USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 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 41 LYS NZ :NH3+ -128:sc= 0.354 (180deg=-0.023) USER MOD Set 1.2: A 45 THR OG1 : rot 85:sc= 1.42 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0325) USER MOD Single : A 2 SER OG : rot 180:sc= 0.166 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= -0.357 (180deg=-0.398) USER MOD Single : A 13 TYR OH : rot -163:sc= 1.27 USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 0.995 (180deg=0.547) USER MOD Single : A 21 ASN : amide:sc= 1.29 K(o=1.3,f=-0.00037) USER MOD Single : A 22 GLN : amide:sc= 1.76 K(o=1.8,f=-3.6!) USER MOD Single : A 24 SER OG : rot 57:sc= 0.925 USER MOD Single : A 25 LYS NZ :NH3+ -127:sc= -0.0271 (180deg=-0.177) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.233) USER MOD Single : A 33 GLN : amide:sc= 1.15 K(o=1.2,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.118 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc=-0.00229 (180deg=-0.0567) USER MOD Single : A 62 SER OG : rot -81:sc= 1.5 USER MOD Single : A 67 GLN : amide:sc= -0.61 X(o=-0.61,f=-0.58) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= 0.713 (180deg=0.713) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0495) USER MOD Single : A 74 SER OG : rot 64:sc= 0.978 USER MOD Single : A 75 GLN : amide:sc= 0.996 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.408 2.977 -1.054 1.00 0.00 N ATOM 2 CA LYS A 1 3.715 2.367 -1.359 1.00 0.00 C ATOM 3 C LYS A 1 3.539 1.119 -2.227 1.00 0.00 C ATOM 4 O LYS A 1 3.984 1.090 -3.374 1.00 0.00 O ATOM 5 CB LYS A 1 4.491 2.072 -0.066 1.00 0.00 C ATOM 6 CG LYS A 1 5.933 1.623 -0.348 1.00 0.00 C ATOM 7 CD LYS A 1 6.678 1.212 0.932 1.00 0.00 C ATOM 8 CE LYS A 1 6.783 2.325 1.983 1.00 0.00 C ATOM 9 NZ LYS A 1 7.413 3.542 1.441 1.00 0.00 N ATOM 0 H1 LYS A 1 2.548 3.822 -0.464 1.00 0.00 H new ATOM 0 H2 LYS A 1 1.936 3.248 -1.940 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.816 2.292 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 1 4.309 3.077 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.505 2.965 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.974 1.296 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.920 0.784 -1.043 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.474 2.433 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.170 0.356 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.683 0.884 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.787 2.567 2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.362 1.966 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.525 4.243 2.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 8.346 3.304 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.813 3.939 0.690 1.00 0.00 H new ATOM 25 N SER A 2 2.875 0.091 -1.693 1.00 0.00 N ATOM 26 CA SER A 2 2.718 -1.199 -2.345 1.00 0.00 C ATOM 27 C SER A 2 2.250 -1.077 -3.800 1.00 0.00 C ATOM 28 O SER A 2 2.908 -1.640 -4.670 1.00 0.00 O ATOM 29 CB SER A 2 1.833 -2.118 -1.489 1.00 0.00 C ATOM 30 OG SER A 2 1.767 -1.610 -0.164 1.00 0.00 O ATOM 0 H SER A 2 2.426 0.139 -0.779 1.00 0.00 H new ATOM 0 HA SER A 2 3.700 -1.667 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.832 -2.179 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.239 -3.129 -1.483 1.00 0.00 H new ATOM 0 HG SER A 2 1.201 -2.194 0.383 1.00 0.00 H new ATOM 36 N PRO A 3 1.174 -0.331 -4.110 1.00 0.00 N ATOM 37 CA PRO A 3 0.743 -0.118 -5.485 1.00 0.00 C ATOM 38 C PRO A 3 1.882 0.368 -6.386 1.00 0.00 C ATOM 39 O PRO A 3 2.041 -0.116 -7.504 1.00 0.00 O ATOM 40 CB PRO A 3 -0.394 0.906 -5.410 1.00 0.00 C ATOM 41 CG PRO A 3 -0.960 0.691 -4.007 1.00 0.00 C ATOM 42 CD PRO A 3 0.300 0.392 -3.196 1.00 0.00 C ATOM 0 HA PRO A 3 0.412 -1.053 -5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.029 1.924 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.146 0.731 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.482 1.574 -3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.670 -0.135 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.770 1.310 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.069 -0.206 -2.314 1.00 0.00 H new ATOM 50 N GLU A 4 2.681 1.320 -5.896 1.00 0.00 N ATOM 51 CA GLU A 4 3.771 1.912 -6.654 1.00 0.00 C ATOM 52 C GLU A 4 4.883 0.885 -6.855 1.00 0.00 C ATOM 53 O GLU A 4 5.420 0.758 -7.952 1.00 0.00 O ATOM 54 CB GLU A 4 4.295 3.162 -5.935 1.00 0.00 C ATOM 55 CG GLU A 4 3.191 4.201 -5.695 1.00 0.00 C ATOM 56 CD GLU A 4 3.718 5.374 -4.876 1.00 0.00 C ATOM 57 OE1 GLU A 4 3.673 5.258 -3.633 1.00 0.00 O ATOM 58 OE2 GLU A 4 4.165 6.355 -5.509 1.00 0.00 O ATOM 0 H GLU A 4 2.583 1.700 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 4 3.405 2.215 -7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.732 2.872 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.092 3.612 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.811 4.561 -6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.354 3.735 -5.174 1.00 0.00 H new ATOM 65 N GLU A 5 5.221 0.140 -5.798 1.00 0.00 N ATOM 66 CA GLU A 5 6.194 -0.936 -5.897 1.00 0.00 C ATOM 67 C GLU A 5 5.742 -1.935 -6.968 1.00 0.00 C ATOM 68 O GLU A 5 6.492 -2.256 -7.888 1.00 0.00 O ATOM 69 CB GLU A 5 6.373 -1.596 -4.520 1.00 0.00 C ATOM 70 CG GLU A 5 7.457 -2.685 -4.517 1.00 0.00 C ATOM 71 CD GLU A 5 8.834 -2.132 -4.873 1.00 0.00 C ATOM 72 OE1 GLU A 5 9.364 -1.361 -4.044 1.00 0.00 O ATOM 73 OE2 GLU A 5 9.324 -2.479 -5.969 1.00 0.00 O ATOM 0 H GLU A 5 4.830 0.268 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 5 7.165 -0.545 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.631 -0.832 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.425 -2.033 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.498 -3.151 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.187 -3.466 -5.228 1.00 0.00 H new ATOM 80 N LEU A 6 4.499 -2.407 -6.858 1.00 0.00 N ATOM 81 CA LEU A 6 3.942 -3.392 -7.772 1.00 0.00 C ATOM 82 C LEU A 6 3.939 -2.837 -9.194 1.00 0.00 C ATOM 83 O LEU A 6 4.294 -3.558 -10.122 1.00 0.00 O ATOM 84 CB LEU A 6 2.535 -3.821 -7.338 1.00 0.00 C ATOM 85 CG LEU A 6 2.509 -4.496 -5.954 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.090 -4.434 -5.386 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.972 -5.953 -6.027 1.00 0.00 C ATOM 0 H LEU A 6 3.851 -2.112 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 6 4.570 -4.283 -7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.884 -2.947 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.127 -4.509 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 6 3.199 -3.960 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.069 -4.911 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.782 -3.393 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.406 -4.954 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.940 -6.395 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.314 -6.511 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.992 -5.992 -6.409 1.00 0.00 H new ATOM 99 N LYS A 7 3.571 -1.564 -9.377 1.00 0.00 N ATOM 100 CA LYS A 7 3.685 -0.897 -10.661 1.00 0.00 C ATOM 101 C LYS A 7 5.123 -0.959 -11.174 1.00 0.00 C ATOM 102 O LYS A 7 5.344 -1.367 -12.307 1.00 0.00 O ATOM 103 CB LYS A 7 3.195 0.547 -10.535 1.00 0.00 C ATOM 104 CG LYS A 7 3.052 1.216 -11.907 1.00 0.00 C ATOM 105 CD LYS A 7 2.454 2.616 -11.751 1.00 0.00 C ATOM 106 CE LYS A 7 3.488 3.627 -11.237 1.00 0.00 C ATOM 107 NZ LYS A 7 2.918 4.983 -11.164 1.00 0.00 N ATOM 0 H LYS A 7 3.188 -0.976 -8.636 1.00 0.00 H new ATOM 0 HA LYS A 7 3.058 -1.410 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.234 0.562 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.894 1.117 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.026 1.280 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.415 0.610 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.063 2.953 -12.711 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.611 2.576 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.838 3.323 -10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.356 3.630 -11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.640 5.645 -10.