22 -1.636 -7.057 -7.837 1.00 0.00 O ATOM 334 CB ILE A 22 0.310 -4.998 -5.917 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.654 -4.268 -5.918 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.429 -6.339 -5.207 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.170 -3.950 -4.533 1.00 0.00 C ATOM 0 H ILE A 22 0.062 -3.126 -7.556 1.00 0.00 H new ATOM 0 HA ILE A 22 0.537 -5.790 -7.911 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.413 -4.386 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.390 -4.880 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.554 -3.340 -6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.786 -6.181 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.547 -6.824 -5.179 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.134 -6.974 -5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.126 -3.433 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.454 -3.312 -4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.303 -4.876 -3.973 1.00 0.00 H new ATOM 349 N LYS A 23 -2.527 -5.323 -6.716 1.00 0.00 N ATOM 350 CA LYS A 23 -3.851 -5.926 -6.615 1.00 0.00 C ATOM 351 C LYS A 23 -4.187 -6.716 -7.877 1.00 0.00 C ATOM 352 O LYS A 23 -4.539 -7.892 -7.807 1.00 0.00 O ATOM 353 CB LYS A 23 -4.910 -4.845 -6.383 1.00 0.00 C ATOM 354 CG LYS A 23 -6.314 -5.396 -6.211 1.00 0.00 C ATOM 355 CD LYS A 23 -7.238 -4.378 -5.564 1.00 0.00 C ATOM 356 CE LYS A 23 -8.697 -4.788 -5.692 1.00 0.00 C ATOM 357 NZ LYS A 23 -9.518 -4.276 -4.559 1.00 0.00 N ATOM 0 H LYS A 23 -2.450 -4.402 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.846 -6.611 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.643 -4.271 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.901 -4.153 -7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.714 -5.685 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.279 -6.298 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.981 -4.270 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.091 -3.404 -6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.099 -4.410 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.767 -5.875 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.506 -4.576 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.150 -4.656 -3.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.472 -3.237 -4.539 1.00 0.00 H new ATOM 371 N ASN A 24 -4.072 -6.061 -9.027 1.00 0.00 N ATOM 372 CA ASN A 24 -4.362 -6.704 -10.304 1.00 0.00 C ATOM 373 C ASN A 24 -3.491 -7.941 -10.500 1.00 0.00 C ATOM 374 O ASN A 24 -3.998 -9.054 -10.632 1.00 0.00 O ATOM 375 CB ASN A 24 -4.139 -5.722 -11.456 1.00 0.00 C ATOM 376 CG ASN A 24 -5.000 -6.042 -12.663 1.00 0.00 C ATOM 377 OD1 ASN A 24 -5.680 -7.067 -12.701 1.00 0.00 O ATOM 378 ND2 ASN A 24 -4.972 -5.162 -13.657 1.00 0.00 N ATOM 0 H ASN A 24 -3.780 -5.086 -9.102 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.407 -7.014 -10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.358 -4.710 -11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.089 -5.740 -11.747 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.529 -5.322 -14.496 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.393 -4.326 -13.582 1.00 0.00 H new ATOM 385 N GLU A 25 -2.178 -7.737 -10.519 1.00 0.00 N ATOM 386 CA GLU A 25 -1.237 -8.837 -10.699 1.00 0.00 C ATOM 387 C GLU A 25 -1.583 -10.005 -9.781 1.00 0.00 C ATOM 388 O GLU A 25 -1.233 -11.154 -10.060 1.00 0.00 O ATOM 389 CB GLU A 25 0.193 -8.364 -10.424 1.00 0.00 C ATOM 390 CG GLU A 25 1.254 -9.199 -11.122 1.00 0.00 C ATOM 391 CD GLU A 25 1.535 -8.723 -12.534 1.00 0.00 C ATOM 392 OE1 GLU A 25 1.579 -7.493 -12.747 1.00 0.00 O ATOM 393 OE2 GLU A 25 1.709 -9.579 -13.425 1.00 0.00 O ATOM 0 H GLU A 25 -1.742 -6.821 -10.412 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.308 -9.177 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.291 -7.326 -10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.374 -8.386 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.176 -9.167 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.931 -10.240 -11.151 1.00 0.00 H new ATOM 400 N LEU A 26 -2.272 -9.705 -8.686 1.00 0.00 N ATOM 401 CA LEU A 26 -2.666 -10.731 -7.726 1.00 0.00 C ATOM 402 C LEU A 26 -3.959 -11.416 -8.160 1.00 0.00 C ATOM 403 O LEU A 26 -4.092 -12.635 -8.056 1.00 0.00 O ATOM 404 CB LEU A 26 -2.844 -10.115 -6.337 1.00 0.00 C ATOM 405 CG LEU A 26 -3.681 -10.925 -5.346 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.847 -12.036 -4.727 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.252 -10.019 -4.264 1.00 0.00 C ATOM 0 H LEU A 26 -2.569 -8.761 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.875 -11.480 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.857 -9.956 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.304 -9.133 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.511 -11.379 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.459 -12.602 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.487 -12.701 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.997 -11.602 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.845 -10.613 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.436 -9.536 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.884 -9.259 -4.722 1.00 0.00 H new ATOM 419 N LEU A 27 -4.906 -10.624 -8.650 1.00 0.00 N ATOM 420 CA LEU A 27 -6.188 -11.154 -9.103 1.00 0.00 C ATOM 421 C LEU A 27 -5.996 -12.129 -10.259 1.00 0.00 C ATOM 422 O LEU A 27 -6.472 -13.263 -10.213 1.00 0.00 O ATOM 423 CB LEU A 27 -7.111 -10.012 -9.532 1.00 0.00 C ATOM 424 CG LEU A 27 -7.761 -9.213 -8.401 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.301 -7.891 -8.924 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.868 -10.022 -7.744 1.00 0.00 C ATOM 0 H LEU A 27 -4.811 -9.613 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.646 -11.690 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.539 -9.324 -10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.901 -10.426 -10.158 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.001 -8.999 -7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.760 -7.336 -8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.484 -7.306 -9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.047 -8.082 -9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.319 -9.438 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.628 -10.268 -8.485 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.452 -10.942 -7.333 1.00 0.00 H new ATOM 438 N GLN A 28 -5.292 -11.681 -11.294 1.00 0.00 N ATOM 439 CA GLN A 28 -5.035 -12.516 -12.461 1.00 0.00 C ATOM 440 C GLN A 28 -4.236 -13.757 -12.078 1.00 0.00 C ATOM 441 O GLN A 28 -4.364 -14.808 -12.706 1.00 0.00 O ATOM 442 CB GLN A 28 -4.282 -11.719 -13.529 1.00 0.00 C ATOM 443 CG GLN A 28 -2.812 -11.507 -13.204 1.00 0.00 C ATOM 444 CD GLN A 28 -2.094 -10.690 -14.261 1.00 0.00 C ATOM 445 OE1 GLN A 28 -1.909 -9.482 -14.109 1.00 0.00 O ATOM 446 NE2 GLN A 28 -1.684 -11.346 -15.340 1.00 0.00 N ATOM 0 H