USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 837 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 99 GLN : amide:sc= 0.514 K(o=0.91,f=-4.6) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -177:sc= 0.398 (180deg=-0.2) USER MOD Set 2.1: A 83 HIS : no HD1:sc= 0.258 K(o=1.6,f=-5.2!) USER MOD Set 2.2: A 85 TYR OH : rot -22:sc= 1.32 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.855 K(o=1.6,f=-3.7!) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -173:sc= 0.782 (180deg=0.68) USER MOD Set 4.1: A 1 GLY N :NH3+ 135:sc= 1.36 (180deg=0) USER MOD Set 4.2: A 51 ASN : amide:sc= 2.04 K(o=3.4,f=-5.3!) USER MOD Single : A 3 SER OG : rot 61:sc= 0.112 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0441) USER MOD Single : A 16 GLN : amide:sc= 0.341 X(o=0.34,f=-0.0095) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -0.0269 (180deg=-0.179) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.127) USER MOD Single : A 32 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 34 THR OG1 : rot -47:sc= 1.26 USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.48 (180deg=-0.337) USER MOD Single : A 41 MET CE :methyl -168:sc=-0.00633 (180deg=-0.205) USER MOD Single : A 48 THR OG1 : rot 66:sc= 0.827 USER MOD Single : A 50 SER OG : rot -17:sc= 0.969 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.979) USER MOD Single : A 61 LYS NZ :NH3+ -103:sc= 0.00144 (180deg=-0.428) USER MOD Single : A 77 THR OG1 : rot -82:sc= 0.584 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 5:sc= 0.627 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0.462 (180deg=0.41) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.694) USER MOD Single : A 98 SER OG : rot 118:sc= 1.05 USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0531) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0.993 K(o=0.99,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.780 -7.314 10.614 1.00 0.00 N ATOM 2 CA GLY A 1 -3.373 -7.738 10.537 1.00 0.00 C ATOM 3 C GLY A 1 -3.141 -8.418 9.193 1.00 0.00 C ATOM 4 O GLY A 1 -4.115 -8.563 8.458 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.168 -7.566 11.545 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.840 -6.284 10.481 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.328 -7.791 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.713 -6.878 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.139 -8.423 11.352 1.00 0.00 H new ATOM 10 N GLY A 2 -1.909 -8.844 8.901 1.00 0.00 N ATOM 11 CA GLY A 2 -1.538 -9.506 7.656 1.00 0.00 C ATOM 12 C GLY A 2 -0.596 -8.600 6.867 1.00 0.00 C ATOM 13 O GLY A 2 0.020 -7.701 7.441 1.00 0.00 O ATOM 0 H GLY A 2 -1.125 -8.733 9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.053 -10.459 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.429 -9.725 7.067 1.00 0.00 H new ATOM 17 N SER A 3 -0.490 -8.797 5.552 1.00 0.00 N ATOM 18 CA SER A 3 0.338 -7.970 4.694 1.00 0.00 C ATOM 19 C SER A 3 -0.459 -6.716 4.349 1.00 0.00 C ATOM 20 O SER A 3 -0.883 -6.529 3.205 1.00 0.00 O ATOM 21 CB SER A 3 0.701 -8.778 3.454 1.00 0.00 C ATOM 22 OG SER A 3 -0.462 -9.390 2.930 1.00 0.00 O ATOM 0 H SER A 3 -0.982 -9.541 5.056 1.00 0.00 H new ATOM 0 HA SER A 3 1.265 -7.668 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.152 -8.129 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.442 -9.537 3.706 1.00 0.00 H new ATOM 0 HG SER A 3 -1.108 -8.699 2.675 1.00 0.00 H new ATOM 28 N VAL A 4 -0.687 -5.895 5.376 1.00 0.00 N ATOM 29 CA VAL A 4 -1.517 -4.712 5.321 1.00 0.00 C ATOM 30 C VAL A 4 -0.734 -3.449 5.665 1.00 0.00 C ATOM 31 O VAL A 4 -1.316 -2.433 6.039 1.00 0.00 O ATOM 32 CB VAL A 4 -2.691 -4.962 6.282 1.00 0.00 C ATOM 33 CG1 VAL A 4 -3.411 -6.260 5.909 1.00 0.00 C ATOM 34 CG2 VAL A 4 -2.324 -5.018 7.761 1.00 0.00 C ATOM 0 H VAL A 4 -0.279 -6.050 6.298 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.885 -4.538 4.310 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.335 -4.091 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.240 -6.427 6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.793 -6.185 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.713 -7.095 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.222 -5.198 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.611 -5.825 7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.876 -4.070 8.061 1.00 0.00 H new ATOM 44 N ILE A 5 0.588 -3.533 5.536 1.00 0.00 N ATOM 45 CA ILE A 5 1.555 -2.507 5.846 1.00 0.00 C ATOM 46 C ILE A 5 2.812 -2.825 5.043 1.00 0.00 C ATOM 47 O ILE A 5 2.897 -3.842 4.355 1.00 0.00 O ATOM 48 CB ILE A 5 1.876 -2.461 7.366 1.00 0.00 C ATOM 49 CG1 ILE A 5 1.868 -3.835 8.068 1.00 0.00 C ATOM 50 CG2 ILE A 5 0.878 -1.556 8.103 1.00 0.00 C ATOM 51 CD1 ILE A 5 2.900 -4.822 7.517 1.00 0.00 C ATOM 0 H ILE A 5 1.033 -4.382 5.187 1.00 0.00 H new ATOM 0 HA ILE A 5 1.157 -1.526 5.585 1.00 0.00 H new ATOM 0 HB ILE A 5 2.892 -2.071 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.052 -3.689 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.875 -4.274 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.120 -1.537 9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.937 -0.545 7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.132 -1.942 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.831 -5.763 8.063 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.705 -5.000 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.901 -4.406 7.636 1.00 0.00 H new ATOM 63 N VAL A 6 3.783 -1.929 5.148 1.00 0.00 N ATOM 64 CA VAL A 6 5.128 -2.031 4.625 1.00 0.00 C ATOM 65 C VAL A 6 5.930 -1.195 5.622 1.00 0.00 C ATOM 66 O VAL A 6 5.464 -0.959 6.738 1.00 0.00 O ATOM 67 CB VAL A 6 5.174 -1.575 3.152 1.00 0.00 C ATOM 68 CG1 VAL A 6 5.080 -0.058 3.003 1.00 0.00 C ATOM 69 CG2 VAL A 6 6.367 -2.125 2.353 1.00 0.00 C ATOM 0 H VAL A 6 3.634 -1.047 5.639 1.00 0.00 H new ATOM 0 HA VAL A 6 5.542 -3.037 4.560 1.00 0.00 H new ATOM 0 HB VAL A 6 4.281 -2.019 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.117 0.207 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.141 0.292 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.914 0.411 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.321 -1.755 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.297 -1.797 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.330 -3.214 2.347 1.00 0.00 H new ATOM 79 N ILE A 7 7.100 -0.718 5.235 1.00 0.00 N ATOM 80 CA ILE A 7 7.963 0.061 6.095 1.00 0.00 C ATOM 81 C ILE A 7 8.860 0.895 5.181 1.00 0.00 C ATOM 82 O ILE A 7 8.931 0.637 3.979 1.00 0.00 O ATOM 83 CB ILE A 7 8.678 -0.908 7.057 1.00 0.00 C ATOM 84 CG1 ILE A 7 9.490 -0.193 8.145 1.00 0.00 C ATOM 85 CG2 ILE A 7 9.600 -1.838 6.272 1.00 0.00 C ATOM 86 CD1 ILE A 7 9.946 -1.189 9.216 1.00 0.00 C ATOM 0 H ILE