USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= 0.979 K(o=3,f=1.4) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.06 K(o=3,f=1.4) USER MOD Set 1.3: A 55 LYS NZ :NH3+ 150:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -121:sc= 0.103 (180deg=-0.31) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0519) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= -0.006 (180deg=-0.106) USER MOD Single : A 12 LYS NZ :NH3+ 177:sc= 0.0477 (180deg=0.0452) USER MOD Single : A 13 TYR OH : rot 7:sc= 1.13 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= 0.527 (180deg=0) USER MOD Single : A 24 SER OG : rot -169:sc= 1.94 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0192) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.243 K(o=-0.24,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc= -0.168 USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= -0.117 (180deg=-0.123) USER MOD Single : A 44 SER OG : rot 28:sc= 1.09 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 56 ASN : amide:sc= 0.416 K(o=0.42,f=-0.12) USER MOD Single : A 62 SER OG : rot -84:sc= 0.872 USER MOD Single : A 67 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.3) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0628) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 0.761 (180deg=-0.0863) USER MOD Single : A 74 SER OG : rot 36:sc= 1.08 USER MOD Single : A 75 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.883 -3.162 -2.920 1.00 0.00 N ATOM 2 CA LYS A 1 -17.471 -2.847 -2.803 1.00 0.00 C ATOM 3 C LYS A 1 -17.078 -1.938 -3.971 1.00 0.00 C ATOM 4 O LYS A 1 -17.796 -1.891 -4.968 1.00 0.00 O ATOM 5 CB LYS A 1 -16.658 -4.149 -2.783 1.00 0.00 C ATOM 6 CG LYS A 1 -16.909 -4.914 -1.478 1.00 0.00 C ATOM 7 CD LYS A 1 -16.076 -6.203 -1.442 1.00 0.00 C ATOM 8 CE LYS A 1 -16.215 -6.930 -0.099 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.600 -7.361 0.157 1.00 0.00 N ATOM 0 H1 LYS A 1 -19.382 -2.841 -2.066 1.00 0.00 H new ATOM 0 H2 LYS A 1 -19.278 -2.681 -3.753 1.00 0.00 H new ATOM 0 H3 LYS A 1 -19.002 -4.190 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.262 -2.319 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.933 -4.770 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.596 -3.924 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.653 -4.285 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.968 -5.156 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.393 -6.864 -2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.027 -5.964 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -15.557 -7.799 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.886 -6.271 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.633 -7.921 1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -18.211 -6.525 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.935 -7.942 -0.638 1.00 0.00 H new ATOM 25 N SER A 2 -15.963 -1.208 -3.862 1.00 0.00 N ATOM 26 CA SER A 2 -15.505 -0.298 -4.907 1.00 0.00 C ATOM 27 C SER A 2 -14.075 0.176 -4.607 1.00 0.00 C ATOM 28 O SER A 2 -13.666 0.139 -3.445 1.00 0.00 O ATOM 29 CB SER A 2 -16.463 0.900 -4.999 1.00 0.00 C ATOM 30 OG SER A 2 -16.547 1.556 -3.750 1.00 0.00 O ATOM 0 H SER A 2 -15.355 -1.234 -3.044 1.00 0.00 H new ATOM 0 HA SER A 2 -15.498 -0.820 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.113 1.597 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.452 0.561 -5.307 1.00 0.00 H new ATOM 0 HG SER A 2 -17.159 2.318 -3.821 1.00 0.00 H new ATOM 36 N PRO A 3 -13.308 0.633 -5.617 1.00 0.00 N ATOM 37 CA PRO A 3 -11.952 1.137 -5.426 1.00 0.00 C ATOM 38 C PRO A 3 -11.853 2.166 -4.295 1.00 0.00 C ATOM 39 O PRO A 3 -10.855 2.210 -3.582 1.00 0.00 O ATOM 40 CB PRO A 3 -11.539 1.742 -6.770 1.00 0.00 C ATOM 41 CG PRO A 3 -12.356 0.928 -7.771 1.00 0.00 C ATOM 42 CD PRO A 3 -13.671 0.707 -7.026 1.00 0.00 C ATOM 0 HA PRO A 3 -11.286 0.329 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.774 2.805 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.468 1.643 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.506 1.468 -8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.868 -0.014 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.369 1.524 -7.210 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.160 -0.210 -7.355 1.00 0.00 H new ATOM 50 N GLU A 4 -12.887 2.991 -4.116 1.00 0.00 N ATOM 51 CA GLU A 4 -12.985 4.006 -3.094 1.00 0.00 C ATOM 52 C GLU A 4 -12.626 3.460 -1.705 1.00 0.00 C ATOM 53 O GLU A 4 -12.059 4.164 -0.874 1.00 0.00 O ATOM 54 CB GLU A 4 -14.419 4.549 -3.126 1.00 0.00 C ATOM 55 CG GLU A 4 -15.010 4.838 -4.519 1.00 0.00 C ATOM 56 CD GLU A 4 -14.026 5.535 -5.454 1.00 0.00 C ATOM 57 OE1 GLU A 4 -13.713 6.713 -5.176 1.00 0.00 O ATOM 58 OE2 GLU A 4 -13.603 4.866 -6.422 1.00 0.00 O ATOM 0 H GLU A 4 -13.712 2.958 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.269 4.803 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.067 3.832 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.449 5.470 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.331 3.900 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.899 5.459 -4.408 1.00 0.00 H new ATOM 65 N GLU A 5 -12.938 2.191 -1.441 1.00 0.00 N ATOM 66 CA GLU A 5 -12.620 1.576 -0.161 1.00 0.00 C ATOM 67 C GLU A 5 -11.112 1.560 0.045 1.00 0.00 C ATOM 68 O GLU A 5 -10.621 1.789 1.144 1.00 0.00 O ATOM 69 CB GLU A 5 -13.124 0.133 -0.130 1.00 0.00 C ATOM 70 CG GLU A 5 -14.630 0.095 -0.359 1.00 0.00 C ATOM 71 CD GLU A 5 -15.127 -1.342 -0.405 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.795 -2.006 -1.410 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.826 -1.746 0.547 1.00 0.00 O ATOM 0 H GLU A 5 -13.411 1.572 -2.100 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.102 2.155 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.618 -0.453 -0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.883 -0.323 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.139 0.636 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.874 0.600 -1.293 1.00 0.00 H new ATOM 80 N LEU A 6 -10.376 1.295 -1.031 1.00 0.00 N ATOM 81 CA LEU A 6 -8.926 1.173 -0.979 1.00 0.00 C ATOM 82 C LEU A 6 -8.315 2.518 -0.607 1.00 0.00 C ATOM 83 O LEU A 6 -7.295 2.572 0.071 1.00 0.00 O ATOM 84 CB LEU A 6 -8.358 0.580 -2.274 1.00 0.00 C ATOM 85 CG LEU A 6 -8.806 -0.881 -2.487 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.434 -1.343 -3.897 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.174 -1.842 -1.475 1.00 0.00 C ATOM 0 H LEU A 6 -10.770 1.159 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.651 0.462 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.680 1.185 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.269 0.625 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.887 -0.901 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.754 -2.375 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.928 -0.706 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.354 -1.277 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.523 -2.856 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.089 -1.807 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.460 -1.547 -0.465 1.00 0.00 H new ATOM 99 N LYS A 7 -8.951 3.610 -1.023 1.00 0.00 N ATOM 100 CA LYS A 7 -8.541 4.955 -0.656 1.00 0.00 C ATOM 101 C LYS A 7 -8.691 5.120 0.858 1.00 0.00 C ATOM 102 O LYS A 7 -7.775 5.587 1.537 1.00 0.00 O ATOM 103 CB LYS A 7 -9.407 5.952 -1.437 1.00 0.00 C ATOM 104 CG LYS A 7 -9.056 7.435 -1.230 1.00 0.00 C ATOM 105 CD LYS A 7 -7.623 7.805 -1.631 1.00 0.00 C ATOM 106 CE LYS A 7 -7.320 9.290 -1.401 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.146 10.162 -2.254 1.00 0.00 N ATOM 0 H LYS A 7 -9.771 3.582 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.497 5.141 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.327 5.722 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.449 5.800 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.751 8.045 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.204 7.689 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.920 7.200 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.468 7.563 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.494 9.537 -0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.266 9.480 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.817 11.145 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.065 9.856 -3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.140 10.102 -1.953 1.00 0.00 H new ATOM 121 N GLY A 8 -9.849 4.715 1.386 1.00 0.00 N ATOM 122 CA GLY A 8 -10.144 4.813 2.805 1.00 0.00 C ATOM 123 C GLY A 8 -9.123 4.002 3.596 1.00 0.00 C ATOM 124 O GLY A 8 -8.527 4.490 4.547 1.00 0.00 O ATOM 0 H GLY A 8 -10.605 4.310 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.119 5.856 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.150 4.444 3.004 1.00 0.00 H new ATOM 128 N ILE A 9 -8.923 2.752 3.185 1.00 0.00 N ATOM 129 CA ILE A 9 -7.993 1.815 3.793 1.00 0.00 C ATOM 130 C ILE A 9 -6.569 2.378 3.745 1.00 0.00 C ATOM 131 O ILE A 9 -5.904 2.449 4.777 1.00 0.00 O ATOM 132 CB ILE A 9 -8.154 0.463 3.086 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.554 -0.132 3.345 1.00 0.00 C ATOM 134 CG2 ILE A 9 -7.035 -0.521 3.438 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.771 -0.714 4.746 1.00 0.00 C ATOM 0 H ILE A 9 -9.424 2.354 2.391 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.208 1.663 4.851 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.065 0.646 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.298 0.646 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.738 -0.917 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.198 -1.461 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.074 -0.100 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.035 -0.703 4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.785 -1.106 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.057 -1.519 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.626 0.068 5.491 1.00 0.00 H new ATOM 147 N PHE A 10 -6.094 2.790 2.566 1.00 0.00 N ATOM 148 CA PHE A 10 -4.782 3.401 2.407 1.00 0.00 C ATOM 149 C PHE A 10 -4.618 4.495 3.462 1.00 0.00 C ATOM 150 O PHE A 10 -3.646 4.487 4.208 1.00 0.00 O ATOM 151 CB PHE A 10 -4.653 3.999 0.998 1.00 0.00 C ATOM 152 CG PHE A 10 -3.431 4.877 0.804 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.463 6.199 1.285 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.192 4.303 0.464 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.298 6.758 1.826 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.010 5.007 0.744 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.062 6.160 1.544 1.00 0.00 C ATOM 0 H PHE A 10 -6.616 2.706 1.694 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.003 2.649 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.621 3.186 0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.546 4.585 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.375 6.776 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.151 3.332 -0.007 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.351 7.637 2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.066 4.664 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.152 6.585 1.941 1.00 0.00 H new ATOM 167 N GLU A 11 -5.574 5.428 3.521 1.00 0.00 N ATOM 168 CA GLU A 11 -5.534 6.529 4.472 1.00 0.00 C ATOM 169 C GLU A 11 -5.501 6.000 5.911 1.00 0.00 C ATOM 170 O GLU A 11 -4.685 6.440 6.717 1.00 0.00 O ATOM 171 CB GLU A 11 -6.725 7.460 4.217 1.00 0.00 C ATOM 172 CG GLU A 11 -6.592 8.772 5.001 1.00 0.00 C ATOM 173 CD GLU A 11 -7.747 9.714 4.684 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.710 10.305 3.582 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.653 9.814 5.539 1.00 0.00 O ATOM 0 H GLU A 11 -6.391 5.436 2.911 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.620 7.106 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.796 7.678 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.649 6.957 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.572 8.561 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.646 9.254 4.754 1.00 0.00 H new ATOM 182 N LYS A 12 -6.388 5.055 6.228 1.00 0.00 N ATOM 183 CA LYS A 12 -6.501 4.441 7.543 1.00 0.00 C ATOM 184 C LYS A 12 -5.134 3.945 8.007 1.00 0.00 C ATOM 185 O LYS A 12 -4.704 4.289 9.104 1.00 0.00 O ATOM 186 CB LYS A 12 -7.537 3.304 7.509 1.00 0.00 C ATOM 187 CG LYS A 12 -7.852 2.749 8.905 1.00 0.00 C ATOM 188 CD LYS A 12 -8.828 1.563 8.847 1.00 0.00 C ATOM 189 CE LYS A 12 -8.168 0.301 8.271 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.080 -0.856 8.299 1.00 0.00 N ATOM 0 H LYS A 12 -7.063 4.689 5.556 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.848 5.184 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.456 3.669 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.165 2.498 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.927 2.434 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.279 3.540 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.201 1.352 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.690 1.832 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.854 0.491 7.245 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.269 0.069 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.616 -1.675 7.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.320 -1.085 9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.949 -0.626 7.776 1.00 0.00 H new ATOM 204 N TYR A 13 -4.443 3.141 7.191 1.00 0.00 N ATOM 205 CA TYR A 13 -3.133 2.651 7.581 1.00 0.00 C ATOM 206 C TYR A 13 -2.122 3.796 7.566 1.00 0.00 C ATOM 207 O TYR A 13 -1.406 3.978 8.547 1.00 0.00 O ATOM 208 CB TYR A 13 -2.713 1.435 6.750 1.00 0.00 C ATOM 209 CG TYR A 13 -3.390 0.156 7.203 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.712 -0.083 6.801 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.720 -0.795 8.005 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.367 -1.258 7.182 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.416 -1.931 8.463 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.729 -2.180 8.025 1.00 0.00 C ATOM 215 OH TYR A 13 -5.369 -3.332 8.372 1.00 0.00 O ATOM 0 H TYR A 13 -4.767 2.826 6.277 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.175 2.285 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.951 1.616 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.632 1.312 6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.228 0.646 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.682 -0.652 8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.367 -1.456 6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.940 -2.613 9.152 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.208 -3.404 7.871 1.00 0.00 H new ATOM 225 N ALA A 14 -2.053 4.594 6.493 1.00 0.00 N ATOM 226 CA ALA A 14 -1.106 5.704 6.428 1.00 0.00 C ATOM 227 C ALA A 14 -1.150 6.581 7.686 1.00 0.00 C ATOM 228 O ALA A 14 -0.116 7.007 8.183 1.00 0.00 O ATOM 229 CB ALA A 14 -1.375 6.522 5.170 1.00 0.00 C ATOM 0 H ALA A 14 -2.639 4.489 5.665 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.098 5.293 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.670 7.352 5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.255 5.888 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.392 6.912 5.200 1.00 0.00 H new ATOM 235 N ALA A 15 -2.343 6.843 8.222 1.00 0.00 N ATOM 236 CA ALA A 15 -2.526 7.660 9.414 1.00 0.00 C ATOM 237 C ALA A 15 -1.736 7.182 10.641 1.00 0.00 C ATOM 238 O ALA A 15 -1.517 7.978 11.550 1.00 0.00 O ATOM 239 CB ALA A 15 -4.019 7.762 9.736 1.00 0.00 C ATOM 0 H ALA A 15 -3.217 6.488 7.833 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.117 8.643 9.181 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.158 8.373 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.542 8.221 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.422 6.765 9.913 1.00 0.00 H new ATOM 245 N LYS A 16 -1.312 5.915 10.710 1.00 0.00 N ATOM 246 CA LYS A 16 -0.584 5.421 11.868 1.00 0.00 C ATOM 247 C LYS A 16 0.831 6.005 11.979 1.00 0.00 C ATOM 248 O LYS A 16 1.263 6.326 13.084 1.00 0.00 O ATOM 249 CB LYS A 16 -0.519 3.889 11.827 1.00 0.00 C ATOM 250 CG LYS A 16 -1.306 3.210 12.955 1.00 0.00 C ATOM 251 CD LYS A 16 -2.828 3.345 12.812 1.00 0.00 C ATOM 252 CE LYS A 16 -3.337 2.601 11.573 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.808 2.595 11.512 1.00 0.00 N ATOM 0 H LYS A 16 -1.463 5.221 9.978 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.130 5.749 12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.904 3.543 10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.524 3.576 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.045 2.152 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.000 3.639 13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.316 2.949 13.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.097 4.399 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.937 3.072 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.968 1.575 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.148 1.616 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.193 3.014 12.