GLN A 28 -4.890 -10.745 -11.348 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.995 -12.836 -12.866 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.364 -12.239 -14.484 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.762 -10.748 -13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.725 -11.005 -12.241 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.322 -12.476 -13.104 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.858 -12.347 -15.425 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.195 -10.849 -16.084 1.00 0.00 H new ATOM 455 N ALA A 29 -3.411 -13.628 -11.044 1.00 0.00 N ATOM 456 CA ALA A 29 -2.593 -14.740 -10.576 1.00 0.00 C ATOM 457 C ALA A 29 -3.447 -15.970 -10.292 1.00 0.00 C ATOM 458 O ALA A 29 -4.321 -15.943 -9.426 1.00 0.00 O ATOM 459 CB ALA A 29 -1.816 -14.336 -9.331 1.00 0.00 C ATOM 0 H ALA A 29 -3.292 -12.764 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.887 -14.996 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.209 -15.176 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.168 -13.491 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.513 -14.051 -8.543 1.00 0.00 H new ATOM 465 N GLN A 30 -3.190 -17.046 -11.029 1.00 0.00 N ATOM 466 CA GLN A 30 -3.939 -18.285 -10.856 1.00 0.00 C ATOM 467 C GLN A 30 -3.536 -18.990 -9.565 1.00 0.00 C ATOM 468 O GLN A 30 -4.389 -19.382 -8.769 1.00 0.00 O ATOM 469 CB GLN A 30 -3.709 -19.215 -12.050 1.00 0.00 C ATOM 470 CG GLN A 30 -4.482 -20.521 -11.961 1.00 0.00 C ATOM 471 CD GLN A 30 -3.941 -21.447 -10.891 1.00 0.00 C ATOM 472 OE1 GLN A 30 -4.564 -21.639 -9.847 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.774 -22.029 -11.145 1.00 0.00 N ATOM 0 H GLN A 30 -2.470 -17.085 -11.750 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.998 -18.034 -10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.994 -18.695 -12.965 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.645 -19.437 -12.128 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.530 -20.305 -11.753 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.446 -21.027 -12.926 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.291 -21.842 -12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.361 -22.663 -10.461 1.00 0.00 H new ATOM 482 N ASN A 31 -2.232 -19.145 -9.363 1.00 0.00 N ATOM 483 CA ASN A 31 -1.717 -19.802 -8.168 1.00 0.00 C ATOM 484 C ASN A 31 -0.878 -18.837 -7.335 1.00 0.00 C ATOM 485 O ASN A 31 0.344 -18.960 -7.242 1.00 0.00 O ATOM 486 CB ASN A 31 -0.878 -21.023 -8.553 1.00 0.00 C ATOM 487 CG ASN A 31 -0.900 -22.099 -7.485 1.00 0.00 C ATOM 488 OD1 ASN A 31 0.017 -22.199 -6.670 1.00 0.00 O ATOM 489 ND2 ASN A 31 -1.950 -22.913 -7.485 1.00 0.00 N ATOM 0 H ASN A 31 -1.513 -18.825 -10.011 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.567 -20.128 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.252 -21.437 -9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.151 -20.712 -8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.019 -23.657 -6.791 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.688 -22.794 -8.179 1.00 0.00 H new ATOM 496 N PRO A 32 -1.547 -17.855 -6.714 1.00 0.00 N ATOM 497 CA PRO A 32 -0.884 -16.850 -5.878 1.00 0.00 C ATOM 498 C PRO A 32 -0.349 -17.441 -4.578 1.00 0.00 C ATOM 499 O PRO A 32 0.237 -16.733 -3.759 1.00 0.00 O ATOM 500 CB PRO A 32 -1.995 -15.839 -5.589 1.00 0.00 C ATOM 501 CG PRO A 32 -3.258 -16.618 -5.717 1.00 0.00 C ATOM 502 CD PRO A 32 -3.003 -17.649 -6.781 1.00 0.00 C ATOM 0 HA PRO A 32 -0.015 -16.417 -6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.892 -15.412 -4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.968 -15.009 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.522 -17.091 -4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.090 -15.970 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.549 -18.572 -6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.314 -17.297 -7.765 1.00 0.00 H new ATOM 510 N SER A 33 -0.554 -18.741 -4.395 1.00 0.00 N ATOM 511 CA SER A 33 -0.096 -19.426 -3.192 1.00 0.00 C ATOM 512 C SER A 33 1.262 -18.892 -2.747 1.00 0.00 C ATOM 513 O SER A 33 1.583 -18.897 -1.559 1.00 0.00 O ATOM 514 CB SER A 33 -0.008 -20.934 -3.440 1.00 0.00 C ATOM 515 OG SER A 33 -1.297 -21.503 -3.582 1.00 0.00 O ATOM 0 H SER A 33 -1.035 -19.342 -5.065 1.00 0.00 H new ATOM 0 HA SER A 33 -0.819 -19.237 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.578 -21.124 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.515 -21.412 -2.612 1.00 0.00 H new ATOM 0 HG SER A 33 -1.214 -22.466 -3.741 1.00 0.00 H new ATOM 521 N GLU A 34 2.054 -18.433 -3.710 1.00 0.00 N ATOM 522 CA GLU A 34 3.378 -17.896 -3.418 1.00 0.00 C ATOM 523 C GLU A 34 3.345 -16.372 -3.351 1.00 0.00 C ATOM 524 O GLU A 34 4.048 -15.758 -2.546 1.00 0.00 O ATOM 525 CB GLU A 34 4.383 -18.348 -4.480 1.00 0.00 C ATOM 526 CG GLU A 34 4.076 -17.820 -5.872 1.00 0.00 C ATOM 527 CD GLU A 34 4.685 -18.673 -6.967 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.903 -18.945 -6.900 1.00 0.00 O ATOM 529 OE2 GLU A 34 3.946 -19.070 -7.892 1.00 0.00 O ATOM 0 H GLU A 34 1.802 -18.422 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 34 3.690 -18.279 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.380 -18.019 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.402 -19.437 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.996 -17.776 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.451 -16.800 -5.960 1.00 0.00 H new ATOM 536 N LEU A 35 2.524 -15.765 -4.202 1.00 0.00 N ATOM 537 CA LEU A 35 2.398 -14.312 -4.241 1.00 0.00 C ATOM 538 C LEU A 35 2.050 -13.760 -2.861 1.00 0.00 C ATOM 539 O LEU A 35 2.584 -12.733 -2.441 1.00 0.00 O ATOM 540 CB LEU A 35 1.328 -13.901 -5.253 1.00 0.00 C ATOM 541 CG LEU A 35 1.807 -13.706 -6.692 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.645 -13.315 -7.593 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.907 -12.655 -6.751 1.00 0.00 C ATOM 0 H LEU A 35 1.936 -16.257 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 35 3.357 -13.895 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.544 -14.659 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.873 -12.971 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 35 2.216 -14.651 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.005 -13.180 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.110 -14.101 -7.575 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.206 -12.383 -7.237 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.235 -12.530 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.524 -11.706 -6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.750 -12.975 -6.138 1.00 0.00 H new ATOM 555 N TYR A 36 1.154 -14.447 -2.163 1.00 0.00 N ATOM 556 CA TYR A 36 0.734 -14.025 -0.832 1.00 0.00 C ATOM 557 C TYR A 36 1.933 -13.590 0.004 1.00 0.00 C ATOM 558 O TYR A 36 1.800 -12.793 0.934 1.00 0.00 O ATOM 559 CB TYR A 36 -0.011 -15.160 -0.125 1.00 0.00 C ATOM 560 CG TYR A 36 -1.288 -15.571 -0.822 