A 7 7.480 -0.865 4.300 1.00 0.00 H new ATOM 0 HA ILE A 7 7.446 0.769 6.743 1.00 0.00 H new ATOM 0 HB ILE A 7 7.895 -1.476 7.559 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.358 0.293 7.699 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.886 0.590 8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.101 -2.519 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.013 -2.413 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.345 -1.247 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.520 -0.665 9.980 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.074 -1.655 9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.569 -1.957 8.757 1.00 0.00 H new ATOM 98 N ASP A 8 9.504 1.914 5.741 1.00 0.00 N ATOM 99 CA ASP A 8 10.303 2.887 5.007 1.00 0.00 C ATOM 100 C ASP A 8 11.581 2.283 4.430 1.00 0.00 C ATOM 101 O ASP A 8 12.049 2.695 3.373 1.00 0.00 O ATOM 102 CB ASP A 8 10.653 4.049 5.953 1.00 0.00 C ATOM 103 CG ASP A 8 11.690 3.680 7.018 1.00 0.00 C ATOM 104 OD1 ASP A 8 11.597 2.552 7.554 1.00 0.00 O ATOM 105 OD2 ASP A 8 12.569 4.531 7.267 1.00 0.00 O ATOM 0 H ASP A 8 9.483 2.090 6.746 1.00 0.00 H new ATOM 0 HA ASP A 8 9.713 3.239 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.031 4.885 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.743 4.392 6.446 1.00 0.00 H new ATOM 110 N SER A 9 12.175 1.334 5.148 1.00 0.00 N ATOM 111 CA SER A 9 13.423 0.713 4.752 1.00 0.00 C ATOM 112 C SER A 9 13.241 -0.026 3.426 1.00 0.00 C ATOM 113 O SER A 9 12.682 -1.117 3.408 1.00 0.00 O ATOM 114 CB SER A 9 13.875 -0.236 5.858 1.00 0.00 C ATOM 115 OG SER A 9 14.045 0.476 7.071 1.00 0.00 O ATOM 0 H SER A 9 11.797 0.976 6.025 1.00 0.00 H new ATOM 0 HA SER A 9 14.191 1.473 4.605 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.138 -1.028 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.811 -0.717 5.575 1.00 0.00 H new ATOM 0 HG SER A 9 14.333 -0.142 7.775 1.00 0.00 H new ATOM 121 N LYS A 10 13.756 0.539 2.332 1.00 0.00 N ATOM 122 CA LYS A 10 13.636 0.028 0.969 1.00 0.00 C ATOM 123 C LYS A 10 13.761 -1.495 0.884 1.00 0.00 C ATOM 124 O LYS A 10 12.902 -2.154 0.309 1.00 0.00 O ATOM 125 CB LYS A 10 14.706 0.723 0.118 1.00 0.00 C ATOM 126 CG LYS A 10 14.524 0.516 -1.393 1.00 0.00 C ATOM 127 CD LYS A 10 15.274 -0.714 -1.930 1.00 0.00 C ATOM 128 CE LYS A 10 14.989 -0.949 -3.418 1.00 0.00 C ATOM 129 NZ LYS A 10 15.476 0.158 -4.260 1.00 0.00 N ATOM 0 H LYS A 10 14.293 1.405 2.377 1.00 0.00 H new ATOM 0 HA LYS A 10 12.637 0.251 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.692 1.791 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.688 0.352 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 10 13.462 0.411 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.872 1.405 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.346 -0.580 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.981 -1.596 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.462 -1.879 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 10 13.916 -1.071 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.354 -0.089 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.935 1.020 -4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.484 0.325 -4.065 1.00 0.00 H new ATOM 143 N ALA A 11 14.818 -2.065 1.464 1.00 0.00 N ATOM 144 CA ALA A 11 15.046 -3.510 1.444 1.00 0.00 C ATOM 145 C ALA A 11 13.797 -4.286 1.891 