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.124 3.151 10.692 1.00 0.00 H new ATOM 267 N GLU A 17 1.562 6.118 10.864 1.00 0.00 N ATOM 268 CA GLU A 17 2.945 6.596 10.861 1.00 0.00 C ATOM 269 C GLU A 17 3.167 7.712 9.844 1.00 0.00 C ATOM 270 O GLU A 17 2.597 7.713 8.761 1.00 0.00 O ATOM 271 CB GLU A 17 3.911 5.455 10.525 1.00 0.00 C ATOM 272 CG GLU A 17 3.839 4.271 11.501 1.00 0.00 C ATOM 273 CD GLU A 17 4.785 3.136 11.107 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.714 3.408 10.312 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.568 2.014 11.609 1.00 0.00 O ATOM 0 H GLU A 17 1.208 5.879 9.938 1.00 0.00 H new ATOM 0 HA GLU A 17 3.137 6.981 11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.698 5.096 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.929 5.845 10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.086 4.615 12.505 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.817 3.894 11.536 1.00 0.00 H new ATOM 282 N GLY A 18 4.046 8.648 10.194 1.00 0.00 N ATOM 283 CA GLY A 18 4.402 9.772 9.345 1.00 0.00 C ATOM 284 C GLY A 18 3.176 10.604 8.966 1.00 0.00 C ATOM 285 O GLY A 18 2.278 10.810 9.778 1.00 0.00 O ATOM 0 H GLY A 18 4.535 8.643 11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.125 10.403 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.887 9.406 8.440 1.00 0.00 H new ATOM 289 N ASP A 19 3.146 11.092 7.725 1.00 0.00 N ATOM 290 CA ASP A 19 2.049 11.902 7.216 1.00 0.00 C ATOM 291 C ASP A 19 0.923 10.968 6.754 1.00 0.00 C ATOM 292 O ASP A 19 1.225 9.975 6.095 1.00 0.00 O ATOM 293 CB ASP A 19 2.569 12.756 6.052 1.00 0.00 C ATOM 294 CG ASP A 19 1.513 13.735 5.551 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.532 13.250 4.949 1.00 0.00 O ATOM 296 OD2 ASP A 19 1.695 14.946 5.797 1.00 0.00 O ATOM 0 H ASP A 19 3.889 10.933 7.044 1.00 0.00 H new ATOM 0 HA ASP A 19 1.659 12.564 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.453 13.308 6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.879 12.105 5.234 1.00 0.00 H new ATOM 301 N PRO A 20 -0.359 11.260 7.046 1.00 0.00 N ATOM 302 CA PRO A 20 -1.488 10.421 6.646 1.00 0.00 C ATOM 303 C PRO A 20 -1.596 10.165 5.136 1.00 0.00 C ATOM 304 O PRO A 20 -2.370 9.310 4.717 1.00 0.00 O ATOM 305 CB PRO A 20 -2.742 11.101 7.208 1.00 0.00 C ATOM 306 CG PRO A 20 -2.310 12.552 7.403 1.00 0.00 C ATOM 307 CD PRO A 20 -0.839 12.414 7.789 1.00 0.00 C ATOM 0 HA PRO A 20 -1.351 9.418 7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.583 11.023 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.057 10.647 8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.437 13.138 6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.889 13.046 8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.277 13.311 7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.725 12.266 8.863 1.00 0.00 H new ATOM 315 N ASN A 21 -0.842 10.878 4.299 1.00 0.00 N ATOM 316 CA ASN A 21 -0.825 10.658 2.865 1.00 0.00 C ATOM 317 C ASN A 21 0.153 9.536 2.495 1.00 0.00 C ATOM 318 O ASN A 21 0.054 9.009 1.390 1.00 0.00 O ATOM 319 CB ASN A 21 -0.408 11.967 2.188 1.00 0.00 C ATOM 320 CG ASN A 21 -0.163 11.793 0.696 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.084 11.638 -0.093 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.093 11.816 0.277 1.00 0.00 N ATOM 0 H ASN A 21 -0.223 11.629 4.606 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.816 10.355 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.185 12.716 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.498 12.346 2.661 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.302 11.704 -0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.852 11.946 0.946 1.00 0.00 H new ATOM 329 N GLN A 22 1.096 9.168 3.375 1.00 0.00 N ATOM 330 CA GLN A 22 2.125 8.176 3.080 1.00 0.00 C ATOM 331 C GLN A 22 2.048 6.865 3.871 1.00 0.00 C ATOM 332 O GLN A 22 1.812 6.857 5.072 1.00 0.00 O ATOM 333 CB GLN A 22 3.518 8.771 3.329 1.00 0.00 C ATOM 334 CG GLN A 22 4.105 9.618 2.193 1.00 0.00 C ATOM 335 CD GLN A 22 4.079 11.089 2.567 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.215 11.845 2.141 1.00 0.00 O ATOM 337 NE2 GLN A 22 5.035 11.518 3.375 1.00 0.00 N ATOM 0 H GLN A 22 1.161 9.557 4.316 1.00 0.00 H new ATOM 0 HA GLN A 22 1.944 7.924 2.035 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.472 9.387 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.208 7.953 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.129 9.306 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.534 9.458 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.744 10.869 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.063 12.498 3.656 1.00 0.00 H new ATOM 346 N LEU A 23 2.311 5.753 3.178 1.00 0.00 N ATOM 347 CA LEU A 23 2.421 4.413 3.750 1.00 0.00 C ATOM 348 C LEU A 23 3.898 4.045 3.902 1.00 0.00 C ATOM 349 O LEU A 23 4.557 3.772 2.903 1.00 0.00 O ATOM 350 CB LEU A 23 1.787 3.386 2.807 1.00 0.00 C ATOM 351 CG LEU A 23 0.310 3.110 3.072 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.191 2.107 2.025 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.034 2.500 4.446 1.00 0.00 C ATOM 0 H LEU A 23 2.458 5.764 2.169 1.00 0.00 H new ATOM 0 HA LEU A 23 1.915 4.407 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.900 3.736 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.339 2.449 2.887 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.199 4.073 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.246 1.897 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.064 2.528 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.381 1.182 2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.037 2.332 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.562 1.550 4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.380 3.182 5.223 1.00 0.00 H new ATOM 365 N SER A 24 4.445 4.014 5.117 1.00 0.00 N ATOM 366 CA SER A 24 5.842 3.633 5.305 1.00 0.00 C ATOM 367 C SER A 24 6.008 2.145 4.976 1.00 0.00 C ATOM 368 O SER A 24 5.016 1.434 4.863 1.00 0.00 O ATOM 369 CB SER A 24 6.275 3.922 6.747 1.00 0.00 C ATOM 370 OG SER A 24 5.590 3.060 7.633 1.00 0.00 O ATOM 0 H SER A 24 3.947 4.246 5.977 1.00 0.00 H new ATOM 0 HA SER A 24 6.475 4.216 4.637 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.351 3.783 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.063 4.961 6.999 1.00 0.00 H new ATOM 0 HG SER A 24 5.729 3.361 8.555 1.00 0.00 H new ATOM 376 N LYS A 25 7.237 1.642 4.837 1.00 0.00 N ATOM 377 CA LYS A 25 7.468 0.215 4.618 1.00 0.00 C ATOM 378 C LYS A 25 6.808 -0.562 5.755 1.00 0.00 C ATOM 379 O LYS A 25 6.061 -1.516 5.537 1.00 0.00 O ATOM 380 CB LYS A 25 8.983 -0.023 4.494 1.00 0.00 C ATOM 381 CG LYS A 25 9.440 -1.493 4.456 1.00 0.00 C ATOM 382 CD LYS A 25 9.527 -2.233 5.803 1.00 0.00 C ATOM 383 CE LYS A 25 10.334 -1.488 6.873 1.00 0.00 C ATOM 384 NZ LYS A 25 11.700 -1.179 6.415 1.00 0.00 N ATOM 0 H LYS A 25 8.088 2.204 4.873 1.00 0.00 H new ATOM 0 HA LYS A 25 7.019 -0.141 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.334 0.468 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.477 0.468 5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.756 -2.044 3.811 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.422 -1.530 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.518 -2.404 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.977 -3.212 5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.821 -0.563 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.383 -2.093 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.244 -0.767 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.164 -2.052 6.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.657 -0.499 5.629 1.00 0.00 H new ATOM 398 N GLU A 26 7.079 -0.119 6.981 1.00 0.00 N ATOM 399 CA GLU A 26 6.509 -0.710 8.179 1.00 0.00 C ATOM 400 C GLU A 26 4.979 -0.672 8.094 1.00 0.00 C ATOM 401 O GLU A 26 4.316 -1.666 8.362 1.00 0.00 O ATOM 402 CB GLU A 26 7.044 0.021 9.420 1.00 0.00 C ATOM 403 CG GLU A 26 6.588 -0.634 10.732 1.00 0.00 C ATOM 404 CD GLU A 26 7.036 -2.090 10.844 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.253 -2.322 10.676 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.155 -2.944 11.083 1.00 0.00 O ATOM 0 H GLU A 26 7.705 0.665 7.167 1.00 0.00 H new ATOM 0 HA GLU A 26 6.806 -1.756 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.133 0.038 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.708 1.058 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.986 -0.069 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.501 -0.585 10.801 1.00 0.00 H new ATOM 413 N GLU A 27 4.399 0.466 7.717 1.00 0.00 N ATOM 414 CA GLU A 27 2.954 0.570 7.620 1.00 0.00 C ATOM 415 C GLU A 27 2.391 -0.365 6.545 1.00 0.00 C ATOM 416 O GLU A 27 1.378 -1.034 6.755 1.00 0.00 O ATOM 417 CB GLU A 27 2.563 2.032 7.382 1.00 0.00 C ATOM 418 CG GLU A 27 1.089 2.284 7.697 1.00 0.00 C ATOM 419 CD GLU A 27 0.715 1.931 9.134 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.536 2.238 10.023 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.373 1.342 9.313 1.00 0.00 O ATOM 0 H GLU A 27 4.906 1.318 7.477 1.00 0.00 H new ATOM 0 HA GLU A 27 2.510 0.246 8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.183 2.680 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.763 2.297 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.859 3.334 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.473 1.700 7.014 1.00 0.00 H new ATOM 428 N LEU A 28 3.051 -0.423 5.387 1.00 0.00 N ATOM 429 CA LEU A 28 2.640 -1.286 4.301 1.00 0.00 C ATOM 430 C LEU A 28 2.624 -2.729 4.804 1.00 0.00 C ATOM 431 O LEU A 28 1.695 -3.467 4.497 1.00 0.00 O ATOM 432 CB LEU A 28 3.584 -1.098 3.106 1.00 0.00 C ATOM 433 CG LEU A 28 3.106 -1.830 1.840 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.843 -1.203 1.237 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.220 -1.827 0.790 1.00 0.00 C ATOM 0 H LEU A 28 3.884 0.130 5.185 1.00 0.00 H new ATOM 0 HA LEU A 28 1.636 -1.032 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.679 -0.034 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.577 -1.459 3.374 1.00 0.00 H new ATOM 0 HG LEU A 28 2.859 -2.850 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.550 -1.759 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.035 -1.237 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.045 -0.166 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.878 -2.346 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.478 -0.799 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.098 -2.334 1.190 1.00 0.00 H new ATOM 447 N LYS A 29 3.639 -3.122 5.584 1.00 0.00 N ATOM 448 CA LYS A 29 3.746 -4.468 6.138 1.00 0.00 C ATOM 449 C LYS A 29 2.417 -4.891 6.773 1.00 0.00 C ATOM 450 O LYS A 29 1.755 -5.801 6.279 1.00 0.00 O ATOM 451 CB LYS A 29 4.904 -4.542 7.147 1.00 0.00 C ATOM 452 CG LYS A 29 5.128 -5.947 7.713 1.00 0.00 C ATOM 453 CD LYS A 29 5.933 -6.789 6.728 1.00 0.00 C ATOM 454 CE LYS A 29 5.978 -8.258 7.155 1.00 0.00 C ATOM 455 NZ LYS A 29 6.894 -9.038 6.306 1.00 0.00 N ATOM 0 H LYS A 29 4.410 -2.508 5.847 1.00 0.00 H new ATOM 0 HA LYS A 29 3.965 -5.167 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.820 -4.203 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.704 -3.855 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.656 -5.884 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.168 -6.424 7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.491 -6.711 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.948 -6.398 6.657 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.297 -8.326 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.977 -8.685 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.901 -10.029 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.575 -8.992 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.854 -8.645 6.378 1.00 0.00 H new ATOM 469 N LEU A 30 2.034 -4.234 7.869 1.00 0.00 N ATOM 470 CA LEU A 30 0.785 -4.516 8.566 1.00 0.00 C ATOM 471 C LEU A 30 -0.411 -4.507 7.614 1.00 0.00 C ATOM 472 O LEU A 30 -1.240 -5.413 7.668 1.00 0.00 O ATOM 473 CB LEU A 30 0.521 -3.597 9.771 1.00 0.00 C ATOM 474 CG LEU A 30 1.430 -2.383 9.983 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.697 -1.351 10.849 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.721 -2.770 10.707 1.00 0.00 C ATOM 0 H LEU A 30 2.585 -3.490 8.297 1.00 0.00 H new ATOM 0 HA LEU A 30 0.908 -5.522 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.503 -3.233 9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.572 -4.209 10.671 1.00 0.00 H new ATOM 0 HG LEU A 30 1.678 -1.977 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.339 -0.484 11.004 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.219 -1.039 10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.449 -1.795 11.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.343 -1.885 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.479 -3.194 11.681 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.263 -3.508 10.115 1.00 0.00 H new ATOM 488 N LEU A 31 -0.513 -3.493 6.751 1.00 0.00 N ATOM 489 CA LEU A 31 -1.610 -3.390 5.790 1.00 0.00 C ATOM 490 C LEU A 31 -1.747 -4.690 4.996 1.00 0.00 C ATOM 491 O LEU A 31 -2.795 -5.339 4.985 1.00 0.00 O ATOM 492 CB LEU A 31 -1.353 -2.215 4.831 1.00 0.00 C ATOM 493 CG LEU A 31 -2.603 -1.547 4.222 1.00 0.00 C ATOM 494 CD1 LEU A 31 -2.263 -0.986 2.838 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.841 -2.437 4.087 1.00 0.00 C ATOM 0 H LEU A 31 0.158 -2.726 6.700 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.538 -3.214 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.784 -1.454 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.723 -2.570 4.016 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.871 -0.770 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.147 -0.514 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.467 -0.247 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.933 -1.796 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.656 -1.862 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.610 -3.287 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.140 -2.796 5.072 1.00 0.00 H new ATOM 507 N LEU A 32 -0.654 -5.059 4.329 1.00 0.00 N ATOM 508 CA LEU A 32 -0.581 -6.239 3.492 1.00 0.00 C ATOM 509 C LEU A 32 -0.912 -7.480 4.301 1.00 0.00 C ATOM 510 O LEU A 32 -1.755 -8.280 3.905 1.00 0.00 O ATOM 511 CB LEU A 32 0.817 -6.382 2.877 1.00 0.00 C ATOM 512 CG LEU A 32 1.158 -5.289 1.860 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.614 -5.461 1.411 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.245 -5.290 0.626 1.00 0.00 C ATOM 0 H LEU A 32 0.218 -4.531 4.361 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.309 -6.130 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.559 -6.367 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.892 -7.355 2.391 1.00 0.00 H new ATOM 0 HG LEU A 32 1.005 -4.333 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.865 -4.686 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.273 -5.377 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.740 -6.442 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.546 -4.489 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.328 -6.248 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.788 -5.133 0.937 1.00 0.00 H new ATOM 526 N GLN A 33 -0.245 -7.630 5.439 1.00 0.00 N ATOM 527 CA GLN A 33 -0.401 -8.764 6.316 1.00 0.00 C ATOM 528 C GLN A 33 -1.868 -8.970 6.693 1.00 0.00 C ATOM 529 O GLN A 33 -2.407 -10.066 6.566 1.00 0.00 O ATOM 530 CB GLN A 33 0.411 -8.461 7.574 1.00 0.00 C ATOM 531 CG GLN A 33 1.893 -8.830 7.480 1.00 0.00 C ATOM 532 CD GLN A 33 2.606 -8.501 8.791 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.382 -7.469 9.404 1.00 0.00 O ATOM 534 NE2 GLN A 33 3.488 -9.366 9.263 1.00 0.00 N ATOM 0 H GLN A 33 0.432 -6.947 5.777 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.059 -9.673 5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.328 -7.397 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.031 -8.997 8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.997 -9.892 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.359 -8.286 6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.678 -10.229 8.754 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.978 -9.170 10.136 1.00 0.00 H new ATOM 543 N THR A 34 -2.492 -7.905 7.182 1.00 0.00 N ATOM 544 CA THR A 34 -3.852 -7.932 7.680 1.00 0.00 C ATOM 545 C THR A 34 -4.906 -8.118 6.589 1.00 0.00 C ATOM 546 O THR A 34 -5.815 -8.925 6.764 1.00 0.00 O ATOM 547 CB THR A 34 -4.110 -6.652 8.496 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.067 -6.463 9.432 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.426 -6.722 9.276 1.00 0.00 C ATOM 0 H THR A 34 -2.055 -6.985 7.242 1.00 0.00 H new ATOM 0 HA THR A 34 -3.951 -8.811 8.317 1.00 0.00 H new ATOM 0 HB THR A 34 -4.161 -5.828 7.785 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.292 -6.065 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.566 -5.798 9.837 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.255 -6.854 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.395 -7.564 9.967 1.00 0.00 H new ATOM 557 N GLU A 35 -4.830 -7.354 5.492 1.00 0.00 N ATOM 558 CA GLU A 35 -5.890 -7.346 4.483 1.00 0.00 C ATOM 559 C GLU A 35 -5.547 -7.947 3.119 1.00 0.00 C ATOM 560 O GLU A 35 -6.447 -8.098 2.298 1.00 0.00 O ATOM 561 CB GLU A 35 -6.399 -5.905 4.360 1.00 0.00 C ATOM 562 CG GLU A 35 -6.929 -5.428 5.726 1.00 0.00 C ATOM 563 CD GLU A 35 -7.423 -3.992 5.713 1.00 0.00 C ATOM 564 OE1 GLU A 35 -7.512 -3.423 4.605 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.681 -3.484 6.828 1.00 0.00 O ATOM 0 H GLU A 35 -4.046 -6.736 5.283 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.664 -8.026 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.595 -5.252 4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.190 -5.850 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.743 -6.082 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.137 -5.525 6.469 1.00 0.00 H new ATOM 572 N PHE A 36 -4.288 -8.301 2.854 1.00 0.00 N ATOM 573 CA PHE A 36 -3.879 -8.871 1.573 1.00 0.00 C ATOM 574 C PHE A 36 -2.930 -10.066 1.760 1.00 0.00 C ATOM 575 O PHE A 36 -1.913 -10.111 1.075 1.00 0.00 O ATOM 576 CB PHE A 36 -3.209 -7.747 0.759 1.00 0.00 C ATOM 577 CG PHE A 36 -4.115 -6.573 0.438 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.995 -6.646 -0.657 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.150 -5.445 1.282 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.908 -5.611 -0.903 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.066 -4.408 1.035 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.947 -4.493 -0.053 1.00 0.00 C ATOM 0 H PHE A 36 -3.525 -8.200 3.523 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.749 -9.257 1.042 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.345 -7.381 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.835 -8.166 -0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.967 -7.504 -1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.472 -5.377 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.581 -5.673 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.091 -3.545 1.684 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.655 -3.699 -0.237 1.00 0.00 H new ATOM 592 N PRO A 37 -3.221 -11.035 2.649 1.00 0.00 N