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.607 5.280 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.104 4.983 -10.516 1.00 0.00 H new ATOM 121 N GLY A 8 6.101 -0.563 -10.360 1.00 0.00 N ATOM 122 CA GLY A 8 7.500 -0.581 -10.756 1.00 0.00 C ATOM 123 C GLY A 8 7.927 -1.973 -11.221 1.00 0.00 C ATOM 124 O GLY A 8 8.459 -2.130 -12.321 1.00 0.00 O ATOM 0 H GLY A 8 5.942 -0.223 -9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.662 0.139 -11.558 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.122 -0.269 -9.917 1.00 0.00 H new ATOM 128 N ILE A 9 7.699 -2.986 -10.379 1.00 0.00 N ATOM 129 CA ILE A 9 7.953 -4.386 -10.710 1.00 0.00 C ATOM 130 C ILE A 9 7.298 -4.708 -12.056 1.00 0.00 C ATOM 131 O ILE A 9 7.979 -5.077 -13.015 1.00 0.00 O ATOM 132 CB ILE A 9 7.422 -5.278 -9.563 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.225 -5.087 -8.263 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.453 -6.765 -9.912 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.664 -5.939 -7.117 1.00 0.00 C ATOM 0 H ILE A 9 7.329 -2.852 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 9 9.021 -4.580 -10.811 1.00 0.00 H new ATOM 0 HB ILE A 9 6.390 -4.960 -9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.268 -5.353 -8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.208 -4.036 -7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.070 -7.344 -9.072 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.833 -6.946 -10.790 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.479 -7.068 -10.123 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.258 -5.776 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.629 -5.655 -6.925 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.705 -6.993 -7.393 1.00 0.00 H new ATOM 147 N PHE A 10 5.973 -4.559 -12.113 1.00 0.00 N ATOM 148 CA PHE A 10 5.154 -4.819 -13.283 1.00 0.00 C ATOM 149 C PHE A 10 5.795 -4.211 -14.535 1.00 0.00 C ATOM 150 O PHE A 10 6.089 -4.930 -15.484 1.00 0.00 O ATOM 151 CB PHE A 10 3.736 -4.299 -13.010 1.00 0.00 C ATOM 152 CG PHE A 10 2.833 -4.287 -14.216 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.834 -3.172 -15.066 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.056 -5.411 -14.542 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.171 -3.230 -16.294 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.354 -5.450 -15.755 1.00 0.00 C ATOM 157 CZ PHE A 10 1.466 -4.387 -16.659 1.00 0.00 C ATOM 0 H PHE A 10 5.427 -4.242 -11.312 1.00 0.00 H new ATOM 0 HA PHE A 10 5.085 -5.889 -13.478 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.279 -4.915 -12.236 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.804 -3.286 -12.612 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.347 -2.269 -14.771 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.999 -6.245 -13.858 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.201 -2.383 -16.964 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.728 -6.298 -15.991 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.011 -4.457 -17.636 1.00 0.00 H new ATOM 167 N GLU A 11 6.048 -2.901 -14.529 1.00 0.00 N ATOM 168 CA GLU A 11 6.658 -2.191 -15.641 1.00 0.00 C ATOM 169 C GLU A 11 8.013 -2.799 -16.030 1.00 0.00 C ATOM 170 O GLU A 11 8.265 -3.033 -17.213 1.00 0.00 O ATOM 171 CB GLU A 11 6.768 -0.696 -15.313 1.00 0.00 C ATOM 172 CG GLU A 11 5.366 -0.067 -15.286 1.00 0.00 C ATOM 173 CD GLU A 11 5.367 1.436 -15.025 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.358 1.923 -14.438 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.353 2.066 -15.399 1.00 0.00 O ATOM 0 H GLU A 11 5.829 -2.299 -13.735 1.00 0.00 H new ATOM 0 HA GLU A 11 6.015 -2.299 -16.514 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.256 -0.561 -14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.388 -0.195 -16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.874 -0.260 -16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.773 -0.559 -14.515 1.00 0.00 H new ATOM 182 N LYS A 12 8.892 -3.054 -15.054 1.00 0.00 N ATOM 183 CA LYS A 12 10.197 -3.639 -15.344 1.00 0.00 C ATOM 184 C LYS A 12 10.069 -4.999 -16.036 1.00 0.00 C ATOM 185 O LYS A 12 10.790 -5.256 -16.998 1.00 0.00 O ATOM 186 CB LYS A 12 11.065 -3.733 -14.082 1.00 0.00 C ATOM 187 CG LYS A 12 11.568 -2.350 -13.644 1.00 0.00 C ATOM 188 CD LYS A 12 12.659 -2.445 -12.565 1.00 0.00 C ATOM 189 CE LYS A 12 12.206 -3.165 -11.290 1.00 0.00 C ATOM 190 NZ LYS A 12 11.029 -2.518 -10.689 1.00 0.00 N ATOM 0 H LYS A 12 8.722 -2.865 -14.066 1.00 0.00 H new ATOM 0 HA LYS A 12 10.701 -2.968 -16.040 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.488 -4.185 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.915 -4.388 -14.271 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.961 -1.817 -14.510 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.731 -1.765 -13.262 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.522 -2.967 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.989 -1.439 -12.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.971 -4.204 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.023 -3.177 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.803 -2.980 -9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.233 -1.512 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.218 -2.604 -11.334 1.00 0.00 H new ATOM 204 N TYR A 13 9.176 -5.876 -15.571 1.00 0.00 N ATOM 205 CA TYR A 13 8.922 -7.120 -16.296 1.00 0.00 C ATOM 206 C TYR A 13 8.326 -6.848 -17.679 1.00 0.00 C ATOM 207 O TYR A 13 8.865 -7.292 -18.689 1.00 0.00 O ATOM 208 CB TYR A 13 8.039 -8.056 -15.474 1.00 0.00 C ATOM 209 CG TYR A 13 8.812 -8.769 -14.389 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.553 -9.922 -14.701 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.790 -8.292 -13.070 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.257 -10.595 -13.690 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.518 -8.951 -12.066 1.00 0.00 C ATOM 214 CZ TYR A 13 10.245 -10.111 -12.373 1.00 0.00 C ATOM 215 OH TYR A 13 10.876 -10.815 -11.390 1.00 0.00 O ATOM 0 H TYR A 13 8.630 -5.753 -14.718 1.00 0.00 H new ATOM 0 HA TYR A 13 9.878 -7.620 -16.453 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.228 -7.484 -15.023 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.581 -8.792 -16.134 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.581 -10.289 -15.716 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.211 -7.414 -12.825 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.811 -11.491 -13.927 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.518 -8.565 -11.057 1.00 0.00 H new ATOM 0 HH TYR A 13 10.561 -10.508 -10.514 1.00 0.00 H new ATOM 225 N ALA A 14 7.207 -6.132 -17.723 1.00 0.00 N ATOM 226 CA ALA A 14 6.493 -5.725 -18.924 1.00 0.00 C ATOM 227 C ALA A 14 7.430 -5.276 -20.042 1.00 0.00 C ATOM 228 O ALA A 14 7.273 -5.706 -21.178 1.00 0.00 O ATOM 229 CB ALA A 14 5.518 -4.606 -18.580 1.00 0.00 C ATOM 0 H ALA A 14 6.750 -5.803 -16.873 1.00 0.00 H new ATOM 0 HA ALA A 14 5.953 -6.596 -19.295 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.983 -4.301 -19.479 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.805 -4.961 -17.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.068 -3.755 -18.178 1.00 0.00 H new ATOM 235 N ALA A 15 8.419 -4.440 -19.722 1.00 0.00 N ATOM 236 CA ALA A 15 9.460 -4.015 -20.656 1.00 0.00 C ATOM 237 C ALA A 15 10.012 -5.143 -21.546 1.00 0.00 C ATOM 238 O ALA A 15 10.325 -4.900 -22.709 1.00 0.00 O ATOM 239 CB ALA A 15 10.594 -3.336 -19.884 1.00 0.00 C ATOM 0 H ALA A 15 8.520 -4.034 -18.792 1.00 0.00 H new ATOM 0 HA ALA A 15 8.990 -3.311 -21.342 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.370 -3.019 -20.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.204 -2.466 -19.355 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.016 -4.038 -19.165 1.00 0.00 H new ATOM 245 N LYS A 16 10.137 -6.377 -21.040 1.00 0.00 N ATOM 246 CA LYS A 16 10.628 -7.510 -21.827 1.00 0.00 C ATOM 247 C LYS A 16 9.679 -7.835 -22.993 1.00 0.00 C ATOM 248 O LYS A 16 10.121 -8.301 -24.040 1.00 0.00 O ATOM 249 CB LYS A 16 10.857 -8.737 -20.930 1.00 0.00 C ATOM 250 CG LYS A 16 12.144 -8.673 -20.089 1.00 0.00 C ATOM 251 CD LYS A 16 12.236 -7.432 -19.193 1.00 0.00 C ATOM 252 CE LYS A 16 13.371 -7.542 -18.172 1.00 0.00 C ATOM 253 NZ LYS A 16 13.457 -6.313 -17.364 1.00 0.00 N ATOM 0 H LYS A 16 9.901 -6.615 -20.077 1.00 0.00 H new ATOM 0 HA LYS A 16 11.588 -7.228 -22.261 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.004 -8.848 -20.260 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.889 -9.629 -21.555 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.204 -9.565 -19.466 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.005 -8.692 -20.757 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.391 -6.549 -19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.290 -7.292 -18.669 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.202 -8.401 -17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.316 -7.713 -18.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.882 -6.534 -16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.046 -5.613 -17.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.503 -5.924 -17.222 1.00 0.00 H new ATOM 267 N GLU A 17 8.386 -7.532 -22.842 1.00 0.00 N ATOM 268 CA GLU A 17 7.382 -7.584 -23.899 1.00 0.00 C ATOM 269 C GLU A 17 7.536 -6.407 -24.883 1.00 0.00 C ATOM 270 O GLU A 17 6.671 -6.191 -25.732 1.00 0.00 O ATOM 271 CB GLU A 17 5.987 -7.545 -23.248 1.00 0.00 C ATOM 272 CG GLU A 17 4.885 -8.164 -24.120 1.00 0.00 C ATOM 273 CD GLU A 17 3.509 -7.657 -23.702 1.00 0.00 C ATOM 274 OE1 GLU A 17 3.172 -6.524 -24.108 1.00 0.00 O ATOM 275 OE2 GLU A 17 2.810 -8.410 -22.991 1.00 0.00 O ATOM 0 H GLU A 17 8.000 -7.233 -21.946 1.00 0.00 H new ATOM 0 HA GLU A 17 7.514 -8.505 -24.