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.238 -14.625 -1.190 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.547 -16.905 -1.110 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.406 -14.997 -1.825 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.712 -17.286 -1.747 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.639 -16.328 -2.102 1.00 0.00 C ATOM 566 OH TYR A 36 -4.803 -16.701 -2.736 1.00 0.00 O ATOM 0 H TYR A 36 0.704 -15.299 -2.497 1.00 0.00 H new ATOM 0 HA TYR A 36 0.063 -13.173 -0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.648 -16.025 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.246 -14.850 0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.059 -13.582 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.825 -17.658 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.134 -14.249 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.896 -18.327 -1.966 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.812 -17.673 -2.858 1.00 0.00 H new ATOM 576 N LEU A 37 3.105 -14.119 -0.333 1.00 0.00 N ATOM 577 CA LEU A 37 4.329 -13.785 0.386 1.00 0.00 C ATOM 578 C LEU A 37 4.997 -12.554 -0.218 1.00 0.00 C ATOM 579 O LEU A 37 5.380 -11.629 0.498 1.00 0.00 O ATOM 580 CB LEU A 37 5.297 -14.969 0.360 1.00 0.00 C ATOM 581 CG LEU A 37 5.062 -16.053 1.412 1.00 0.00 C ATOM 582 CD1 LEU A 37 3.921 -16.967 0.991 1.00 0.00 C ATOM 583 CD2 LEU A 37 6.332 -16.856 1.645 1.00 0.00 C ATOM 0 H LEU A 37 3.233 -14.780 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 37 4.065 -13.561 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.247 -15.431 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.310 -14.586 0.482 1.00 0.00 H new ATOM 0 HG LEU A 37 4.786 -15.569 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.768 -17.732 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.009 -16.381 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.167 -17.443 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.145 -17.623 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.639 -17.330 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.124 -16.192 1.993 1.00 0.00 H new ATOM 595 N SER A 38 5.132 -12.548 -1.540 1.00 0.00 N ATOM 596 CA SER A 38 5.754 -11.432 -2.241 1.00 0.00 C ATOM 597 C SER A 38 4.822 -10.225 -2.276 1.00 0.00 C ATOM 598 O SER A 38 5.171 -9.143 -1.804 1.00 0.00 O ATOM 599 CB SER A 38 6.131 -11.842 -3.666 1.00 0.00 C ATOM 600 OG SER A 38 7.039 -12.931 -3.660 1.00 0.00 O ATOM 0 H SER A 38 4.818 -13.305 -2.148 1.00 0.00 H new ATOM 0 HA SER A 38 6.659 -11.155 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.232 -12.117 -4.219 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.578 -10.994 -4.185 1.00 0.00 H new ATOM 0 HG SER A 38 7.263 -13.175 -4.582 1.00 0.00 H new ATOM 606 N SER A 39 3.635 -10.419 -2.840 1.00 0.00 N ATOM 607 CA SER A 39 2.651 -9.347 -2.942 1.00 0.00 C ATOM 608 C SER A 39 2.583 -8.548 -1.644 1.00 0.00 C ATOM 609 O SER A 39 2.578 -7.316 -1.658 1.00 0.00 O ATOM 610 CB SER A 39 1.273 -9.919 -3.274 1.00 0.00 C ATOM 611 OG SER A 39 0.832 -10.810 -2.263 1.00 0.00 O ATOM 0 H SER A 39 3.330 -11.309 -3.234 1.00 0.00 H new ATOM 0 HA SER A 39 2.961 -8.679 -3.745 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.556 -9.106 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.313 -10.441 -4.230 1.00 0.00 H new ATOM 0 HG SER A 39 1.514 -11.497 -2.112 1.00 0.00 H new ATOM 617 N LYS A 40 2.532 -9.257 -0.522 1.00 0.00 N ATOM 618 CA LYS A 40 2.466 -8.617 0.787 1.00 0.00 C ATOM 619 C LYS A 40 3.768 -7.889 1.104 1.00 0.00 C ATOM 620 O LYS A 40 3.772 -6.685 1.365 1.00 0.00 O ATOM 621 CB LYS A 40 2.174 -9.657 1.871 1.00 0.00 C ATOM 622 CG LYS A 40 1.587 -9.064 3.141 1.00 0.00 C ATOM 623 CD LYS A 40 0.731 -10.074 3.885 1.00 0.00 C ATOM 624 CE LYS A 40 1.557 -10.891 4.865 1.00 0.00 C ATOM 625 NZ LYS A 40 2.171 -12.082 4.216 1.00 0.00 N ATOM 0 H LYS A 40 2.535 -10.277 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 40 1.658 -7.886 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.482 -10.400 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.097 -10.181 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.393 -8.721 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.985 -8.190 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.063 -9.554 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.249 -10.741 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.341 -10.264 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.925 -11.214 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.820 -12.947 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.917 -12.098 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.206 -12.035 4.311 1.00 0.00 H new ATOM 639 N THR A 41 4.875 -8.625 1.076 1.00 0.00 N ATOM 640 CA THR A 41 6.183 -8.049 1.359 1.00 0.00 C ATOM 641 C THR A 41 6.355 -6.704 0.663 1.00 0.00 C ATOM 642 O THR A 41 6.786 -5.729 1.276 1.00 0.00 O ATOM 643 CB THR A 41 7.319 -8.992 0.918 1.00 0.00 C ATOM 644 OG1 THR A 41 7.227 -10.234 1.623 1.00 0.00 O ATOM 645 CG2 THR A 41 8.678 -8.357 1.172 1.00 0.00 C ATOM 0 H THR A 41 4.891 -9.622 0.860 1.00 0.00 H new ATOM 0 HA THR A 41 6.238 -7.905 2.438 1.00 0.00 H new ATOM 0 HB THR A 41 7.215 -9.175 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.826 -10.912 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.465 -9.041 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.756 -7.427 0.609 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.789 -8.148 2.236 1.00 0.00 H new ATOM 653 N GLU A 42 6.012 -6.660 -0.621 1.00 0.00 N ATOM 654 CA GLU A 42 6.129 -5.433 -1.400 1.00 0.00 C ATOM 655 C GLU A 42 5.254 -4.329 -0.811 1.00 0.00 C ATOM 656 O GLU A 42 5.692 -3.188 -0.659 1.00 0.00 O ATOM 657 CB GLU A 42 5.736 -5.688 -2.856 1.00 0.00 C ATOM 658 CG GLU A 42 6.146 -4.571 -3.802 1.00 0.00 C ATOM 659 CD GLU A 42 7.644 -4.343 -3.820 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.351 -5.104 -4.514 1.00 0.00 O ATOM 661 OE2 GLU A 42 8.111 -3.405 -3.141 1.00 0.00 O ATOM 0 H GLU A 42 5.651 -7.459 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 42 7.169 -5.107 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.192 -6.620 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.656 -5.823 -2.914 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.807 -4.810 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.645 -3.649 -3.508 1.00 0.00 H new ATOM 668 N LEU A 43 4.014 -4.678 -0.483 1.00 0.00 N ATOM 669 CA LEU A 43 3.076 -3.717 0.088 1.00 0.00 C ATOM 670 C LEU A 43 3.683 -3.018 1.299 1.00 0.00 C ATOM 671 O LEU A 43 3.713 -1.789 1.368 1.00 0.00 O ATOM 672 CB LEU A 43 1.778 -4.420 0.488 1.00 0.00 C ATOM 673 CG LEU A 43 0.716 -4.542 -0.605 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.354 -5.545 -0.201 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.094 -3.185 -0.898 1.00 0.00 C ATOM 0 H LEU A 43 3.635 -5.618 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 43 2.857 -2.965 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.025 -5.422 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.343 -3.884 1.331 1.00 0.00 H new ATOM 0 HG LEU A 43 1.198 -4.902 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.101 -5.618 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.104 -6.521 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.833 -5.215 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.660 -3.291 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.373 -2.796 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.868 -2.495 -1.233 1.00 0.00 H new ATOM 687 N GLN A 44 4.168 -3.809 2.251 1.00 0.00 N ATOM 688 CA GLN A 44 4.777 -3.264 3.460 1.00 0.00 C ATOM 689 C GLN A 44 5.819 -2.205 3.114 1.00 0.00 C ATOM 690 O GLN A 44 5.905 -1.168 3.771 1.00 0.00 O ATOM 691 CB GLN A 44 5.422 -4.382 4.280 1.00 0.00 C ATOM 692 CG GLN A 44 4.433 -5.154 5.139 1.00 0.00 C ATOM 693 CD GLN A 44 5.110 -5.939 6.246 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.333 -6.072 6.268 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.315 -6.463 7.172 1.00 0.00 N ATOM 0 H GLN A 44 4.151 -4.828 2.209 1.00 0.00 H new ATOM 0 HA GLN A 44 3.992 -2.795 4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.922 -5.075 3.604 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.191 -3.953 4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.718 -4.458 5.577 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.866 -5.838 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.306 -6.327 7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.714 -7.001 7.941 1.00 0.00 H new ATOM 704 N GLY A 45 6.609 -2.474 2.080 1.00 0.00 N ATOM 705 CA GLY A 45 7.636 -1.535 1.667 1.00 0.00 C ATOM 706 C GLY A 45 7.073 -0.162 1.354 1.00 0.00 C ATOM 707 O GLY A 45 7.583 0.850 1.836 1.00 0.00 O ATOM 0 H GLY A 45 6.557 -3.325 1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.383 -1.447 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.147 -1.924 0.787 1.00 0.00 H new ATOM 711 N LEU A 46 6.021 -0.126 0.544 1.00 0.00 N ATOM 712 CA LEU A 46 5.389 1.133 0.166 1.00 0.00 C ATOM 713 C LEU A 46 5.135 2.005 1.393 1.00 0.00 C ATOM 714 O LEU A 46 5.731 3.072 1.541 1.00 0.00 O ATOM 715 CB LEU A 46 4.073 0.867 -0.565 1.00 0.00 C ATOM 716 CG LEU A 46 4.177 0.064 -1.863 1.00 0.00 C ATOM 717 CD1 LEU A 46 2.804 -0.428 -2.297 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.815 0.903 -2.960 1.00 0.00 C ATOM 0 H LEU A 46 5.588 -0.954 0.136 1.00 0.00 H new ATOM 0 HA LEU A 46 6.067 1.665 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.404 0.338 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.605 1.825 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 46 4.812 -0.803 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.897 -0.997 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.383 -1.066 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.147 0.426 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.881 0.315 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.207 1.789 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.815 1.206 -2.651 1.00 0.00 H new ATOM 730 N ILE A 47 4.250 1.542 2.269 1.00 0.00 N ATOM 731 CA ILE A 47 3.921 2.277 3.483 1.00 0.00 C ATOM 732 C ILE A 47 5.156 2.956 4.065 1.00 0.00 C ATOM 733 O ILE A 47 5.112 4.124 4.450 1.00 0.00 O ATOM 734 CB ILE A 47 3.303 1.355 4.550 1.00 0.00 C ATOM 735 CG1 ILE A 47 1.931 0.856 4.092 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.191 2.085 5.880 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.552 -0.488 4.672 1.00 0.00 C ATOM 0 H ILE A 47 3.748 0.661 2.160 1.00 0.00 H new ATOM 0 HA ILE A 47 3.190 3.036 3.205 1.00 0.00 H new ATOM 0 HB ILE A 47 3.955 0.492 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.175 1.590 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.923 0.788 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.752 1.420 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.183 2.395 6.210 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.558 2.964 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.568 -0.779 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.287 -1.235 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.527 -0.421 5.760 1.00 0.00 H new ATOM 749 N GLY A 48 6.258 2.215 4.128 1.00 0.00 N ATOM 750 CA GLY A 48 7.490 2.762 4.664 1.00 0.00 C ATOM 751 C GLY A 48 7.753 4.177 4.187 1.00 0.00 C ATOM 752 O GLY A 48 8.115 5.048 4.979 1.00 0.00 O ATOM 0 H GLY A 48 6.319 1.245 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.445 2.752 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.324 2.123 4.374 1.00 0.00 H new ATOM 756 N GLN A 49 7.571 4.405 2.891 1.00 0.00 N ATOM 757 CA GLN A 49 7.793 5.724 2.310 1.00 0.00 C ATOM 758 C GLN A 49 6.981 6.786 3.044 1.00 0.00 C ATOM 759 O GLN A 49 7.458 7.897 3.277 1.00 0.00 O ATOM 760 CB GLN A 49 7.426 5.719 0.825 1.00 0.00 C ATOM 761 CG GLN A 49 8.492 5.099 -0.063 1.00 0.00 C ATOM 762 CD GLN A 49 8.265 5.384 -1.535 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.995 6.162 -2.148 1.00 0.00 O ATOM 764 NE2 GLN A 49 7.247 4.752 -2.110 1.00 0.00 N ATOM 0 H GLN A 49 7.271 3.695 2.224 1.00 0.00 H new ATOM 0 HA GLN A 49 8.851 5.966 2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.492 5.173 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.246 6.744 0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.470 5.480 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.509 4.021 0.096 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.668 4.115 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.045 4.904 -3.098 1.00 0.00 H new ATOM 773 N LEU A 50 5.750 6.438 3.404 1.00 0.00 N ATOM 774 CA LEU A 50 4.869 7.361 4.111 1.00 0.00 C ATOM 775 C LEU A 50 5.578 7.976 5.314 1.00 0.00 C ATOM 776 O LEU A 50 5.361 9.141 5.646 1.00 0.00 O ATOM 777 CB LEU A 50 3.601 6.638 4.567 1.00 0.00 C ATOM 778 CG LEU A 50 2.724 6.057 3.457 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.568 5.265 4.049 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.206 7.165 2.551 1.00 0.00 C ATOM 0 H LEU A 50 5.340 5.523 3.218 1.00 0.00 H new ATOM 0 HA LEU A 50 4.596 8.162 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.890 5.828 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.999 7.335 5.151 1.00 0.00 H new ATOM 0 HG LEU A 50 3.332 5.379 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.955 4.859 3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.959 4.447 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.960 5.920 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.584 6.733 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.614 7.868 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.048 7.689 2.099 1.00 0.00 H new ATOM 792 N ASP A 51 6.427 7.184 5.962 1.00 0.00 N ATOM 793 CA ASP A 51 7.171 7.652 7.126 1.00 0.00 C ATOM 794 C ASP A 51 7.829 8.999 6.845 1.00 0.00 C ATOM 795 O ASP A 51 8.057 9.791 7.759 1.00 0.00 O ATOM 796 CB ASP A 51 8.231 6.625 7.526 1.00 0.00 C ATOM 797 CG ASP A 51 8.771 6.865 8.922 1.00 0.00 C ATOM 798 