ATOM 593 CA PRO A 37 -2.336 -12.159 2.954 1.00 0.00 C ATOM 594 C PRO A 37 -1.801 -12.909 1.729 1.00 0.00 C ATOM 595 O PRO A 37 -0.626 -13.264 1.687 1.00 0.00 O ATOM 596 CB PRO A 37 -3.103 -13.067 3.922 1.00 0.00 C ATOM 597 CG PRO A 37 -4.557 -12.614 3.795 1.00 0.00 C ATOM 598 CD PRO A 37 -4.422 -11.130 3.462 1.00 0.00 C ATOM 0 HA PRO A 37 -1.421 -11.780 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.989 -14.118 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.740 -12.956 4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.083 -13.158 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.112 -12.772 4.720 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.295 -10.766 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.335 -10.529 4.367 1.00 0.00 H new ATOM 606 N SER A 38 -2.646 -13.160 0.730 1.00 0.00 N ATOM 607 CA SER A 38 -2.255 -13.829 -0.499 1.00 0.00 C ATOM 608 C SER A 38 -1.783 -12.790 -1.519 1.00 0.00 C ATOM 609 O SER A 38 -0.639 -12.806 -1.968 1.00 0.00 O ATOM 610 CB SER A 38 -3.451 -14.652 -0.981 1.00 0.00 C ATOM 611 OG SER A 38 -4.602 -13.828 -1.015 1.00 0.00 O ATOM 0 H SER A 38 -3.632 -12.899 0.757 1.00 0.00 H new ATOM 0 HA SER A 38 -1.416 -14.508 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.251 -15.059 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.616 -15.500 -0.316 1.00 0.00 H new ATOM 0 HG SER A 38 -5.370 -14.352 -1.325 1.00 0.00 H new ATOM 617 N LEU A 39 -2.685 -11.879 -1.878 1.00 0.00 N ATOM 618 CA LEU A 39 -2.542 -10.790 -2.803 1.00 0.00 C ATOM 619 C LEU A 39 -1.219 -10.030 -2.662 1.00 0.00 C ATOM 620 O LEU A 39 -0.684 -9.550 -3.658 1.00 0.00 O ATOM 621 CB LEU A 39 -3.748 -9.893 -2.531 1.00 0.00 C ATOM 622 CG LEU A 39 -5.132 -10.559 -2.647 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.232 -11.722 -3.646 1.00 0.00 C ATOM 624 CD2 LEU A 39 -5.799 -10.849 -1.293 1.00 0.00 C ATOM 0 H LEU A 39 -3.624 -11.900 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.513 -11.155 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.649 -9.482 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.713 -9.053 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.738 -9.781 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.249 -12.115 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.981 -11.366 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.538 -12.511 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.769 -11.318 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.166 -11.520 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.935 -9.915 -0.747 1.00 0.00 H new ATOM 636 N LEU A 40 -0.679 -9.917 -1.444 1.00 0.00 N ATOM 637 CA LEU A 40 0.579 -9.220 -1.199 1.00 0.00 C ATOM 638 C LEU A 40 1.765 -9.839 -1.932 1.00 0.00 C ATOM 639 O LEU A 40 2.755 -9.146 -2.149 1.00 0.00 O ATOM 640 CB LEU A 40 0.876 -9.128 0.307 1.00 0.00 C ATOM 641 CG LEU A 40 1.077 -10.459 1.061 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.461 -11.097 0.893 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.907 -10.224 2.568 1.00 0.00 C ATOM 0 H LEU A 40 -1.105 -10.307 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 40 0.447 -8.216 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.774 -8.524 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.056 -8.589 0.782 1.00 0.00 H new ATOM 0 HG LEU A 40 0.335 -11.132 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.504 -12.027 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.640 -11.306 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.225 -10.412 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.049 -11.164 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.646 -9.499 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.095 -9.842 2.766 1.00 0.00 H new ATOM 655 N LYS A 41 1.694 -11.121 -2.301 1.00 0.00 N ATOM 656 CA LYS A 41 2.805 -11.790 -2.959 1.00 0.00 C ATOM 657 C LYS A 41 3.112 -11.098 -4.285 1.00 0.00 C ATOM 658 O LYS A 41 4.213 -10.591 -4.486 1.00 0.00 O ATOM 659 CB LYS A 41 2.496 -13.285 -3.128 1.00 0.00 C ATOM 660 CG LYS A 41 2.428 -13.979 -1.760 1.00 0.00 C ATOM 661 CD LYS A 41 2.086 -15.464 -1.918 1.00 0.00 C ATOM 662 CE LYS A 41 2.129 -16.193 -0.567 1.00 0.00 C ATOM 663 NZ LYS A 41 1.110 -15.688 0.372 1.00 0.00 N ATOM 0 H LYS A 41 0.876 -11.711 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 41 3.701 -11.720 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.549 -13.409 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.265 -13.754 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.384 -13.874 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.677 -13.493 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.094 -15.566 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.790 -15.930 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.976 -17.260 -0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.118 -16.076 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.154 -16.232 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.291 -14.684 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.166 -15.792 -0.051 1.00 0.00 H new ATOM 677 N GLY A 42 2.125 -11.075 -5.183 1.00 0.00 N ATOM 678 CA GLY A 42 2.228 -10.456 -6.494 1.00 0.00 C ATOM 679 C GLY A 42 3.245 -11.163 -7.393 1.00 0.00 C ATOM 680 O GLY A 42 2.877 -11.838 -8.351 1.00 0.00 O ATOM 0 H GLY A 42 1.213 -11.498 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.251 -10.467 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.514 -9.411 -6.378 1.00 0.00 H new ATOM 684 N GLY A 43 4.526 -10.999 -7.070 1.00 0.00 N ATOM 685 CA GLY A 43 5.675 -11.565 -7.755 1.00 0.00 C ATOM 686 C GLY A 43 6.928 -10.754 -7.425 1.00 0.00 C ATOM 687 O GLY A 43 7.706 -10.429 -8.318 1.00 0.00 O ATOM 0 H GLY A 43 4.802 -10.429 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.814 -12.603 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.504 -11.565 -8.832 1.00 0.00 H new ATOM 691 N SER A 44 7.132 -10.406 -6.150 1.00 0.00 N ATOM 692 CA SER A 44 8.263 -9.627 -5.667 1.00 0.00 C ATOM 693 C SER A 44 8.284 -9.718 -4.141 1.00 0.00 C ATOM 694 O SER A 44 7.252 -10.000 -3.537 1.00 0.00 O ATOM 695 CB SER A 44 8.081 -8.163 -6.086 1.00 0.00 C ATOM 696 OG SER A 44 8.486 -7.959 -7.425 1.00 0.00 O ATOM 0 H SER A 44 6.488 -10.671 -5.405 1.00 0.00 H new ATOM 0 HA SER A 44 9.196 -10.008 -6.083 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.035 -7.877 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.661 -7.518 -5.426 1.00 0.00 H new ATOM 0 HG SER A 44 8.380 -8.793 -7.929 1.00 0.00 H new ATOM 702 N THR A 45 9.436 -9.476 -3.511 1.00 0.00 N ATOM 703 CA THR A 45 9.541 -9.484 -2.059 1.00 0.00 C ATOM 704 C THR A 45 9.000 -8.154 -1.530 1.00 0.00 C ATOM 705 O THR A 45 8.825 -7.207 -2.296 1.00 0.00 O ATOM 706 CB THR A 45 11.006 -9.678 -1.638 1.00 0.00 C ATOM 707 OG1 THR A 45 11.793 -8.596 -2.094 1.00 0.00 O ATOM 708 CG2 THR A 45 11.576 -10.992 -2.181 1.00 0.00 C ATOM 0 H THR A 45 10.312 -9.271 -3.992 1.00 0.00 H new ATOM 0 HA THR A 45 8.960 -10.308 -1.643 1.00 0.00 H new ATOM 0 HB THR A 45 11.034 -9.717 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.724 -8.730 -1.819 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.614 -11.097 -1.864 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.993 -11.828 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.528 -10.987 -3.270 1.00 0.00 H new ATOM 716 N LEU A 46 8.749 -8.068 -0.219 1.00 0.00 N ATOM 717 CA LEU A 46 8.266 -6.843 0.413 1.00 0.00 C ATOM 718 C LEU A 46 9.158 -5.667 0.034 1.00 0.00 C ATOM 719 O LEU A 46 8.664 -4.605 -0.313 1.00 0.00 O ATOM 720 CB LEU A 46 8.268 -6.994 1.942 1.00 0.00 C ATOM 721 CG LEU A 46 7.877 -5.703 2.697 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.403 -5.336 2.478 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.139 -5.918 4.188 1.00 0.00 C ATOM 0 H LEU A 46 8.876 -8.845 0.429 1.00 0.00 H new ATOM 0 HA LEU A 46 7.249 -6.660 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.577 -7.790 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.261 -7.306 2.266 1.00 0.00 H new ATOM 0 HG LEU A 46 8.477 -4.879 2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.170 -4.423 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.222 -5.178 1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.769 -6.147 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.869 -5.017 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.540 -6.755 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.196 -6.136 4.344 1.00 0.00 H new ATOM 735 N ASP A 47 10.471 -5.868 0.119 1.00 0.00 N ATOM 736 CA ASP A 47 11.486 -4.871 -0.146 1.00 0.00 C ATOM 737 C ASP A 47 11.351 -4.399 -1.581 1.00 0.00 C ATOM 738 O ASP A 47 11.117 -3.223 -1.806 1.00 0.00 O ATOM 739 CB ASP A 47 12.882 -5.440 0.136 1.00 0.00 C ATOM 740 CG ASP A 47 12.993 -5.973 1.560 1.00 0.00 C ATOM 741 OD1 ASP A 47 12.520 -7.114 1.766 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.522 -5.231 2.415 1.00 0.00 O ATOM 0 H ASP A 47 10.865 -6.770 0.386 1.00 0.00 H new ATOM 0 HA ASP A 47 11.349 -4.016 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.099 -6.241 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.631 -4.664 -0.022 1.00 0.00 H new