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.025 -8.073 -22.295 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.726 -6.510 -23.028 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.064 -7.919 -25.167 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.917 -9.250 -24.036 1.00 0.00 H new ATOM 282 N GLY A 18 8.577 -5.578 -24.757 1.00 0.00 N ATOM 283 CA GLY A 18 8.719 -4.362 -25.536 1.00 0.00 C ATOM 284 C GLY A 18 7.827 -3.271 -24.947 1.00 0.00 C ATOM 285 O GLY A 18 8.324 -2.249 -24.482 1.00 0.00 O ATOM 0 H GLY A 18 9.345 -5.740 -24.105 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.759 -4.036 -25.534 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.445 -4.549 -26.574 1.00 0.00 H new ATOM 289 N ASP A 19 6.509 -3.489 -24.957 1.00 0.00 N ATOM 290 CA ASP A 19 5.545 -2.560 -24.381 1.00 0.00 C ATOM 291 C ASP A 19 5.804 -2.404 -22.876 1.00 0.00 C ATOM 292 O ASP A 19 5.564 -3.350 -22.126 1.00 0.00 O ATOM 293 CB ASP A 19 4.120 -3.072 -24.622 1.00 0.00 C ATOM 294 CG ASP A 19 3.090 -2.102 -24.048 1.00 0.00 C ATOM 295 OD1 ASP A 19 2.875 -2.154 -22.818 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.557 -1.303 -24.847 1.00 0.00 O ATOM 0 H ASP A 19 6.083 -4.320 -25.368 1.00 0.00 H new ATOM 0 HA ASP A 19 5.656 -1.587 -24.860 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.950 -3.199 -25.691 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.999 -4.053 -24.162 1.00 0.00 H new ATOM 301 N PRO A 20 6.222 -1.228 -22.383 1.00 0.00 N ATOM 302 CA PRO A 20 6.615 -1.056 -20.991 1.00 0.00 C ATOM 303 C PRO A 20 5.399 -0.897 -20.067 1.00 0.00 C ATOM 304 O PRO A 20 5.450 -0.137 -19.099 1.00 0.00 O ATOM 305 CB PRO A 20 7.498 0.197 -21.008 1.00 0.00 C ATOM 306 CG PRO A 20 6.811 1.051 -22.074 1.00 0.00 C ATOM 307 CD PRO A 20 6.413 0.012 -23.121 1.00 0.00 C ATOM 0 HA PRO A 20 7.141 -1.925 -20.596 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.521 0.694 -20.038 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.530 -0.034 -21.272 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.944 1.579 -21.675 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.482 1.805 -22.485 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.500 0.306 -23.638 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.188 -0.098 -23.880 1.00 0.00 H new ATOM 315 N ASN A 21 4.291 -1.595 -20.345 1.00 0.00 N ATOM 316 CA ASN A 21 3.110 -1.539 -19.495 1.00 0.00 C ATOM 317 C ASN A 21 2.163 -2.730 -19.683 1.00 0.00 C ATOM 318 O ASN A 21 0.985 -2.630 -19.334 1.00 0.00 O ATOM 319 CB ASN A 21 2.379 -0.193 -19.679 1.00 0.00 C ATOM 320 CG ASN A 21 2.175 0.497 -18.337 1.00 0.00 C ATOM 321 OD1 ASN A 21 1.071 0.555 -17.804 1.00 0.00 O ATOM 322 ND2 ASN A 21 3.265 1.013 -17.779 1.00 0.00 N ATOM 0 H ASN A 21 4.194 -2.205 -21.156 1.00 0.00 H new ATOM 0 HA ASN A 21 3.460 -1.610 -18.465 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.956 0.452 -20.341 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.414 -0.360 -20.158 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.203 1.479 -16.874 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.164 0.943 -18.256 1.00 0.00 H new ATOM 329 N GLN A 22 2.658 -3.862 -20.196 1.00 0.00 N ATOM 330 CA GLN A 22 1.844 -5.041 -20.458 1.00 0.00 C ATOM 331 C GLN A 22 2.713 -6.308 -20.352 1.00 0.00 C ATOM 332 O GLN A 22 3.844 -6.307 -20.828 1.00 0.00 O ATOM 333 CB GLN A 22 1.160 -4.840 -21.817 1.00 0.00 C ATOM 334 CG GLN A 22 0.238 -6.002 -22.185 1.00 0.00 C ATOM 335 CD GLN A 22 -1.144 -5.554 -22.660 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.926 -5.024 -21.878 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.484 -5.793 -23.922 1.00 0.00 N ATOM 0 H GLN A 22 3.641 -3.980 -20.440 1.00 0.00 H new ATOM 0 HA GLN A 22 1.056 -5.178 -19.717 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.583 -3.915 -21.797 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.920 -4.725 -22.589 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.709 -6.595 -22.969 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.123 -6.653 -21.318 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.817 -6.235 -24.555 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.412 -5.534 -24.258 1.00 0.00 H new ATOM 346 N LEU A 23 2.213 -7.362 -19.684 1.00 0.00 N ATOM 347 CA LEU A 23 2.940 -8.604 -19.400 1.00 0.00 C ATOM 348 C LEU A 23 2.335 -9.755 -20.201 1.00 0.00 C ATOM 349 O LEU A 23 1.158 -10.047 -20.008 1.00 0.00 O ATOM 350 CB LEU A 23 2.760 -8.997 -17.919 1.00 0.00 C ATOM 351 CG LEU A 23 3.249 -8.006 -16.865 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.753 -8.481 -15.500 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.759 -7.944 -16.730 1.00 0.00 C ATOM 0 H LEU A 23 1.261 -7.370 -19.317 1.00 0.00 H new ATOM 0 HA LEU A 23 3.987 -8.436 -19.651 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.699 -9.178 -17.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.276 -9.943 -17.756 1.00 0.00 H new ATOM 0 HG LEU A 23 2.877 -7.030 -17.175 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.090 -7.788 -14.729 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.664 -8.520 -15.502 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.151 -9.475 -15.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.026 -7.218 -15.962 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.140 -8.926 -16.449 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.197 -7.643 -17.682 1.00 0.00 H new ATOM 365 N SER A 24 3.093 -10.470 -21.035 1.00 0.00 N ATOM 366 CA SER A 24 2.582 -11.708 -21.612 1.00 0.00 C ATOM 367 C SER A 24 2.811 -12.856 -20.636 1.00 0.00 C ATOM 368 O SER A 24 3.529 -12.686 -19.654 1.00 0.00 O ATOM 369 CB SER A 24 3.144 -11.975 -23.010 1.00 0.00 C ATOM 370 OG SER A 24 2.372 -12.990 -23.635 1.00 0.00 O ATOM 0 H SER A 24 4.040 -10.219 -21.319 1.00 0.00 H new ATOM 0 HA SER A 24 1.507 -11.610 -21.764 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.119 -11.063 -23.606 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.187 -12.283 -22.943 1.00 0.00 H new ATOM 0 HG SER A 24 1.431 -12.718 -23.658 1.00 0.00 H new ATOM 376 N LYS A 25 2.203 -14.015 -20.906 1.00 0.00 N ATOM 377 CA LYS A 25 2.311 -15.245 -20.129 1.00 0.00 C ATOM 378 C LYS A 25 3.737 -15.439 -19.619 1.00 0.00 C ATOM 379 O LYS A 25 3.934 -15.684 -18.434 1.00 0.00 O ATOM 380 CB LYS A 25 1.880 -16.462 -20.969 1.00 0.00 C ATOM 381 CG LYS A 25 0.546 -16.283 -21.715 1.00 0.00 C ATOM 382 CD LYS A 25 0.136 -17.557 -22.468 1.00 0.00 C ATOM 383 CE LYS A 25 -0.495 -18.629 -21.572 1.00 0.00 C ATOM 384 NZ LYS A 25 -1.814 -18.207 -21.066 1.00 0.00 N ATOM 0 H LYS A 25 1.591 -14.122 -21.715 1.00 0.00 H new ATOM 0 HA LYS A 25 1.643 -15.160 -19.272 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.662 -16.681 -21.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.802 -17.330 -20.314 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.235 -16.015 -21.003 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.632 -15.456 -22.420 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.571 -17.292 -23.254 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.015 -17.977 -22.958 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.600 -19.557 -22.134 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.168 -18.838 -20.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.833 -18.297 -20.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.987 -17.216 -21.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.554 -18.810 -21.480 1.00 0.00 H new ATOM 398 N GLU A 26 4.728 -15.281 -20.502 1.00 0.00 N ATOM 399 CA GLU A 26 6.135 -15.354 -20.144 1.00 0.00 C ATOM 400 C GLU A 26 6.462 -14.437 -18.962 1.00 0.00 C ATOM 401 O GLU A 26 6.987 -14.902 -17.947 1.00 0.00 O ATOM 402 CB GLU A 26 6.992 -15.030 -21.376 1.00 0.00 C ATOM 403 CG GLU A 26 8.488 -15.252 -21.107 1.00 0.00 C ATOM 404 CD GLU A 26 9.323 -14.969 -22.350 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.175 -15.745 -23.319 1.00 0.00 O ATOM 406 OE2 GLU A 26 10.090 -13.982 -22.313 1.00 0.00 O ATOM 0 H GLU A 26 4.567 -15.097 -21.492 1.00 0.00 H new ATOM 0 HA GLU A 26 6.366 -16.368 -19.818 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.677 -15.654 -22.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.826 -13.994 -21.672 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.813 -14.604 -20.293 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.653 -16.279 -20.782 1.00 0.00 H new ATOM 413 N GLU A 27 6.145 -13.141 -19.080 1.00 0.00 N ATOM 414 CA GLU A 27 6.401 -12.225 -17.983 1.00 0.00 C ATOM 415 C GLU A 27 5.574 -12.659 -16.774 1.00 0.00 C ATOM 416 O GLU A 27 6.086 -12.663 -15.656 1.00 0.00 O ATOM 417 CB GLU A 27 6.056 -10.774 -18.339 1.00 0.00 C ATOM 418 CG GLU A 27 7.057 -10.035 -19.236 1.00 0.00 C ATOM 419 CD GLU A 27 6.998 -10.508 -20.686 1.00 0.00 C ATOM 420 OE1 GLU A 27 5.864 -10.592 -21.209 1.00 0.00 O ATOM 421 OE2 GLU A 27 8.080 -10.786 -21.244 1.00 0.00 O ATOM 0 H GLU A 27 5.721 -12.719 -19.907 1.00 0.00 H new ATOM 0 HA GLU A 27 7.468 -12.260 -17.761 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.084 -10.765 -18.832 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.948 -10.211 -17.412 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.854 -8.965 -19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.065 -10.183 -18.849 1.00 0.00 H new ATOM 428 N LEU A 28 4.295 -12.994 -16.987 1.00 0.00 N ATOM 429 CA LEU A 28 3.395 -13.278 -15.887 1.00 0.00 C ATOM 430 C LEU A 28 3.917 -14.447 -15.042 1.00 0.00 C ATOM 431 O LEU A 28 3.996 -14.330 -13.823 1.00 0.00 O ATOM 432 CB LEU A 28 1.943 -13.442 -16.359 1.00 0.00 C ATOM 433 CG LEU A 28 0.980 -13.221 -15.175 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.722 -11.731 -14.910 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.377 -13.895 -15.376 1.00 0.00 C ATOM 0 H LEU A 28 3.871 -13.072 -17.912 1.00 0.00 H new ATOM 0 HA LEU A 28 3.375 -12.413 -15.224 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.727 -12.728 -17.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.797 -14.438 -16.777 1.00 0.00 H new ATOM 0 HG LEU A 28 1.486 -13.674 -14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.038 -11.624 -14.068 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.664 -11.234 -14.678 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.280 -11.275 -15.796 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.010 -13.703 -14.510 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.854 -13.493 -16.270 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.236 -14.970 -15.492 1.00 0.00 H new ATOM 447 N LYS A 29 4.328 -15.561 -15.660 1.00 0.00 N ATOM 448 CA LYS A 29 4.951 -16.641 -14.901 1.00 0.00 C ATOM 449 C LYS A 29 6.133 -16.101 -14.132 1.00 0.00 C ATOM 450 O LYS A 29 6.225 -16.279 -12.918 1.00 0.00 O ATOM 451 CB LYS A 29 5.480 -17.769 -15.803 1.00 0.00 C ATOM 452 CG LYS A 29 4.390 -18.474 -16.591 1.00 0.00 C ATOM 453 CD LYS A 29 4.999 -19.532 -17.521 1.00 0.00 C ATOM 454 CE LYS A 29 3.924 -20.297 -18.301 1.00 0.00 C ATOM 455 NZ LYS A 29 3.117 -21.167 -17.425 1.00 0.00 N ATOM 0 H LYS A 29 4.241 -15.733 -16.662 1.00 0.00 H new ATOM 0 HA LYS A 29 4.180 -17.042 -14.