OD1 ASP A 51 9.029 8.037 9.265 1.00 0.00 O ATOM 799 OD2 ASP A 51 8.935 5.880 9.671 1.00 0.00 O ATOM 0 H ASP A 51 6.617 6.216 5.701 1.00 0.00 H new ATOM 0 HA ASP A 51 6.468 7.777 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.802 5.624 7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.053 6.658 6.811 1.00 0.00 H new ATOM 804 N GLU A 52 8.134 9.250 5.576 1.00 0.00 N ATOM 805 CA GLU A 52 8.769 10.501 5.177 1.00 0.00 C ATOM 806 C GLU A 52 7.810 11.676 5.347 1.00 0.00 C ATOM 807 O GLU A 52 8.186 12.730 5.860 1.00 0.00 O ATOM 808 CB GLU A 52 9.239 10.418 3.723 1.00 0.00 C ATOM 809 CG GLU A 52 10.432 9.499 3.520 1.00 0.00 C ATOM 810 CD GLU A 52 11.728 10.106 4.021 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.293 10.965 3.312 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.176 9.723 5.122 1.00 0.00 O ATOM 0 H GLU A 52 7.952 8.605 4.807 1.00 0.00 H new ATOM 0 HA GLU A 52 9.633 10.663 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.413 10.070 3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.499 11.418 3.376 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.252 8.557 4.038 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.530 9.266 2.460 1.00 0.00 H new ATOM 819 N VAL A 53 6.568 11.487 4.911 1.00 0.00 N ATOM 820 CA VAL A 53 5.555 12.530 5.014 1.00 0.00 C ATOM 821 C VAL A 53 4.875 12.502 6.378 1.00 0.00 C ATOM 822 O VAL A 53 3.682 12.784 6.495 1.00 0.00 O ATOM 823 CB VAL A 53 4.485 12.384 3.916 1.00 0.00 C ATOM 824 CG1 VAL A 53 5.018 12.880 2.581 1.00 0.00 C ATOM 825 CG2 VAL A 53 4.024 10.938 3.811 1.00 0.00 C ATOM 0 H VAL A 53 6.240 10.621 4.483 1.00 0.00 H new ATOM 0 HA VAL A 53 6.068 13.483 4.886 1.00 0.00 H new ATOM 0 HB VAL A 53 3.625 12.997 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.248 12.769 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.294 13.931 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.895 12.296 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.268 10.853 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.874 10.302 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.599 10.621 4.764 1.00 0.00 H new ATOM 941 N ILE A 61 -1.584 16.707 4.459 1.00 0.00 N ATOM 942 CA ILE A 61 -0.645 15.651 4.818 1.00 0.00 C ATOM 943 C ILE A 61 -1.289 14.638 5.759 1.00 0.00 C ATOM 944 O ILE A 61 -1.551 13.498 5.375 1.00 0.00 O ATOM 945 CB ILE A 61 0.618 16.225 5.488 1.00 0.00 C ATOM 946 CG1 ILE A 61 1.307 17.224 4.554 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.572 15.103 5.868 1.00 0.00 C ATOM 948 CD1 ILE A 61 1.424 16.737 3.128 1.00 0.00 C ATOM 0 HA ILE A 61 -0.361 15.153 3.891 1.00 0.00 H new ATOM 0 HB ILE A 61 0.324 16.749 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.751 18.162 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.304 17.440 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.459 15.524 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.078 14.425 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.863 14.554 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.922 17.496 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.006 15.815 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.429 16.548 2.725 1.00 0.00 H new ATOM 960 N ARG A 62 -1.545 15.064 6.992 1.00 0.00 N ATOM 961 CA ARG A 62 -2.160 14.195 7.988 1.00 0.00 C ATOM 962 C ARG A 62 -3.251 13.332 7.358 1.00 0.00 C ATOM 963 O ARG A 62 -3.353 12.140 7.643 1.00 0.00 O ATOM 964 CB ARG A 62 -2.748 15.027 9.128 1.00 0.00 C ATOM 965 CG ARG A 62 -1.779 16.049 9.699 1.00 0.00 C ATOM 966 CD ARG A 62 -2.217 16.525 11.075 1.00 0.00 C ATOM 967 NE ARG A 62 -3.535 17.152 11.043 1.00 0.00 N ATOM 968 CZ ARG A 62 -4.083 17.766 12.087 1.00 0.00 C ATOM 969 NH1 ARG A 62 -3.427 17.837 13.237 1.00 0.00 N ATOM 970 NH2 ARG A 62 -5.286 18.314 11.980 1.00 0.00 N ATOM 0 H ARG A 62 -1.336 16.005 7.325 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.387 13.539 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.637 15.544 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.069 14.358 9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.783 15.611 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.708 16.902 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.234 15.679 11.763 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.487 17.236 11.462 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.064 17.117 10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.500 17.420 13.322 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.849 18.309 14.037 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.792 18.265 11.096 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.705 18.785 12.782 1.00 0.00 H new ATOM 984 N GLU A 63 -4.061 13.946 6.501 1.00 0.00 N ATOM 985 CA GLU A 63 -5.144 13.234 5.832 1.00 0.00 C ATOM 986 C GLU A 63 -4.597 12.285 4.770 1.00 0.00 C ATOM 987 O GLU A 63 -4.647 11.066 4.928 1.00 0.00 O ATOM 988 CB GLU A 63 -6.118 14.226 5.194 1.00 0.00 C ATOM 989 CG GLU A 63 -7.129 14.802 6.170 1.00 0.00 C ATOM 990 CD GLU A 63 -6.472 15.461 7.368 1.00 0.00 C ATOM 991 OE1 GLU A 63 -6.051 14.730 8.290 1.00 0.00 O ATOM 992 OE2 GLU A 63 -6.381 16.706 7.385 1.00 0.00 O ATOM 0 H GLU A 63 -3.988 14.933 6.254 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.675 12.646 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.551 15.043 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.651 13.728 4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.751 15.533 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.790 14.007 6.514 1.00 0.00 H new ATOM 999 N ALA A 64 -4.076 12.854 3.688 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.519 12.060 2.600 1.00 0.00 C ATOM 1001 C ALA A 64 -2.777 10.841 3.136 1.00 0.00 C ATOM 1002 O ALA A 64 -3.103 9.704 2.792 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.592 12.912 1.746 1.00 0.00 C ATOM 0 H ALA A 64 -4.028 13.862 3.542 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.343 11.708 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.183 12.306 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.151 13.749 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.777 13.293 2.362 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.777 11.083 3.978 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.988 10.005 4.559 1.00 0.00 C ATOM 1011 C ARG A 65 -1.891 8.917 5.132 1.00 0.00 C ATOM 1012 O ARG A 65 -1.883 7.779 4.663 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.069 10.549 5.654 1.00 0.00 C ATOM 1014 CG ARG A 65 1.150 9.679 5.915 1.00 0.00 C ATOM 1015 CD ARG A 65 2.046 10.283 6.985 1.00 0.00 C ATOM 1016 NE ARG A 65 1.668 9.846 8.326 1.00 0.00 N ATOM 1017 CZ ARG A 65 1.849 8.609 8.774 1.00 0.00 C ATOM 1018 NH1 ARG A 65 2.399 7.691 7.991 1.00 0.00 N ATOM 1019 NH2 ARG A 65 1.479 8.288 10.007 1.00 0.00 N ATOM 0 H ARG A 65 -1.495 12.018 4.273 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.379 9.568 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.262 11.549 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.638 