ATOM 747 N GLU A 48 11.473 -5.308 -2.549 1.00 0.00 N ATOM 748 CA GLU A 48 11.361 -4.976 -3.964 1.00 0.00 C ATOM 749 C GLU A 48 10.052 -4.225 -4.235 1.00 0.00 C ATOM 750 O GLU A 48 10.033 -3.180 -4.881 1.00 0.00 O ATOM 751 CB GLU A 48 11.399 -6.276 -4.774 1.00 0.00 C ATOM 752 CG GLU A 48 12.762 -6.977 -4.682 1.00 0.00 C ATOM 753 CD GLU A 48 12.730 -8.375 -5.298 1.00 0.00 C ATOM 754 OE1 GLU A 48 11.672 -9.034 -5.180 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.773 -8.767 -5.864 1.00 0.00 O ATOM 0 H GLU A 48 11.653 -6.296 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 48 12.189 -4.330 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.621 -6.949 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.174 -6.058 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.515 -6.374 -5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.063 -7.048 -3.637 1.00 0.00 H new ATOM 762 N LEU A 49 8.954 -4.780 -3.730 1.00 0.00 N ATOM 763 CA LEU A 49 7.617 -4.250 -3.900 1.00 0.00 C ATOM 764 C LEU A 49 7.511 -2.829 -3.355 1.00 0.00 C ATOM 765 O LEU A 49 7.232 -1.889 -4.097 1.00 0.00 O ATOM 766 CB LEU A 49 6.638 -5.231 -3.240 1.00 0.00 C ATOM 767 CG LEU A 49 5.193 -4.735 -3.212 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.678 -4.474 -4.632 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.315 -5.770 -2.503 1.00 0.00 C ATOM 0 H LEU A 49 8.977 -5.636 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 49 7.365 -4.164 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.676 -6.181 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.966 -5.425 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 49 5.152 -3.793 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.647 -4.122 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.299 -3.717 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.721 -5.397 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.283 -5.419 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.364 -6.718 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.671 -5.912 -1.483 1.00 0.00 H new ATOM 781 N PHE A 50 7.743 -2.662 -2.056 1.00 0.00 N ATOM 782 CA PHE A 50 7.713 -1.386 -1.385 1.00 0.00 C ATOM 783 C PHE A 50 8.698 -0.453 -2.078 1.00 0.00 C ATOM 784 O PHE A 50 8.413 0.725 -2.204 1.00 0.00 O ATOM 785 CB PHE A 50 8.089 -1.597 0.087 1.00 0.00 C ATOM 786 CG PHE A 50 8.548 -0.337 0.774 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.626 0.597 1.276 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.910 -0.009 0.682 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.085 1.850 1.718 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.367 1.243 1.118 1.00 0.00 C ATOM 791 CZ PHE A 50 9.457 2.160 1.668 1.00 0.00 C ATOM 0 H PHE A 50 7.962 -3.439 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 50 6.720 -0.940 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.228 -2.000 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.880 -2.344 0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.575 0.354 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.609 -0.724 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.382 2.577 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.412 1.500 1.031 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.810 3.105 2.053 1.00 0.00 H new ATOM 801 N GLU A 51 9.851 -0.948 -2.532 1.00 0.00 N ATOM 802 CA GLU A 51 10.821 -0.080 -3.194 1.00 0.00 C ATOM 803 C GLU A 51 10.258 0.453 -4.506 1.00 0.00 C ATOM 804 O GLU A 51 10.407 1.637 -4.786 1.00 0.00 O ATOM 805 CB GLU A 51 12.172 -0.778 -3.400 1.00 0.00 C ATOM 806 CG GLU A 51 12.996 -0.813 -2.107 1.00 0.00 C ATOM 807 CD GLU A 51 14.243 -1.674 -2.275 1.00 0.00 C ATOM 808 OE1 GLU A 51 15.245 -1.123 -2.782 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.174 -2.866 -1.905 1.00 0.00 O ATOM 0 H GLU A 51 10.131 -1.926 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 51 11.007 0.769 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.006 -1.796 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.735 -0.259 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.285 0.200 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.386 -1.206 -1.294 1.00 0.00 H new ATOM 816 N GLU A 52 9.601 -0.395 -5.303 1.00 0.00 N ATOM 817 CA GLU A 52 8.987 0.055 -6.546 1.00 0.00 C ATOM 818 C GLU A 52 7.946 1.115 -6.193 1.00 0.00 C ATOM 819 O GLU A 52 7.844 2.163 -6.822 1.00 0.00 O ATOM 820 CB GLU A 52 8.327 -1.146 -7.249 1.00 0.00 C ATOM 821 CG GLU A 52 7.306 -0.743 -8.329 1.00 0.00 C ATOM 822 CD GLU A 52 7.913 0.080 -9.464 1.00 0.00 C ATOM 823 OE1 GLU A 52 9.107 -0.143 -9.764 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.160 0.903 -10.029 1.00 0.00 O ATOM 0 H GLU A 52 9.484 -1.389 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 52 9.729 0.480 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.103 -1.760 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.829 -1.764 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.854 -1.644 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.504 -0.170 -7.864 1.00 0.00 H new ATOM 831 N LEU A 53 7.159 0.795 -5.174 1.00 0.00 N ATOM 832 CA LEU A 53 6.078 1.614 -4.675 1.00 0.00 C ATOM 833 C LEU A 53 6.534 2.916 -4.005 1.00 0.00 C ATOM 834 O LEU A 53 5.807 3.900 -4.050 1.00 0.00 O ATOM 835 CB LEU A 53 5.293 0.751 -3.682 1.00 0.00 C ATOM 836 CG LEU A 53 4.299 -0.189 -4.373 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.854 -1.228 -3.348 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.072 0.563 -4.902 1.00 0.00 C ATOM 0 H LEU A 53 7.266 -0.078 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 53 5.469 1.935 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.991 0.162 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.754 1.399 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 53 4.787 -0.655 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.144 -1.914 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.721 -1.786 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.378 -0.727 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.394 -0.141 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.559 1.051 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.390 1.314 -5.625 1.00 0.00 H new ATOM 850 N ASP A 54 7.694 2.955 -3.351 1.00 0.00 N ATOM 851 CA ASP A 54 8.175 4.110 -2.633 1.00 0.00 C ATOM 852 C ASP A 54 8.372 5.268 -3.598 1.00 0.00 C ATOM 853 O ASP A 54 9.081 5.137 -4.590 1.00 0.00 O ATOM 854 CB ASP A 54 9.461 3.783 -1.862 1.00 0.00 C ATOM 855 CG ASP A 54 9.938 4.957 -1.003 1.00 0.00 C ATOM 856 OD1 ASP A 54 10.069 6.074 -1.549 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.240 4.730 0.187 1.00 0.00 O ATOM 0 H ASP A 54 8.332 2.160 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 54 7.431 4.406 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.289 2.916 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.246 3.510 -2.568 1.00 0.00 H new ATOM 862 N LYS A 55 7.747 6.389 -3.246 1.00 0.00 N ATOM 863 CA LYS A 55 7.775 7.678 -3.936 1.00 0.00 C ATOM 864 C LYS A 55 9.075 7.887 -4.721 1.00 0.00 C ATOM 865 O LYS A 55 9.042 8.204 -5.906 1.00 0.00 O ATOM 866 CB LYS A 55 7.646 8.809 -2.903 1.00 0.00 C ATOM 867 CG LYS A 55 6.303 8.832 -2.161 1.00 0.00 C ATOM 868 CD LYS A 55 6.158 10.085 -1.282 1.00 0.00 C ATOM 869 CE LYS A 55 7.245 10.147 -0.203 1.00 0.00 C ATOM 870 NZ LYS A 55 7.065 11.296 0.700 1.00 0.00 N ATOM 0 H LYS A 55 7.165 6.424 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 55 6.944 7.688 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.450 8.713 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.786 9.765 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.488 8.799 -2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.215 7.940 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.213 10.977 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.176 10.087 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.232 9.225 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.224 10.210 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.437 11.059 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.578 12.118 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.053 11.523 0.775 1.00 0.00 H new ATOM 884 N ASN A 56 10.218 7.712 -4.052 1.00 0.00 N ATOM 885 CA ASN A 56 11.541 7.861 -4.658 1.00 0.00 C ATOM 886 C ASN A 56 12.618 7.242 -3.763 1.00 0.00 C ATOM 887 O ASN A 56 13.725 7.767 -3.664 1.00 0.00 O ATOM 888 CB ASN A 56 11.831 9.343 -4.971 1.00 0.00 C ATOM 889 CG ASN A 56 11.821 10.246 -3.738 1.00 0.00 C ATOM 890 OD1 ASN A 56 10.883 10.995 -3.504 1.00 0.00 O ATOM 891 ND2 ASN A 56 12.857 10.200 -2.916 1.00 0.00 N ATOM 0 H ASN A 56 10.250 7.460 -3.064 1.00 0.00 H new ATOM 0 HA ASN A 56 11.556 7.320 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.803 9.419 -5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.089 9.707 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.875 10.790 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.638 9.574 -3.114 1.00 0.00 H new ATOM 898 N GLY A 57 12.295 6.130 -3.098 1.00 0.00 N ATOM 899 CA GLY A 57 13.194 5.472 -2.159 1.00 0.00 C ATOM 900 C GLY A 57 13.520 6.452 -1.031 