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.211 -17.356 -16.498 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.004 -18.500 -15.188 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.685 -18.945 -15.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.828 -17.747 -17.177 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.681 -19.050 -18.221 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.590 -20.235 -16.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.270 -19.587 -18.808 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.399 -20.901 -19.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.059 -22.119 -17.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.562 -21.224 -16.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.160 -20.772 -17.330 1.00 0.00 H new ATOM 469 N LEU A 30 7.040 -15.479 -14.876 1.00 0.00 N ATOM 470 CA LEU A 30 8.307 -15.042 -14.322 1.00 0.00 C ATOM 471 C LEU A 30 8.078 -14.209 -13.055 1.00 0.00 C ATOM 472 O LEU A 30 8.591 -14.564 -11.990 1.00 0.00 O ATOM 473 CB LEU A 30 9.133 -14.318 -15.395 1.00 0.00 C ATOM 474 CG LEU A 30 10.611 -14.145 -15.009 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.355 -15.484 -14.907 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.305 -13.289 -16.076 1.00 0.00 C ATOM 0 H LEU A 30 6.917 -15.268 -15.866 1.00 0.00 H new ATOM 0 HA LEU A 30 8.895 -15.907 -14.013 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.071 -14.876 -16.329 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.696 -13.337 -15.580 1.00 0.00 H new ATOM 0 HG LEU A 30 10.638 -13.670 -14.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.394 -15.303 -14.632 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.882 -16.106 -14.148 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.318 -15.995 -15.869 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.355 -13.160 -15.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.232 -13.785 -17.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.822 -12.314 -16.131 1.00 0.00 H new ATOM 488 N LEU A 31 7.278 -13.137 -13.130 1.00 0.00 N ATOM 489 CA LEU A 31 7.116 -12.268 -11.974 1.00 0.00 C ATOM 490 C LEU A 31 6.218 -12.898 -10.913 1.00 0.00 C ATOM 491 O LEU A 31 6.466 -12.681 -9.731 1.00 0.00 O ATOM 492 CB LEU A 31 6.791 -10.805 -12.332 1.00 0.00 C ATOM 493 CG LEU A 31 5.331 -10.347 -12.359 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.228 -8.834 -12.563 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.595 -11.002 -13.512 1.00 0.00 C ATOM 0 H LEU A 31 6.749 -12.862 -13.958 1.00 0.00 H new ATOM 0 HA LEU A 31 8.095 -12.182 -11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.321 -10.169 -11.623 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.215 -10.607 -13.317 1.00 0.00 H new ATOM 0 HG LEU A 31 4.892 -10.629 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.179 -8.539 -12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.737 -8.321 -11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.694 -8.562 -13.510 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.558 -10.667 -13.519 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.072 -10.725 -14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.626 -12.085 -13.395 1.00 0.00 H new ATOM 507 N LEU A 32 5.208 -13.698 -11.273 1.00 0.00 N ATOM 508 CA LEU A 32 4.383 -14.304 -10.233 1.00 0.00 C ATOM 509 C LEU A 32 5.177 -15.327 -9.441 1.00 0.00 C ATOM 510 O LEU A 32 5.144 -15.298 -8.214 1.00 0.00 O ATOM 511 CB LEU A 32 3.025 -14.812 -10.746 1.00 0.00 C ATOM 512 CG LEU A 32 1.967 -13.701 -10.723 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.431 -12.467 -11.486 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.690 -14.190 -11.393 1.00 0.00 C ATOM 0 H LEU A 32 4.953 -13.931 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 32 4.108 -13.516 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.136 -15.190 -11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.691 -15.647 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 32 1.797 -13.444 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.655 -11.702 -11.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.344 -12.081 -11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.626 -12.734 -12.525 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.058 -13.397 -11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.903 -14.463 -12.427 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.309 -15.061 -10.859 1.00 0.00 H new ATOM 526 N GLN A 33 5.950 -16.177 -10.111 1.00 0.00 N ATOM 527 CA GLN A 33 6.815 -17.093 -9.390 1.00 0.00 C ATOM 528 C GLN A 33 7.828 -16.310 -8.551 1.00 0.00 C ATOM 529 O GLN A 33 7.983 -16.584 -7.364 1.00 0.00 O ATOM 530 CB GLN A 33 7.544 -18.047 -10.357 1.00 0.00 C ATOM 531 CG GLN A 33 6.963 -19.467 -10.444 1.00 0.00 C ATOM 532 CD GLN A 33 5.626 -19.646 -11.168 1.00 0.00 C ATOM 533 OE1 GLN A 33 4.998 -20.695 -11.045 1.00 0.00 O ATOM 534 NE2 GLN A 33 5.177 -18.676 -11.957 1.00 0.00 N ATOM 0 H GLN A 33 5.993 -16.248 -11.128 1.00 0.00 H new ATOM 0 HA GLN A 33 6.195 -17.696 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.532 -17.606 -11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.588 -18.118 -10.052 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.699 -20.101 -10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.847 -19.845 -9.428 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.706 -17.809 -12.052 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.303 -18.798 -12.468 1.00 0.00 H new ATOM 543 N THR A 34 8.539 -15.365 -9.171 1.00 0.00 N ATOM 544 CA THR A 34 9.645 -14.690 -8.500 1.00 0.00 C ATOM 545 C THR A 34 9.147 -13.835 -7.330 1.00 0.00 C ATOM 546 O THR A 34 9.663 -13.940 -6.219 1.00 0.00 O ATOM 547 CB THR A 34 10.469 -13.872 -9.507 1.00 0.00 C ATOM 548 OG1 THR A 34 10.897 -14.717 -10.556 1.00 0.00 O ATOM 549 CG2 THR A 34 11.717 -13.265 -8.863 1.00 0.00 C ATOM 0 H THR A 34 8.369 -15.054 -10.127 1.00 0.00 H new ATOM 0 HA THR A 34 10.305 -15.447 -8.076 1.00 0.00 H new ATOM 0 HB THR A 34 9.830 -13.068 -9.873 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.212 -14.742 -11.256 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.271 -12.695 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.421 -12.605 -8.048 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.349 -14.062 -8.473 1.00 0.00 H new ATOM 557 N GLU A 35 8.173 -12.961 -7.585 1.00 0.00 N ATOM 558 CA GLU A 35 7.731 -11.953 -6.639 1.00 0.00 C ATOM 559 C GLU A 35 6.613 -12.485 -5.740 1.00 0.00 C ATOM 560 O GLU A 35 6.550 -12.112 -4.568 1.00 0.00 O ATOM 561 CB GLU A 35 7.249 -10.710 -7.397 1.00 0.00 C ATOM 562 CG GLU A 35 8.197 -10.229 -8.509 1.00 0.00 C ATOM 563 CD GLU A 35 9.579 -9.815 -8.019 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.664 -9.301 -6.883 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.526 -10.000 -8.815 1.00 0.00 O ATOM 0 H GLU A 35 7.666 -12.939 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 35 8.575 -11.689 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.274 -10.924 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.106 -9.898 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.309 -11.025 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.738 -9.384 -9.021 1.00 0.00 H new ATOM 572 N PHE A 36 5.717 -13.329 -6.276 1.00 0.00 N ATOM 573 CA PHE A 36 4.495 -13.715 -5.578 1.00 0.00 C ATOM 574 C PHE A 36 4.322 -15.237 -5.432 1.00 0.00 C ATOM 575 O PHE A 36 3.275 -15.745 -5.833 1.00 0.00 O ATOM 576 CB PHE A 36 3.317 -13.107 -6.355 1.00 0.00 C ATOM 577 CG PHE A 36 3.467 -11.627 -6.679 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.670 -10.687 -5.654 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.493 -11.196 -8.014 1.00 0.00 C ATOM 580 CE1 PHE A 36 4.000 -9.357 -5.971 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.885 -9.889 -8.338 1.00 0.00 C ATOM 582 CZ PHE A 36 4.155 -8.969 -7.313 1.00 0.00 C ATOM 0 H PHE A 36 5.823 -13.756 -7.196 1.00 0.00 H new ATOM 0 HA PHE A 36 4.543 -13.337 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.190 -13.658 -7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.405 -13.248 -5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.572 -10.987 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.208 -11.878 -8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.135 -8.632 -5.182 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.979 -9.592 -9.372 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.480 -7.968 -7.554 1.00 0.00 H new ATOM 592 N PRO A 37 5.281 -15.971 -4.832 1.00 0.00 N ATOM 593 CA PRO A 37 5.147 -17.390 -4.536 1.00 0.00 C ATOM 594 C PRO A 37 3.756 -17.780 -4.035 1.00 0.00 C ATOM 595 O PRO A 37 3.111 -17.031 -3.303 1.00 0.00 O ATOM 596 CB PRO A 37 6.208 -17.693 -3.477 1.00 0.00 C ATOM 597 CG PRO A 37 7.326 -16.729 -3.852 1.00 0.00 C ATOM 598 CD PRO A 37 6.572 -15.499 -4.358 1.00 0.00 C ATOM 0 HA PRO A 37 5.285 -17.972 -5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.838 -17.513 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.536 -18.732 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.956 -16.491 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.977 -17.147 -4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.448 -14.765 -3.561 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.124 -15.009 -5.160 1.00 0.00 H new ATOM 606 N SER A 38 3.285 -18.951 -4.464 1.00 0.00 N ATOM 607 CA SER A 38 1.999 -19.532 -4.090 1.00 0.00 C ATOM 608 C SER A 38 0.803 -18.837 -4.752 1.00 0.00 C ATOM 609 O SER A 38 -0.127 -19.531 -5.164 1.00 0.00 O ATOM 610 CB SER A 38 1.845 -19.634 -2.567 1.00 0.00 C ATOM 611 OG SER A 38 2.982 -20.275 -2.017 1.00 0.00 O ATOM 0 H SER A 38 3.811 -19.543 -5.107 1.00 0.00 H new ATOM 0 HA SER A 38 1.998 -20.548 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.731 -18.640 -2.135 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.943 -20.194 -2.319 1.00 0.00 H new ATOM 0 HG SER A 38 2.883 -20.338 -1.044 1.00 0.00 H new ATOM 617 N LEU A 39 0.813 -17.507 -4.906 1.00 0.00 N ATOM 618 CA LEU A 39 -0.239 -16.755 -5.595 1.00 0.00 C ATOM 619 C LEU A 39 -0.121 -16.952 -7.117 1.00 0.00 C ATOM 620 O LEU A 39 0.087 -16.008 -7.877 1.00 0.00 O ATOM 621 CB LEU A 39 -0.192 -15.269 -5.200 1.00 0.00 C ATOM 622 CG LEU A 39 -0.613 -14.928 -3.757 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.054 -15.350 -3.449 1.00 0.00 C ATOM 624 CD2 LEU A 39 0.338 -15.453 -2.678 1.00 0.00 C ATOM 0 H LEU A 39 1.564 -16.916 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.212 -17.138 -5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.825 -14.907 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.835 -14.714 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.554 -13.840 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.298 -15.086 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.736 -14.837 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.154 -16.427 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.035 -15.168 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.397 -16.539 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.330 -15.026 -2.828 1.00 0.00 H new ATOM 636 N LEU A 40 -0.275 -18.212 -7.528 1.00 0.00 N ATOM 637 CA LEU A 40 -0.181 -18.786 -8.869 1.00 0.00 C ATOM 638 C LEU A 40 -0.296 -20.320 -8.833 1.00 0.00 C ATOM 639 O LEU A 40 -0.453 -20.940 -9.885 1.00 0.00 O ATOM 640 CB LEU A 40 1.050 -18.313 -9.677 1.00 0.00 C ATOM 641 CG LEU A 40 2.483 -18.593 -9.171 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.871 -17.803 -7.923 1.00 0.00 C ATOM 643 CD2 LEU A 40 2.799 -20.071 -8.940 1.00 0.00 C ATOM 0 H LEU A 40 -0.494 -18.939 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.040 -18.396 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.969 -18.753 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.958 -17.234 -9.798 1.00 0.00 H new ATOM 0 HG LEU A 40 3.091 -18.244 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.891 -18.057 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.809 -16.735 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.190 -18.051 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.825 -20.173 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.116 -20.477 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.682 -20.619 -9.875 1.00 0.00 H new ATOM 655 N LYS A 41 -0.213 -20.943 -7.646 1.00 0.00 N ATOM 656 CA LYS A 41 -0.270 -22.383 -7.420 1.00 0.00 C ATOM 657 C LYS A 41 0.999 -23.062 -7.940 1.00 0.00 C ATOM 658 O LYS A 41 1.767 -23.616 -7.157 1.00 0.00 O ATOM 659 CB LYS A 41 -1.571 -22.983 -7.977 1.00 0.00 C ATOM 660 CG LYS A 41 -2.100 -24.178 -7.169 1.00 0.00 C ATOM 661 CD LYS A 41 -1.187 -25.416 -7.138 1.00 0.00 C ATOM 662 CE LYS A 41 -0.870 -25.998 -8.522 1.00 0.00 C ATOM 663 NZ LYS A 41 -2.090 -26.322 -9.282 1.00 0.00 N ATOM 0 H LYS A 41 -0.098 -20.421 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.297 -22.575 -6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.336 -22.207 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.403 -23.299 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.275 -23.852 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.066 -24.472 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.252 -25.152 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.661 -26.188 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.271 -25.283 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.266 -26.898 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.037 -27.303 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.921 -26.213 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.174 -25.678 -10.094 1.00 0.00 H new ATOM 677 N GLY A 42 1.236 -23.010 -9.251 1.00 0.00 N ATOM 678 CA GLY A 42 2.429 -23.574 -9.855 1.00 0.00 C ATOM 679 C GLY A 42 2.355 -23.505 -11.376 1.00 0.00 C ATOM 680 O GLY A 42 1.417 -24.050 -11.961 1.00 0.00 O ATOM 0 H GLY A 42 0.601 -22.574 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.309 -23.034 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.546 -24.611 -9.539 1.00 0.00 H new ATOM 684 N MET A 43 3.347 -22.840 -11.986 1.00 0.00 N ATOM 685 CA MET A 43 3.664 -22.789 -13.409 1.00 0.00 C ATOM 686 C MET A 43 2.459 -23.030 -14.327 1.00 0.00 C ATOM 687 O MET A 43 1.761 -22.083 -14.679 1.00 0.00 O ATOM 688 CB MET A 43 4.843 -23.731 -13.722 1.00 0.00 C ATOM 689 CG MET A 43 6.094 -23.444 -12.879 1.00 0.00 C ATOM 690 SD MET A 43 6.085 -24.136 -11.201 1.00 0.00 S ATOM 691 CE MET A 43 7.693 -23.568 -10.609 1.00 0.00 C ATOM 0 H MET A 43 4.001 -22.277 -11.443 1.00 0.00 H new ATOM 0 HA MET A 43 3.967 -21.766 -13.631 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.529 -24.761 -13.554 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.098 -23.643 -14.778 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.964 -23.833 -13.408 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.221 -22.364 -12.807 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.846 -23.910 -9.585 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.479 -23.971 -11.248 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.727 -22.479 -10.636 1.00 0.00 H new ATOM 701 N SER A 44 2.220 -24.282 -14.728 1.00 0.00 N ATOM 702 CA SER A 44 1.167 -24.703 -15.637 1.00 0.00 C ATOM 703 C SER A 44 -0.185 -24.057 -15.328 1.00 0.00 C ATOM 704 O SER A 44 -0.888 -23.625 -16.238 1.00 0.00 O ATOM 705 CB SER A 44 1.080 -26.230 -15.561 1.00 0.00 C ATOM 706 OG SER A 44 2.394 -26.757 -15.470 1.00 0.00 O ATOM 0 H SER A 44 2.789 -25.065 -14.407 1.00 0.00 H new ATOM 0 HA SER A 44 1.416 -24.375 -16.646 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.491 -26.532 -14.695 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.575 -26.624 -16.443 1.00 0.00 H new ATOM 0 HG SER A 44 2.352 -27.735 -15.419 1.00 0.00 H new ATOM 712 N THR A 45 -0.542 -23.968 -14.044 1.00 0.00 N ATOM 713 CA THR A 45 -1.801 -23.396 -13.585 1.00 0.00 C ATOM 714 C THR A 45 -2.001 -21.975 -14.123 1.00 0.00 C ATOM 715 O THR A 45 -3.130 -21.549 -14.363 1.00 0.00 O ATOM 716 CB THR A 45 -1.843 -23.414 -12.049 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.262 -24.608 -11.557 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.286 -23.327 -11.542 1.00 0.00 C ATOM 0 H THR A 45 0.051 -24.299 -13.283 1.00 0.00 H new ATOM 0 HA THR A 45 -2.620 -24.002 -13.972 1.00 0.00 H new ATOM 0 HB THR A 45 -1.281 -22.551 -11.691 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.291 -24.496 -11.490 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.290 -23.341 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.740 -22.401 -11.894 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.856 -24.177 -11.918 1.00 0.00 H new ATOM 726 N LEU A 46 -0.906 -21.241 -14.344 1.00 0.00 N ATOM 727 CA LEU A 46 -0.968 -19.909 -14.913 1.00 0.00 C ATOM 728 C LEU A 46 -1.654 -19.939 -16.267 1.00 0.00 C ATOM 729 O LEU A 46 -2.343 -18.990 -16.602 1.00 0.00 O ATOM 730 CB LEU A 46 0.428 -19.303 -15.027 1.00 0.00 C ATOM 731 CG LEU A 46 0.417 -17.867 -15.592 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.417 -17.063 -14.764 1.00 0.00 C ATOM 733 CD2 LEU A 46 0.792 -17.843 -17.080 1.00 0.00 C ATOM 0 H LEU A 46 0.039 -21.559 -14.132 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.556 -19.279 -14.245 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.897 -19.297 -14.043 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.041 -19.935 -15.669 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.583 -17.438 -15.524 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.446 -16.035 -15.126 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.112 -17.070 -13.718 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.407 -17.509 -14.856 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.774 -16.815 -17.443 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.792 -18.256 -17.