10.648 6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.829 8.685 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.716 9.557 4.991 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.081 10.003 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.994 11.370 6.930 1.00 0.00 H new ATOM 0 HE ARG A 65 1.242 10.528 8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.684 7.934 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.537 6.742 8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.055 8.992 10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.618 7.338 10.350 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.670 9.276 6.147 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.578 8.330 6.785 1.00 0.00 C ATOM 1035 C ARG A 66 -4.386 7.565 5.741 1.00 0.00 C ATOM 1036 O ARG A 66 -4.217 6.356 5.575 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.522 9.063 7.741 1.00 0.00 C ATOM 1038 CG ARG A 66 -5.169 8.154 8.773 1.00 0.00 C ATOM 1039 CD ARG A 66 -5.942 8.952 9.810 1.00 0.00 C ATOM 1040 NE ARG A 66 -6.466 8.101 10.875 1.00 0.00 N ATOM 1041 CZ ARG A 66 -7.329 8.521 11.794 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -7.762 9.775 11.778 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -7.760 7.688 12.732 1.00 0.00 N ATOM 0 H ARG A 66 -2.691 10.215 6.545 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.981 7.616 7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.967 9.847 8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.303 9.554 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.841 7.456 8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.401 7.559 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.291 9.713 10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.766 9.475 9.325 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.152 7.131 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.432 10.419 11.059 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.424 10.095 12.485 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.429 6.723 12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.422 8.012 13.437 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.264 8.275 5.041 1.00 0.00 N ATOM 1058 CA ARG A 67 -6.098 7.662 4.015 1.00 0.00 C ATOM 1059 C ARG A 67 -5.299 6.658 3.191 1.00 0.00 C ATOM 1060 O ARG A 67 -5.834 5.650 2.732 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.688 8.735 3.099 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.945 8.289 2.369 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.340 9.280 1.285 1.00 0.00 C ATOM 1064 NE ARG A 67 -9.095 10.408 1.824 1.00 0.00 N ATOM 1065 CZ ARG A 67 -9.438 11.472 1.105 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -9.097 11.552 -0.173 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -10.125 12.459 1.667 1.00 0.00 N ATOM 0 H ARG A 67 -5.416 9.276 5.166 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.910 7.132 4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.917 9.621 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.937 9.028 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.780 7.308 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.763 8.182 3.082 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.443 9.649 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.938 8.771 0.529 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.374 10.378 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.569 10.795 -0.608 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.362 12.370 -0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.390 12.401 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.388 13.276 1.115 1.00 0.00 H new ATOM 1081 N ALA A 68 -4.013 6.942 3.008 1.00 0.00 N ATOM 1082 CA ALA A 68 -3.138 6.064 2.240 1.00 0.00 C ATOM 1083 C ALA A 68 -2.811 4.796 3.022 1.00 0.00 C ATOM 1084 O ALA A 68 -2.866 3.691 2.482 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.860 6.795 1.857 1.00 0.00 C ATOM 0 H ALA A 68 -3.554 7.773 3.381 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.663 5.774 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.217 6.127 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.107 7.668 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.339 7.115 2.760 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.468 4.964 4.295 1.00 0.00 N ATOM 1092 CA VAL A 69 -2.132 3.833 5.152 1.00 0.00 C ATOM 1093 C VAL A 69 -3.219 2.765 5.104 1.00 0.00 C ATOM 1094 O VAL A 69 -2.928 1.573 4.999 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.927 4.275 6.612 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.663 3.072 7.504 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.789 5.281 6.709 1.00 0.00 C ATOM 0 H VAL A 69 -2.415 5.872 4.756 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.199 3.416 4.773 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.841 4.759 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.521 3.405 8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.513 2.391 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.766 2.556 7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.658 5.583 7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.132 4.825 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.025 6.156 6.104 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.472 3.199 5.181 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.603 2.281 5.144 1.00 0.00 C ATOM 1109 C ILE A 70 -5.855 1.775 3.729 1.00 0.00 C ATOM 1110 O ILE A 70 -6.473 0.728 3.535 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.887 2.946 5.676 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.750 3.248 7.170 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -8.091 2.054 5.417 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.874 4.445 7.467 1.00 0.00 C ATOM 0 H ILE A 70 -4.730 4.182 5.270 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.346 1.440 5.788 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.037 3.887 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.741 3.420 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.338 2.373 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.991 2.537 5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.196 1.886 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.951 1.098 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.822 4.600 8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.872 4.268 7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.296 5.331 6.993 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.371 2.523 2.743 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.543 2.149 1.344 1.00 0.00 C ATOM 1128 C GLU A 71 -4.537 1.075 0.941 1.00 0.00 C ATOM 1129 O GLU A 71 -4.705 0.402 -0.076 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.386 3.376 0.442 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.684 4.130 0.208 1.00 0.00 C ATOM 1132 CD GLU A 71 -6.538 5.238 -0.816 