1.00 0.00 C ATOM 901 O GLY A 57 14.682 6.783 -0.817 1.00 0.00 O ATOM 0 H GLY A 57 11.395 5.661 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.729 4.572 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.107 5.159 -2.665 1.00 0.00 H new ATOM 905 N ASP A 58 12.486 6.929 -0.324 1.00 0.00 N ATOM 906 CA ASP A 58 12.619 7.939 0.725 1.00 0.00 C ATOM 907 C ASP A 58 12.274 7.393 2.105 1.00 0.00 C ATOM 908 O ASP A 58 12.868 7.799 3.098 1.00 0.00 O ATOM 909 CB ASP A 58 11.749 9.167 0.396 1.00 0.00 C ATOM 910 CG ASP A 58 10.300 9.064 0.876 1.00 0.00 C ATOM 911 OD1 ASP A 58 9.649 8.047 0.546 1.00 0.00 O ATOM 912 OD2 ASP A 58 9.861 10.007 1.570 1.00 0.00 O ATOM 0 H ASP A 58 11.525 6.619 -0.469 1.00 0.00 H new ATOM 0 HA ASP A 58 13.667 8.238 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.205 10.050 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.751 9.320 -0.683 1.00 0.00 H new ATOM 917 N GLY A 59 11.297 6.490 2.166 1.00 0.00 N ATOM 918 CA GLY A 59 10.814 5.933 3.408 1.00 0.00 C ATOM 919 C GLY A 59 9.372 5.468 3.254 1.00 0.00 C ATOM 920 O GLY A 59 8.992 4.510 3.931 1.00 0.00 O ATOM 0 H GLY A 59 10.820 6.127 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.443 5.095 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.880 6.680 4.199 1.00 0.00 H new ATOM 924 N GLU A 60 8.554 6.113 2.398 1.00 0.00 N ATOM 925 CA GLU A 60 7.182 5.694 2.231 1.00 0.00 C ATOM 926 C GLU A 60 6.679 5.663 0.783 1.00 0.00 C ATOM 927 O GLU A 60 7.303 6.145 -0.159 1.00 0.00 O ATOM 928 CB GLU A 60 6.284 6.641 3.032 1.00 0.00 C ATOM 929 CG GLU A 60 6.798 7.159 4.387 1.00 0.00 C ATOM 930 CD GLU A 60 7.574 8.467 4.243 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.903 9.502 4.021 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.816 8.413 4.357 1.00 0.00 O ATOM 0 H GLU A 60 8.831 6.912 1.828 1.00 0.00 H new ATOM 0 HA GLU A 60 7.141 4.664 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.069 7.506 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.336 6.132 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.955 7.310 5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.440 6.405 4.843 1.00 0.00 H new ATOM 939 N VAL A 61 5.479 5.104 0.673 1.00 0.00 N ATOM 940 CA VAL A 61 4.598 4.949 -0.469 1.00 0.00 C ATOM 941 C VAL A 61 3.500 5.990 -0.206 1.00 0.00 C ATOM 942 O VAL A 61 3.513 6.636 0.838 1.00 0.00 O ATOM 943 CB VAL A 61 4.033 3.504 -0.445 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.105 3.176 -1.623 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.174 2.482 -0.420 1.00 0.00 C ATOM 0 H VAL A 61 5.047 4.694 1.501 1.00 0.00 H new ATOM 0 HA VAL A 61 5.069 5.095 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 61 3.435 3.444 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.752 2.149 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.252 3.854 -1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.651 3.292 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.759 1.474 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.792 2.605 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.783 2.638 0.470 1.00 0.00 H new ATOM 955 N SER A 62 2.525 6.165 -1.090 1.00 0.00 N ATOM 956 CA SER A 62 1.386 7.056 -0.898 1.00 0.00 C ATOM 957 C SER A 62 0.274 6.505 -1.781 1.00 0.00 C ATOM 958 O SER A 62 0.553 5.629 -2.597 1.00 0.00 O ATOM 959 CB SER A 62 1.701 8.516 -1.232 1.00 0.00 C ATOM 960 OG SER A 62 1.805 8.691 -2.622 1.00 0.00 O ATOM 0 H SER A 62 2.504 5.677 -1.986 1.00 0.00 H new ATOM 0 HA SER A 62 1.096 7.077 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.918 9.163 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.633 8.812 -0.751 1.00 0.00 H new ATOM 0 HG SER A 62 2.710 8.456 -2.915 1.00 0.00 H new ATOM 966 N PHE A 63 -0.962 6.987 -1.644 1.00 0.00 N ATOM 967 CA PHE A 63 -2.062 6.486 -2.460 1.00 0.00 C ATOM 968 C PHE A 63 -1.719 6.504 -3.951 1.00 0.00 C ATOM 969 O PHE A 63 -2.051 5.561 -4.665 1.00 0.00 O ATOM 970 CB PHE A 63 -3.372 7.197 -2.137 1.00 0.00 C ATOM 971 CG PHE A 63 -4.550 6.719 -2.966 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.266 5.581 -2.553 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.821 7.287 -4.227 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.360 5.121 -3.310 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.833 6.745 -5.040 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.673 5.735 -4.533 1.00 0.00 C ATOM 0 H PHE A 63 -1.222 7.717 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.214 5.438 -2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.601 7.054 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.241 8.268 -2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.976 5.059 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.252 8.139 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.958 4.297 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.965 7.103 -6.050 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.553 5.434 -5.082 1.00 0.00 H new ATOM 986 N GLU A 64 -1.042 7.563 -4.405 1.00 0.00 N ATOM 987 CA GLU A 64 -0.623 7.742 -5.788 1.00 0.00 C ATOM 988 C GLU A 64 0.041 6.459 -6.309 1.00 0.00 C ATOM 989 O GLU A 64 -0.488 5.758 -7.168 1.00 0.00 O ATOM 990 CB GLU A 64 0.334 8.950 -5.853 1.00 0.00 C ATOM 991 CG GLU A 64 0.599 9.409 -7.293 1.00 0.00 C ATOM 992 CD GLU A 64 -0.662 9.941 -7.968 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.120 11.023 -7.540 1.00 0.00 O ATOM 994 OE2 GLU A 64 -1.154 9.249 -8.886 1.00 0.00 O ATOM 0 H GLU A 64 -0.766 8.337 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.484 7.939 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.090 9.777 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.279 8.687 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.363 10.186 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.995 8.575 -7.872 1.00 0.00 H new ATOM 1001 N GLU A 65 1.211 6.154 -5.756 1.00 0.00 N ATOM 1002 CA GLU A 65 1.994 4.976 -6.102 1.00 0.00 C ATOM 1003 C GLU A 65 1.191 3.721 -5.783 1.00 0.00 C ATOM 1004 O GLU A 65 1.190 2.771 -6.559 1.00 0.00 O ATOM 1005 CB GLU A 65 3.330 4.919 -5.345 1.00 0.00 C ATOM 1006 CG GLU A 65 3.598 6.074 -4.372 1.00 0.00 C ATOM 1007 CD GLU A 65 4.051 7.357 -5.062 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.725 7.261 -6.109 1.00 0.00 O ATOM 1009 OE2 GLU A 65 3.698 8.421 -4.515 1.00 0.00 O ATOM 0 H GLU A 65 1.649 6.733 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 65 2.215 5.035 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.370 3.983 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.138 4.890 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.691 6.277 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.361 5.767 -3.657 1.00 0.00 H new ATOM 1016 N PHE A 66 0.519 3.716 -4.627 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.302 2.594 -4.183 1.00 0.00 C ATOM 1018 C PHE A 66 -1.236 2.071 -5.282 1.00 0.00 C ATOM 1019 O PHE A 66 -1.558 0.888 -5.277 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.078 2.961 -2.917 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.786 1.811 -2.239 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.089 0.990 -1.334 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.149 1.579 -2.490 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.759 -0.053 -0.674 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.783 0.461 -1.923 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.100 -0.337 -0.989 1.00 0.00 C ATOM 0 H PHE A 66 0.532 4.497 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 66 0.377 1.775 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.387 3.412 -2.205 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.816 3.722 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.039 1.162 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.708 2.258 -3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.245 -0.637 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.796 0.214 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.604 -1.166 -0.514 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.670 2.898 -6.244 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.512 2.398 -7.331 1.00 0.00 C ATOM 1038 C GLN A 67 -1.832 1.259 -8.101 1.00 0.00 C ATOM 1039 O GLN A 67 -2.500 0.352 -8.595 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.082 3.524 -8.211 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.742 4.629 -7.384 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.702 4.029 -6.372 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.811 3.626 -6.699 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.285 3.948 -5.123 1.00 0.00 N ATOM 0 H GLN A 67 -1.456 3.894 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.396 1.947 -6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.281 3.953 -8.813 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.812 3.106 -8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.979 5.213 -6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.277 5.314 -8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.357 4.290 -4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.890 3.544 -4.408 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.499 