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.077 -18.440 -17.645 1.00 0.00 H new ATOM 745 N ASP A 47 -1.494 -21.003 -17.055 1.00 0.00 N ATOM 746 CA ASP A 47 -2.171 -21.081 -18.341 1.00 0.00 C ATOM 747 C ASP A 47 -3.680 -20.899 -18.162 1.00 0.00 C ATOM 748 O ASP A 47 -4.312 -20.147 -18.900 1.00 0.00 O ATOM 749 CB ASP A 47 -1.847 -22.413 -19.015 1.00 0.00 C ATOM 750 CG ASP A 47 -2.443 -22.468 -20.417 1.00 0.00 C ATOM 751 OD1 ASP A 47 -1.992 -21.655 -21.251 1.00 0.00 O ATOM 752 OD2 ASP A 47 -3.334 -23.319 -20.627 1.00 0.00 O ATOM 0 H ASP A 47 -0.911 -21.808 -16.827 1.00 0.00 H new ATOM 0 HA ASP A 47 -1.816 -20.276 -18.985 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.766 -22.545 -19.069 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.239 -23.234 -18.415 1.00 0.00 H new ATOM 757 N GLU A 48 -4.232 -21.555 -17.138 1.00 0.00 N ATOM 758 CA GLU A 48 -5.625 -21.416 -16.762 1.00 0.00 C ATOM 759 C GLU A 48 -5.868 -20.006 -16.215 1.00 0.00 C ATOM 760 O GLU A 48 -6.688 -19.260 -16.745 1.00 0.00 O ATOM 761 CB GLU A 48 -5.992 -22.503 -15.736 1.00 0.00 C ATOM 762 CG GLU A 48 -5.685 -23.924 -16.235 1.00 0.00 C ATOM 763 CD GLU A 48 -6.380 -24.244 -17.555 1.00 0.00 C ATOM 764 OE1 GLU A 48 -7.627 -24.180 -17.568 1.00 0.00 O ATOM 765 OE2 GLU A 48 -5.649 -24.544 -18.524 1.00 0.00 O ATOM 0 H GLU A 48 -3.712 -22.202 -16.546 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.267 -21.551 -17.632 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.445 -22.322 -14.811 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.053 -22.428 -15.498 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.608 -24.037 -16.359 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.997 -24.646 -15.480 1.00 0.00 H new ATOM 772 N LEU A 49 -5.145 -19.639 -15.152 1.00 0.00 N ATOM 773 CA LEU A 49 -5.332 -18.376 -14.435 1.00 0.00 C ATOM 774 C LEU A 49 -5.347 -17.195 -15.415 1.00 0.00 C ATOM 775 O LEU A 49 -6.260 -16.370 -15.407 1.00 0.00 O ATOM 776 CB LEU A 49 -4.222 -18.237 -13.376 1.00 0.00 C ATOM 777 CG LEU A 49 -4.578 -17.358 -12.165 1.00 0.00 C ATOM 778 CD1 LEU A 49 -3.423 -17.418 -11.158 1.00 0.00 C ATOM 779 CD2 LEU A 49 -4.836 -15.894 -12.539 1.00 0.00 C ATOM 0 H LEU A 49 -4.403 -20.220 -14.761 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.297 -18.373 -13.928 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.958 -19.232 -13.017 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.334 -17.825 -13.855 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.503 -17.748 -11.741 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.662 -16.799 -10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.274 -18.449 -10.836 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.511 -17.049 -11.628 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.082 -15.327 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.942 -15.473 -13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.667 -15.839 -13.242 1.00 0.00 H new ATOM 791 N PHE A 50 -4.343 -17.143 -16.289 1.00 0.00 N ATOM 792 CA PHE A 50 -4.142 -16.112 -17.295 1.00 0.00 C ATOM 793 C PHE A 50 -5.406 -15.901 -18.124 1.00 0.00 C ATOM 794 O PHE A 50 -5.743 -14.764 -18.440 1.00 0.00 O ATOM 795 CB PHE A 50 -2.957 -16.497 -18.191 1.00 0.00 C ATOM 796 CG PHE A 50 -2.363 -15.365 -19.001 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.986 -14.907 -20.176 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.147 -14.790 -18.589 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.382 -13.890 -20.936 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.585 -13.729 -19.309 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.161 -13.330 -20.519 1.00 0.00 C ATOM 0 H PHE A 50 -3.614 -17.856 -16.312 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.919 -15.169 -16.795 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.173 -16.924 -17.565 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.280 -17.281 -18.876 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.925 -15.335 -20.493 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.644 -15.169 -17.712 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.856 -13.539 -21.841 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.290 -13.221 -18.931 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.668 -12.591 -21.134 1.00 0.00 H new ATOM 811 N GLU A 51 -6.113 -16.980 -18.472 1.00 0.00 N ATOM 812 CA GLU A 51 -7.333 -16.888 -19.259 1.00 0.00 C ATOM 813 C GLU A 51 -8.395 -16.069 -18.519 1.00 0.00 C ATOM 814 O GLU A 51 -9.162 -15.339 -19.141 1.00 0.00 O ATOM 815 CB GLU A 51 -7.832 -18.303 -19.597 1.00 0.00 C ATOM 816 CG GLU A 51 -8.943 -18.315 -20.659 1.00 0.00 C ATOM 817 CD GLU A 51 -8.495 -17.759 -22.010 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.328 -18.017 -22.379 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.332 -17.096 -22.657 1.00 0.00 O ATOM 0 H GLU A 51 -5.853 -17.932 -18.215 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.125 -16.367 -20.193 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.993 -18.902 -19.951 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.202 -18.778 -18.688 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.296 -19.337 -20.794 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.789 -17.731 -20.296 1.00 0.00 H new ATOM 826 N GLU A 52 -8.434 -16.187 -17.190 1.00 0.00 N ATOM 827 CA GLU A 52 -9.387 -15.470 -16.358 1.00 0.00 C ATOM 828 C GLU A 52 -8.897 -14.038 -16.146 1.00 0.00 C ATOM 829 O GLU A 52 -9.664 -13.082 -16.235 1.00 0.00 O ATOM 830 CB GLU A 52 -9.569 -16.203 -15.020 1.00 0.00 C ATOM 831 CG GLU A 52 -9.811 -17.711 -15.188 1.00 0.00 C ATOM 832 CD GLU A 52 -10.971 -18.012 -16.133 1.00 0.00 C ATOM 833 OE1 GLU A 52 -12.114 -17.691 -15.742 1.00 0.00 O ATOM 834 OE2 GLU A 52 -10.694 -18.554 -17.226 1.00 0.00 O ATOM 0 H GLU A 52 -7.799 -16.787 -16.663 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.357 -15.432 -16.853 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.682 -16.050 -14.405 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.410 -15.764 -14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.904 -18.182 -15.568 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.015 -18.154 -14.213 1.00 0.00 H new ATOM 841 N LEU A 53 -7.603 -13.904 -15.845 1.00 0.00 N ATOM 842 CA LEU A 53 -6.940 -12.636 -15.592 1.00 0.00 C ATOM 843 C LEU A 53 -7.110 -11.707 -16.795 1.00 0.00 C ATOM 844 O LEU A 53 -7.592 -10.580 -16.670 1.00 0.00 O ATOM 845 CB LEU A 53 -5.457 -12.921 -15.310 1.00 0.00 C ATOM 846 CG LEU A 53 -4.721 -11.824 -14.529 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.264 -12.277 -14.359 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.780 -10.437 -15.174 1.00 0.00 C ATOM 0 H LEU A 53 -6.974 -14.704 -15.770 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.381 -12.136 -14.730 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.382 -13.855 -14.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.945 -13.075 -16.260 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.225 -11.703 -13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.709 -11.519 -13.806 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.237 -13.218 -13.810 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.809 -12.416 -15.340 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.234 -9.725 -14.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.328 -10.477 -16.165 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.819 -10.120 -15.261 1.00 0.00 H new ATOM 860 N ASP A 54 -6.682 -12.174 -17.970 1.00 0.00 N ATOM 861 CA ASP A 54 -6.622 -11.376 -19.180 1.00 0.00 C ATOM 862 C ASP A 54 -8.011 -11.284 -19.811 1.00 0.00 C ATOM 863 O ASP A 54 -8.246 -11.762 -20.919 1.00 0.00 O ATOM 864 CB ASP A 54 -5.606 -11.986 -20.151 1.00 0.00 C ATOM 865 CG ASP A 54 -5.476 -11.234 -21.477 1.00 0.00 C ATOM 866 OD1 ASP A 54 -6.020 -10.114 -21.596 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.829 -11.809 -22.379 1.00 0.00 O ATOM 0 H ASP A 54 -6.364 -13.134 -18.101 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.295 -10.365 -18.938 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.630 -12.017 -19.666 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.892 -13.017 -20.358 1.00 0.00 H new ATOM 872 N LYS A 55 -8.929 -10.628 -19.108 1.00 0.00 N ATOM 873 CA LYS A 55 -10.285 -10.376 -19.572 1.00 0.00 C ATOM 874 C LYS A 55 -10.305 -9.666 -20.934 1.00 0.00 C ATOM 875 O LYS A 55 -11.243 -9.847 -21.708 1.00 0.00 O ATOM 876 CB LYS A 55 -11.079 -9.613 -18.503 1.00 0.00 C ATOM 877 CG LYS A 55 -10.443 -8.269 -18.116 1.00 0.00 C ATOM 878 CD LYS A 55 -11.190 -7.581 -16.963 1.00 0.00 C ATOM 879 CE LYS A 55 -12.668 -7.292 -17.261 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.842 -6.519 -18.503 1.00 0.00 N ATOM 0 H LYS A 55 -8.745 -10.249 -18.179 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.776 -11.337 -19.729 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.090 -9.436 -18.869 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.166 -10.235 -17.612 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.404 -8.431 -17.828 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.434 -7.610 -18.984 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.125 -8.210 -16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.687 -6.643 -16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.212 -8.233 -17.341 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.104 -6.741 -16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.848 -6.288 -18.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.290 -5.640 -18.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.511 -7.083 -19.312 1.00 0.00 H new ATOM 894 N ALA A 56 -9.281 -8.860 -21.237 1.00 0.00 N ATOM 895 CA ALA A 56 -9.150 -8.201 -22.530 1.00 0.00 C ATOM 896 C ALA A 56 -8.898 -9.201 -23.666 1.00 0.00 C ATOM 897 O ALA A 56 -9.195 -8.905 -24.820 1.00 0.00 O ATOM 898 CB ALA A 56 -8.029 -7.159 -22.464 1.00 0.00 C ATOM 0 H ALA A 56 -8.522 -8.650 -20.588 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.094 -7.704 -22.753 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.932 -6.667 -23.432 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.266 -6.417 -21.