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -5.658 6.105 -0.630 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -7.302 5.238 -1.803 1.00 0.00 O ATOM 0 H GLU A 71 -4.856 3.392 2.887 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.548 1.745 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.658 4.053 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.981 3.060 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.451 3.431 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.028 4.555 1.151 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.491 0.919 1.746 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.458 -0.073 1.474 1.00 0.00 C ATOM 1143 C VAL A 72 -2.524 -1.223 2.473 1.00 0.00 C ATOM 1144 O VAL A 72 -2.192 -2.361 2.146 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.052 0.554 1.522 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.016 -0.525 1.428 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.888 1.577 0.409 1.00 0.00 C ATOM 0 H VAL A 72 -3.337 1.467 2.592 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.643 -0.456 0.470 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.933 1.067 2.476 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.003 -0.064 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.091 -1.217 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.097 -1.068 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.111 2.010 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.026 1.090 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.632 2.365 0.527 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.956 -0.916 3.692 1.00 0.00 N ATOM 1158 CA GLN A 73 -3.066 -1.925 4.739 1.00 0.00 C ATOM 1159 C GLN A 73 -4.240 -2.861 4.473 1.00 0.00 C ATOM 1160 O GLN A 73 -4.222 -4.025 4.873 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.231 -1.256 6.105 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.921 -0.781 6.713 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.940 -0.803 8.229 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -2.485 0.098 8.868 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -1.344 -1.836 8.814 1.00 0.00 N ATOM 0 H GLN A 73 -3.235 0.022 3.979 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.149 -2.514 4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.905 -0.405 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.706 -1.959 6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.108 -1.412 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.712 0.233 6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.905 -2.560 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.326 -1.905 9.831 1.00 0.00 H new ATOM 1174 N THR A 74 -5.260 -2.345 3.794 1.00 0.00 N ATOM 1175 CA THR A 74 -6.443 -3.133 3.474 1.00 0.00 C ATOM 1176 C THR A 74 -6.070 -4.396 2.706 1.00 0.00 C ATOM 1177 O THR A 74 -6.661 -5.457 2.912 1.00 0.00 O ATOM 1178 CB THR A 74 -7.453 -2.321 2.645 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.772 -2.849 2.823 1.00 0.00 O ATOM 1180 CG2 THR A 74 -7.086 -2.346 1.169 1.00 0.00 C ATOM 0 H THR A 74 -5.290 -1.383 3.455 1.00 0.00 H new ATOM 0 HA THR A 74 -6.904 -3.410 4.422 1.00 0.00 H new ATOM 0 HB THR A 74 -7.427 -1.288 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.408 -2.325 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.814 -1.765 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.094 -1.915 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.086 -3.376 0.811 1.00 0.00 H new ATOM 1188 N LEU A 75 -5.087 -4.276 1.821 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.635 -5.410 1.022 1.00 0.00 C ATOM 1190 C LEU A 75 -3.782 -6.359 1.855 1.00 0.00 C ATOM 1191 O LEU A 75 -4.031 -7.564 1.892 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.839 -4.919 -0.190 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.646 -4.235 -1.293 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.720 -3.594 -2.313 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -5.578 -5.231 -1.968 1.00 0.00 C ATOM 0 H LEU A 75 -4.588 -3.406 1.638 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.515 -5.953 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.077 -4.222 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.317 -5.771 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.252 -3.450 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.313 -3.112 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.095 -2.850 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.087 -4.360 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.145 -4.726 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.992 -6.038 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.266 -5.643 -1.230 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.777 -5.808 2.527 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.889 -6.605 3.364 1.00 0.00 C ATOM 1209 C ILE A 76 -2.682 -7.526 4.286 1.00 0.00 C ATOM 1210 O ILE A 76 -2.263 -8.647 4.572 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.968 -5.713 4.217 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.076 -5.028 3.333 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.291 -6.536 5.304 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.867 -3.957 4.051 1.00 0.00 C ATOM 0 H ILE A 76 -2.557 -4.812 2.508 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.277 -7.207 2.691 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.574 -4.943 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.765 -5.780 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.424 -4.584 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.357 -5.891 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.049 -6.982 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.305 -7.325 4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.588 -3.515 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.189 -3.184 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.395 -4.399 4.896 1.00 0.00 H new ATOM 1226 N THR A 77 -3.833 -7.045 4.746 1.00 0.00 N ATOM 1227 CA THR A 77 -4.686 -7.824 5.634 1.00 0.00 C ATOM 1228 C THR A 77 -5.460 -8.885 4.862 1.00 0.00 C ATOM 1229 O THR A 77 -5.412 -10.069 5.196 1.00 0.00 O ATOM 1230 CB THR A 77 -5.683 -6.923 6.388 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.982 -6.075 7.305 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.704 -7.760 7.144 1.00 0.00 C ATOM 0 H THR A 77 -4.196 -6.119 4.518 1.00 0.00 H new ATOM 0 HA THR A 77 -4.030 -8.311 6.356 1.00 0.00 H new ATOM 0 HB THR A 77 -6.209 -6.310 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.610 -5.308 6.822 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.397 -7.102 7.668 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.257 -8.383 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.191 -8.396 7.866 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.174 -8.454 3.828 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.961 -9.368 3.008 1.00 0.00 C ATOM 1242 C TYR A 78 -6.162 -10.623 2.671 1.00 