1.260 -8.167 1.00 0.00 N ATOM 1054 CA VAL A 68 0.242 0.168 -8.778 1.00 0.00 C ATOM 1055 C VAL A 68 -0.058 -1.100 -7.970 1.00 0.00 C ATOM 1056 O VAL A 68 -0.211 -2.181 -8.532 1.00 0.00 O ATOM 1057 CB VAL A 68 1.746 0.492 -8.832 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.547 -0.669 -9.435 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.000 1.748 -9.677 1.00 0.00 C ATOM 0 H VAL A 68 0.086 2.011 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.066 0.016 -9.812 1.00 0.00 H new ATOM 0 HB VAL A 68 2.073 0.660 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.605 -0.408 -9.459 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.407 -1.562 -8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.199 -0.863 -10.449 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.069 1.959 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.639 1.583 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.473 2.595 -9.238 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.182 -0.982 -6.644 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.521 -2.122 -5.816 1.00 0.00 C ATOM 1071 C LEU A 69 -1.976 -2.500 -6.066 1.00 0.00 C ATOM 1072 O LEU A 69 -2.259 -3.682 -6.245 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.261 -1.888 -4.330 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.430 -3.244 -3.622 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.880 -3.663 -2.975 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.607 -3.225 -2.655 1.00 0.00 C ATOM 0 H LEU A 69 -0.052 -0.109 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 69 0.134 -2.946 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.743 -1.493 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.959 -1.154 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.675 -4.006 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.749 -4.624 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.651 -3.753 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.181 -2.913 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.697 -4.198 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.443 -2.458 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.524 -3.005 -3.202 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.888 -1.518 -6.095 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.296 -1.770 -6.408 1.00 0.00 C ATOM 1090 C VAL A 70 -4.366 -2.630 -7.674 1.00 0.00 C ATOM 1091 O VAL A 70 -5.179 -3.543 -7.765 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.097 -0.464 -6.560 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.549 -0.754 -6.966 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.090 0.330 -5.249 1.00 0.00 C ATOM 0 H VAL A 70 -2.672 -0.540 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.758 -2.305 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.619 0.125 -7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.093 0.185 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.562 -1.285 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.025 -1.369 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.661 1.249 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.540 -0.270 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.063 0.576 -4.978 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.497 -2.352 -8.646 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.412 -3.158 -9.845 1.00 0.00 C ATOM 1106 C LYS A 71 -2.764 -4.524 -9.550 1.00 0.00 C ATOM 1107 O LYS A 71 -3.278 -5.545 -10.010 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.653 -2.379 -10.930 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.632 -3.127 -12.268 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.921 -2.281 -13.333 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.951 -2.954 -14.711 1.00 0.00 C ATOM 1112 NZ LYS A 71 -1.247 -4.249 -14.710 1.00 0.00 N ATOM 0 H LYS A 71 -2.843 -1.570 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.417 -3.366 -10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.119 -1.403 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.630 -2.200 -10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.122 -4.083 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.651 -3.346 -12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.397 -1.302 -13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.887 -2.114 -13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.986 -3.105 -15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.493 -2.293 -15.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.188 -4.613 -15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.288 -4.122 -14.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.768 -4.927 -14.118 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.642 -4.584 -8.813 1.00 0.00 N ATOM 1127 CA LYS A 72 -0.921 -5.819 -8.620 1.00 0.00 C ATOM 1128 C LYS A 72 -1.609 -6.836 -7.724 1.00 0.00 C ATOM 1129 O LYS A 72 -1.332 -8.024 -7.837 1.00 0.00 O ATOM 1130 CB LYS A 72 0.516 -5.518 -8.218 1.00 0.00 C ATOM 1131 CG LYS A 72 0.821 -5.511 -6.716 1.00 0.00 C ATOM 1132 CD LYS A 72 1.385 -6.865 -6.256 1.00 0.00 C ATOM 1133 CE LYS A 72 1.536 -6.915 -4.733 1.00 0.00 C ATOM 1134 NZ LYS A 72 0.229 -6.935 -4.056 1.00 0.00 N ATOM 0 H LYS A 72 -1.226 -3.778 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.910 -6.333 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.164 -6.254 -8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.787 -4.544 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.537 -4.721 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.088 -5.285 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.725 -7.667 -6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.354 -7.037 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.104 -7.802 -4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.107 -6.050 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.353 -6.681 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.408 -6.250 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.182 -7.888 -4.123 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.515 -6.424 -6.845 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.241 -7.404 -6.035 1.00 0.00 C ATOM 1150 C ILE A 73 -4.013 -8.345 -6.977 1.00 0.00 C ATOM 1151 O ILE A 73 -4.193 -9.524 -6.679 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.174 -6.727 -5.021 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.031 -5.648 -5.688 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.360 -6.111 -3.874 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.378 -5.469 -5.003 1.00 0.00 C ATOM 0 H ILE A 73 -2.762 -5.449 -6.675 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.528 -7.984 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.839 -7.492 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.492 -4.701 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.191 -5.910 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.035 -5.635 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.794 -6.893 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.672 -5.367 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.946 -4.692 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.932 -6.407 -5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.222 -5.179 -3.964 1.00 0.00 H new ATOM 1167 N SER A 74 -4.437 -7.817 -8.131 1.00 0.00 N ATOM 1168 CA SER A 74 -5.138 -8.506 -9.199 1.00 0.00 C ATOM 1169 C SER A 74 -4.188 -8.784 -10.375 1.00 0.00 C ATOM 1170 O SER A 74 -4.645 -8.959 -11.502 1.00 0.00 O ATOM 1171 CB SER A 74 -6.305 -7.605 -9.627 1.00 0.00 C ATOM 1172 OG SER A 74 -5.908 -6.242 -9.634 1.00 0.00 O ATOM 0 H SER A 74 -4.285 -6.832 -8.349 1.00 0.00 H new ATOM 0 HA SER A 74 -5.512 -9.472 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.649 -7.894 -10.620 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.145 -7.741 -8.946 1.00 0.00 H new ATOM 0 HG SER A 74 -4.978 -6.174 -9.935 1.00 0.00 H new ATOM 1178 N GLN A 75 -2.872 -8.822 -10.135 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.858 -9.065 -11.164 1.00 0.00 C ATOM 1180 C GLN A 75 -2.265 -10.184 -12.132 1.00 0.00 C ATOM 1181 O GLN A 75 -1.445 -10.653 -12.920 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.472 -9.324 -10.538 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.294 -10.700 -9.863 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.518 -11.222 -9.107 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.174 -12.157 -9.540 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -1.866 -10.624 -7.980 1.00 0.00 N ATOM 0 H GLN A 75 -2.477 -8.682 -9.205 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.785 -8.154 -11.759 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.284 -9.220 -11.316 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.276 -8.548 -9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.022 -11.428 -10.627 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.543 -10.639 -9.168 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.313 -9.844 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.687 -10.943 -7.466 1.00 0.00 H new TER 1195 GLN A 75