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.090 -7.651 -22.211 1.00 0.00 H new ATOM 904 N GLY A 57 -8.336 -10.373 -23.357 1.00 0.00 N ATOM 905 CA GLY A 57 -8.015 -11.393 -24.343 1.00 0.00 C ATOM 906 C GLY A 57 -6.876 -10.958 -25.266 1.00 0.00 C ATOM 907 O GLY A 57 -6.827 -11.362 -26.424 1.00 0.00 O ATOM 0 H GLY A 57 -8.091 -10.637 -22.403 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.737 -12.315 -23.833 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.901 -11.613 -24.939 1.00 0.00 H new ATOM 911 N ASP A 58 -5.934 -10.161 -24.750 1.00 0.00 N ATOM 912 CA ASP A 58 -4.790 -9.686 -25.528 1.00 0.00 C ATOM 913 C ASP A 58 -3.732 -10.779 -25.705 1.00 0.00 C ATOM 914 O ASP A 58 -2.848 -10.646 -26.547 1.00 0.00 O ATOM 915 CB ASP A 58 -4.119 -8.495 -24.818 1.00 0.00 C ATOM 916 CG ASP A 58 -4.870 -7.171 -24.907 1.00 0.00 C ATOM 917 OD1 ASP A 58 -6.094 -7.206 -25.156 1.00 0.00 O ATOM 918 OD2 ASP A 58 -4.193 -6.135 -24.714 1.00 0.00 O ATOM 0 H ASP A 58 -5.945 -9.830 -23.785 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.173 -9.391 -26.505 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.988 -8.748 -23.766 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.123 -8.357 -25.239 1.00 0.00 H new ATOM 923 N GLY A 59 -3.772 -11.828 -24.878 1.00 0.00 N ATOM 924 CA GLY A 59 -2.663 -12.763 -24.734 1.00 0.00 C ATOM 925 C GLY A 59 -1.581 -12.097 -23.869 1.00 0.00 C ATOM 926 O GLY A 59 -0.418 -12.510 -23.868 1.00 0.00 O ATOM 0 H GLY A 59 -4.577 -12.049 -24.291 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.004 -13.688 -24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.259 -13.027 -25.711 1.00 0.00 H new ATOM 930 N GLU A 60 -1.979 -11.045 -23.138 1.00 0.00 N ATOM 931 CA GLU A 60 -1.134 -10.121 -22.414 1.00 0.00 C ATOM 932 C GLU A 60 -1.986 -9.465 -21.325 1.00 0.00 C ATOM 933 O GLU A 60 -3.201 -9.388 -21.468 1.00 0.00 O ATOM 934 CB GLU A 60 -0.557 -9.063 -23.356 1.00 0.00 C ATOM 935 CG GLU A 60 0.101 -9.592 -24.640 1.00 0.00 C ATOM 936 CD GLU A 60 0.763 -8.486 -25.455 1.00 0.00 C ATOM 937 OE1 GLU A 60 0.199 -7.369 -25.471 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.819 -8.781 -26.055 1.00 0.00 O ATOM 0 H GLU A 60 -2.967 -10.814 -23.039 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.293 -10.651 -21.968 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.358 -8.379 -23.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.182 -8.480 -22.806 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.847 -10.343 -24.379 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.652 -10.089 -25.252 1.00 0.00 H new ATOM 945 N VAL A 61 -1.353 -9.014 -20.245 1.00 0.00 N ATOM 946 CA VAL A 61 -1.987 -8.496 -19.047 1.00 0.00 C ATOM 947 C VAL A 61 -1.566 -7.040 -18.882 1.00 0.00 C ATOM 948 O VAL A 61 -0.389 -6.767 -18.638 1.00 0.00 O ATOM 949 CB VAL A 61 -1.550 -9.356 -17.846 1.00 0.00 C ATOM 950 CG1 VAL A 61 -2.069 -8.779 -16.526 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.068 -10.787 -18.016 1.00 0.00 C ATOM 0 H VAL A 61 -0.335 -9.001 -20.184 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.074 -8.539 -19.115 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.460 -9.357 -17.814 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.742 -9.410 -15.700 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.676 -7.771 -16.390 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.158 -8.744 -16.547 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.756 -11.391 -17.164 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.156 -10.776 -18.073 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.661 -11.215 -18.932 1.00 0.00 H new ATOM 961 N SER A 62 -2.517 -6.116 -19.025 1.00 0.00 N ATOM 962 CA SER A 62 -2.287 -4.693 -18.804 1.00 0.00 C ATOM 963 C SER A 62 -2.011 -4.416 -17.328 1.00 0.00 C ATOM 964 O SER A 62 -2.371 -5.219 -16.468 1.00 0.00 O ATOM 965 CB SER A 62 -3.522 -3.909 -19.258 1.00 0.00 C ATOM 966 OG SER A 62 -4.661 -4.359 -18.546 1.00 0.00 O ATOM 0 H SER A 62 -3.474 -6.338 -19.299 1.00 0.00 H new ATOM 0 HA SER A 62 -1.417 -4.379 -19.380 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.371 -2.843 -19.086 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.675 -4.041 -20.329 1.00 0.00 H new ATOM 0 HG SER A 62 -5.004 -5.178 -18.961 1.00 0.00 H new ATOM 972 N PHE A 63 -1.437 -3.248 -17.014 1.00 0.00 N ATOM 973 CA PHE A 63 -1.335 -2.791 -15.633 1.00 0.00 C ATOM 974 C PHE A 63 -2.715 -2.785 -14.967 1.00 0.00 C ATOM 975 O PHE A 63 -2.863 -3.102 -13.789 1.00 0.00 O ATOM 976 CB PHE A 63 -0.695 -1.396 -15.583 1.00 0.00 C ATOM 977 CG PHE A 63 -0.435 -0.880 -14.180 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.201 -1.697 -13.224 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.879 0.403 -13.812 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.270 -1.286 -11.881 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.753 0.839 -12.481 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.214 -0.021 -11.508 1.00 0.00 C ATOM 0 H PHE A 63 -1.038 -2.607 -17.700 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.697 -3.481 -15.080 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.248 -1.422 -16.129 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.345 -0.692 -16.102 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.636 -2.639 -13.523 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.318 1.055 -14.553 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.695 -1.943 -11.136 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.070 1.834 -12.206 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.172 0.291 -10.475 1.00 0.00 H new ATOM 992 N GLU A 64 -3.748 -2.415 -15.725 1.00 0.00 N ATOM 993 CA GLU A 64 -5.127 -2.403 -15.267 1.00 0.00 C ATOM 994 C GLU A 64 -5.548 -3.809 -14.829 1.00 0.00 C ATOM 995 O GLU A 64 -5.949 -4.006 -13.683 1.00 0.00 O ATOM 996 CB GLU A 64 -6.038 -1.835 -16.366 1.00 0.00 C ATOM 997 CG GLU A 64 -5.864 -0.316 -16.557 1.00 0.00 C ATOM 998 CD GLU A 64 -4.444 0.104 -16.937 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.867 -0.572 -17.819 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.942 1.059 -16.308 1.00 0.00 O ATOM 0 H GLU A 64 -3.641 -2.110 -16.693 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.222 -1.753 -14.397 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.825 -2.342 -17.307 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.077 -2.049 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.552 0.024 -17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.147 0.191 -15.634 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.436 -4.795 -15.722 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.795 -6.169 -15.391 1.00 0.00 C ATOM 1009 C GLU A 65 -4.938 -6.669 -14.224 1.00 0.00 C ATOM 1010 O GLU A 65 -5.431 -7.304 -13.291 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.617 -7.038 -16.638 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.680 -6.684 -17.684 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.338 -7.268 -19.047 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -5.264 -6.877 -19.558 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -7.155 -8.072 -19.548 1.00 0.00 O ATOM 0 H GLU A 65 -5.100 -4.665 -16.676 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.837 -6.223 -15.075 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.621 -6.889 -17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.696 -8.092 -16.371 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.650 -7.059 -17.359 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.768 -5.600 -17.763 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.648 -6.344 -14.261 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.724 -6.692 -13.199 1.00 0.00 C ATOM 1024 C PHE A 66 -3.231 -6.180 -11.854 1.00 0.00 C ATOM 1025 O PHE A 66 -3.273 -6.935 -10.892 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.328 -6.151 -13.502 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.266 -6.710 -12.583 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.239 -8.004 -12.811 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.247 -5.930 -11.530 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.248 -8.520 -11.982 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.259 -6.448 -10.704 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.747 -7.746 -10.922 1.00 0.00 C ATOM 0 H PHE A 66 -3.219 -5.831 -15.032 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.659 -7.779 -13.141 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.069 -6.387 -14.534 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.339 -5.064 -13.417 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.150 -8.600 -13.624 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.136 -4.935 -11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.640 -9.511 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.661 -5.848 -9.902 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.509 -8.151 -10.272 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.655 -4.917 -11.771 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.192 -4.365 -10.533 1.00 0.00 C ATOM 1044 C GLN A 67 -5.440 -5.113 -10.053 1.00 0.00 C ATOM 1045 O GLN A 67 -5.685 -5.163 -8.848 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.478 -2.870 -10.694 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.179 -2.056 -10.698 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.429 -0.668 -11.269 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.461 0.324 -10.547 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.620 -0.604 -12.580 1.00 0.00 N ATOM 0 H GLN A 67 -3.635 -4.259 -12.550 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.432 -4.497 -9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.021 -2.699 -11.624 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.121 -2.530 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.789 -1.975 -9.683 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.422 -2.570 -11.290 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.585 -1.454 -13.143 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.802 0.295 -13.026 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.230 -5.717 -10.948 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.280 -6.620 -10.490 1.00 0.00 C ATOM 1061 C VAL A 68 -6.604 -7.812 -9.803 1.00 0.00 C ATOM 1062 O VAL A 68 -6.921 -8.139 -8.660 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.216 -7.051 -11.636 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.357 -7.925 -11.097 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.828 -5.830 -12.337 1.00 0.00 C ATOM 0 H VAL A 68 -6.164 -5.601 -11.959 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.927 -6.108 -9.778 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.618 -7.617 -12.350 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.009 -8.221 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.942 -8.815 -10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.932 -7.360 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.484 -6.163 -13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.403 -5.248 -11.617 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.032 -5.211 -12.751 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.631 -8.433 -10.477 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.901 -9.573 -9.928 1.00 0.00 C ATOM 1077 C LEU A 69 -4.268 -9.236 -8.568 1.00 0.00 C ATOM 1078 O LEU A 69 -4.318 -10.060 -7.656 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.899 -10.102 -10.969 1.00 0.00 C ATOM 1080 CG LEU A 69 -3.303 -11.500 -10.711 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -2.102 -11.483 -9.766 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -4.334 -12.541 -10.262 1.00 0.00 C ATOM 0 H LEU A 69 -5.331 -8.159 -11.413 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.598 -10.385 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.394 -10.117 -11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.077 -9.390 -11.042 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.943 -11.814 -11.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.733 -12.499 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.312 -10.864 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.403 -11.073 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.838 -13.498 -10.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.801 -12.213 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.097 -12.653 -11.032 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.729 -8.020 -8.399 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.182 -7.523 -7.135 1.00 0.00 C ATOM 1096 C VAL A 70 -4.105 -7.841 -5.949 1.00 0.00 C ATOM 1097 O VAL A 70 -3.625 -8.205 -4.876 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.792 -6.036 -7.215 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.417 -5.485 -5.834 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.570 -5.847 -8.128 1.00 0.00 C ATOM 0 H VAL A 70 -3.661 -7.341 -9.157 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.253 -8.063 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.657 -5.504 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.146 -4.433 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.267 -5.585 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.570 -6.045 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.309 -4.790 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.727 -6.412 -7.730 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.806 -6.205 -9.130 1.00 0.00 H new ATOM 1110 N LYS A 71 -5.424 -7.739 -6.138 1.00 0.00 N ATOM 1111 CA LYS A 71 -6.382 -8.009 -5.072 1.00 0.00 C ATOM 1112 C LYS A 71 -6.252 -9.448 -4.552 1.00 0.00 C ATOM 1113 O LYS A 71 -6.416 -9.687 -3.359 1.00 0.00 O ATOM 1114 CB LYS A 71 -7.810 -7.704 -5.550 1.00 0.00 C ATOM 1115 CG LYS A 71 -7.976 -6.303 -6.164 1.00 0.00 C ATOM 1116 CD LYS A 71 -7.692 -5.174 -5.164 1.00 0.00 C ATOM 1117 CE LYS A 71 -7.833 -3.799 -5.829 1.00 0.00 C ATOM 1118 NZ LYS A 71 -6.725 -3.526 -6.764 1.00 0.00 N ATOM 0 H LYS A 71 -5.850 -7.470 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.158 -7.349 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.103 -8.451 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.494 -7.804 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.304 -6.204 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.992 -6.197 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.381 -5.247 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.685 -5.285 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.781 -3.750 -6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.860 -3.025 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.865 -2.595 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.824 -3.531 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.704 -4.259 -7.501 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.938 -10.403 -5.434 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.639 -11.776 -5.051 1.00 0.00 C ATOM 1134 C LYS A 72 -4.200 -11.852 -4.527 1.00 0.00 C ATOM 1135 O LYS A 72 -3.940 -12.458 -3.489 1.00 0.00 O ATOM 1136 CB LYS A 72 -5.838 -12.693 -6.266 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.813 -14.180 -5.884 1.00 0.00 C ATOM 1138 CD LYS A 72 -5.668 -15.087 -7.115 1.00 0.00 C ATOM 1139 CE LYS A 72 -6.826 -14.921 -8.107 1.00 0.00 C ATOM 1140 NZ LYS A 72 -6.719 -15.882 -9.218 1.00 0.00 N ATOM 0 H LYS A 72 -5.885 -10.238 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.311 -12.105 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.790 -12.459 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.056 -12.495 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.986 -14.364 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.730 -14.433 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.728 -14.863 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.617 -16.127 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.775 -15.064 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.828 -13.905 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.456 -15.680 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.782 -15.797 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.844 -16.848 -8.854 1.00 0.00 H new ATOM 1154 N ILE A 73 -3.265 -11.245 -5.266 1.00 0.00 N ATOM 1155 CA ILE A 73 -1.831 -11.248 -4.972 1.00 0.00 C ATOM 1156 C ILE A 73 -1.571 -10.869 -3.512 1.00 0.00 C ATOM 1157 O ILE A 73 -0.690 -11.439 -2.872 1.00 0.00 O ATOM 1158 CB ILE A 73 -1.085 -10.345 -5.981 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -0.118 -11.136 -6.867 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -0.357 -9.142 -5.350 1.00 0.00 C ATOM 1161 CD1 ILE A 73 0.416 -10.251 -8.004 1.00 0.00 C ATOM 0 H ILE A 73 -3.494 -10.722 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.435 -12.256 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.882 -9.935 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.713 -11.508 -6.267 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.626 -12.006 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.138 -8.565 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.079 -8.509 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.386 -9.499 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.102 -10.829 -8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.417 -9.900 -8.614 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.942 -9.395 -7.582 1.00 0.00 H new ATOM 1173 N SER A 74 -2.331 -9.899 -2.989 1.00 0.00 N ATOM 1174 CA SER A 74 -2.301 -9.441 -1.606 1.00 0.00 C ATOM 1175 C SER A 74 -1.041 -8.626 -1.282 1.00 0.00 C ATOM 1176 O SER A 74 -1.145 -7.516 -0.767 1.00 0.00 O ATOM 1177 CB SER A 74 -2.518 -10.601 -0.624 1.00 0.00 C ATOM 1178 OG SER A 74 -3.703 -11.307 -0.945 1.00 0.00 O ATOM 0 H SER A 74 -3.015 -9.392 -3.551 1.00 0.00 H new ATOM 0 HA SER A 74 -3.139 -8.755 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.664 -11.278 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.581 -10.217 0.394 1.00 0.00 H new ATOM 0 HG SER A 74 -3.610 -11.716 -1.831 1.00 0.00 H new ATOM 1184 N GLN A 75 0.148 -9.164 -1.574 1.00 0.00 N ATOM 1185 CA GLN A 75 1.420 -8.464 -1.432 1.00 0.00 C ATOM 1186 C GLN A 75 1.359 -7.106 -2.145 1.00 0.00 C ATOM 1187 O GLN A 75 1.816 -6.112 -1.539 1.00 0.00 O ATOM 1188 CB GLN A 75 2.541 -9.343 -2.012 1.00 0.00 C ATOM 1189 CG GLN A 75 3.943 -8.826 -1.651 1.00 0.00 C ATOM 1190 CD GLN A 75 5.030 -9.470 -2.510 1.00 0.00 C ATOM 1191 OE1 GLN A 75 5.782 -8.771 -3.180 1.00 0.00 O ATOM 1192 NE2 GLN A 75 5.103 -10.798 -2.529 1.00 0.00 N ATOM 1193 OXT GLN A 75 0.874 -7.096 -3.298 1.00 0.00 O ATOM 0 H GLN A 75 0.250 -10.117 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 75 1.625 -8.277 -0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.427 -10.362 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.441 -9.384 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.974 -7.744 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.144 -9.029 -0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.463 -11.352 -1.960 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.799 -11.262 -3.112 1.00 0.00 H new TER 1202 GLN A 75