0.00 C ATOM 1243 O TYR A 78 -6.728 -11.695 2.458 1.00 0.00 O ATOM 1244 CB TYR A 78 -7.410 -8.675 1.721 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.730 -9.633 0.597 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.685 -10.629 0.756 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -7.077 -9.542 -0.627 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.980 -11.507 -0.269 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.366 -10.415 -1.658 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.318 -11.396 -1.473 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.610 -12.269 -2.497 1.00 0.00 O ATOM 0 H TYR A 78 -6.224 -7.477 3.538 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.841 -9.662 3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.291 -8.070 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.626 -7.993 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.206 -10.719 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.331 -8.775 -0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.725 -12.276 -0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.850 -10.330 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.057 -12.055 -3.277 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.841 -10.480 2.623 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.963 -11.602 2.314 1.00 0.00 C ATOM 1263 C ILE A 79 -3.812 -12.530 3.514 1.00 0.00 C ATOM 1264 O ILE A 79 -3.966 -13.746 3.395 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.568 -11.119 1.874 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.653 -10.402 0.525 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.602 -12.292 1.796 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.376 -9.691 0.137 1.00 0.00 C ATOM 0 H ILE A 79 -4.356 -9.599 2.794 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.426 -12.148 1.492 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.194 -10.413 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.904 -11.128 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.467 -9.678 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.621 -11.935 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.522 -12.763 2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.970 -13.019 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.509 -9.205 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.134 -8.941 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.563 -10.414 0.071 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.512 -11.949 4.670 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.343 -12.723 5.894 1.00 0.00 C ATOM 1282 C ASP A 80 -4.559 -13.609 6.148 1.00 0.00 C ATOM 1283 O ASP A 80 -4.424 -14.791 6.466 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.118 -11.792 7.086 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.291 -12.500 8.415 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -2.329 -13.157 8.868 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.387 -12.396 9.004 1.00 0.00 O ATOM 0 H ASP A 80 -3.381 -10.944 4.785 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.468 -13.362 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.114 -11.371 7.030 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.817 -10.958 7.029 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.746 -13.030 6.007 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.987 -13.767 6.222 1.00 0.00 C ATOM 1294 C LEU A 81 -7.122 -14.910 5.222 1.00 0.00 C ATOM 1295 O LEU A 81 -7.751 -15.929 5.509 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.188 -12.827 6.103 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.510 -11.989 7.342 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.442 -12.748 8.273 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -7.231 -11.597 8.068 1.00 0.00 C ATOM 0 H LEU A 81 -5.876 -12.053 5.745 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.961 -14.189 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.013 -12.150 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.066 -13.422 5.853 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.015 -11.078 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.660 -12.136 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.371 -12.977 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.965 -13.676 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.479 -11.001 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.698 -12.496 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.598 -11.012 7.400 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.524 -14.737 4.048 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.574 -15.755 3.006 1.00 0.00 C ATOM 1313 C LYS A 82 -5.542 -16.849 3.265 1.00 0.00 C ATOM 1314 O LYS A 82 -5.807 -18.030 3.040 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.328 -15.123 1.635 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.505 -14.312 1.121 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.503 -15.185 0.379 1.00 0.00 C ATOM 1318 CE LYS A 82 -8.058 -15.449 -1.051 1.00 0.00 C ATOM 1319 NZ LYS A 82 -8.754 -16.626 -1.640 1.00 0.00 N ATOM 0 H LYS A 82 -5.999 -13.900 3.795 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.567 -16.205 3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.451 -14.479 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.098 -15.910 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.002 -13.820 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.144 -13.526 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.621 -16.132 0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.479 -14.700 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.255 -14.568 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.981 -15.616 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.423 -16.773 -2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.546 -17.472 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.780 -16.456 -1.644 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.367 -16.448 3.740 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.298 -17.395 4.030 1.00 0.00 C ATOM 1335 C GLU A 83 -3.743 -18.417 5.072 1.00 0.00 C ATOM 1336 O GLU A 83 -3.735 -19.621 4.817 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.052 -16.656 4.524 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.201 -16.081 3.405 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.260 -17.105 2.802 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.869 -17.247 3.315 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.652 -17.764 1.817 1.00 0.00 O ATOM 0 H GLU A 83 -4.132 -15.474 3.932 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.057 -17.924 3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.359 -15.848 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.445 -17.341 5.116 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.852 -15.687 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.621 -15.242 3.789 1.00 0.00 H new