1.00 0.00 C ATOM 146 O ALA A 11 13.449 -5.323 1.327 1.00 0.00 O ATOM 147 CB ALA A 11 16.233 -3.842 2.351 1.00 0.00 C ATOM 0 H ALA A 11 15.538 -1.540 1.960 1.00 0.00 H new ATOM 0 HA ALA A 11 15.266 -3.813 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.409 -4.918 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.122 -3.326 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.014 -3.520 3.369 1.00 0.00 H new ATOM 153 N ALA A 12 13.103 -3.769 2.906 1.00 0.00 N ATOM 154 CA ALA A 12 11.896 -4.375 3.432 1.00 0.00 C ATOM 155 C ALA A 12 10.749 -4.295 2.421 1.00 0.00 C ATOM 156 O ALA A 12 9.852 -5.130 2.469 1.00 0.00 O ATOM 157 CB ALA A 12 11.498 -3.675 4.723 1.00 0.00 C ATOM 0 H ALA A 12 13.372 -2.910 3.385 1.00 0.00 H new ATOM 0 HA ALA A 12 12.097 -5.428 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.590 -4.130 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.302 -3.773 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.317 -2.619 4.523 1.00 0.00 H new ATOM 163 N TRP A 13 10.731 -3.294 1.532 1.00 0.00 N ATOM 164 CA TRP A 13 9.714 -3.211 0.489 1.00 0.00 C ATOM 165 C TRP A 13 9.877 -4.459 -0.386 1.00 0.00 C ATOM 166 O TRP A 13 8.917 -5.199 -0.599 1.00 0.00 O ATOM 167 CB TRP A 13 9.810 -1.867 -0.281 1.00 0.00 C ATOM 168 CG TRP A 13 10.019 -1.896 -1.774 1.00 0.00 C ATOM 169 CD1 TRP A 13 11.185 -2.174 -2.397 1.00 0.00 C ATOM 170 CD2 TRP A 13 9.077 -1.593 -2.852 1.00 0.00 C ATOM 171 NE1 TRP A 13 11.015 -2.190 -3.760 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.740 -1.800 -4.100 1.00 0.00 C ATOM 173 CE3 TRP A 13 7.737 -1.153 -2.912 1.00 0.00 C ATOM 174 CZ2 TRP A 13 9.105 -1.609 -5.334 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.107 -0.907 -4.148 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.779 -1.154 -5.357 1.00 0.00 C ATOM 0 H TRP A 13 11.411 -2.533 1.518 1.00 0.00 H new ATOM 0 HA TRP A 13 8.704 -3.205 0.900 1.00 0.00 H new ATOM 0 HB2 TRP A 13 8.893 -1.310 -0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.629 -1.295 0.155 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.122 -2.358 -1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 13 11.737 -2.455 -4.430 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.186 -1.002 -1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 9.630 -1.810 -6.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.097 -0.525 -4.166 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.277 -0.994 -6.300 1.00 0.00 H new ATOM 187 N ASP A 14 11.116 -4.735 -0.814 1.00 0.00 N ATOM 188 CA ASP A 14 11.434 -5.899 -1.634 1.00 0.00 C ATOM 189 C ASP A 14 11.057 -7.166 -0.873 1.00 0.00 C ATOM 190 O ASP A 14 10.412 -8.066 -1.413 1.00 0.00 O ATOM 191 CB ASP A 14 12.923 -5.923 -2.008 1.00 0.00 C ATOM 192 CG ASP A 14 13.350 -4.713 -2.832 1.00 0.00 C ATOM 193 OD1 ASP A 14 12.810 -4.552 -3.949 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.203 -3.956 -2.323 1.00 0.00 O ATOM 0 H ASP A 14 11.925 -4.152 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 14 10.862 -5.844 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.520 -5.964 -1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.136 -6.832 -2.570 1.00 0.00 H new ATOM 199 N ALA A 15 11.458 -7.226 0.398 1.00 0.00 N ATOM 200 CA ALA A 15 11.129 -8.353 1.259 1.00 0.00 C ATOM 201 C ALA A 15 9.619 -8.588 1.253 1.00 0.00 C ATOM 202 O ALA A 15 9.176 -9.717 1.050 1.00 0.00 O ATOM 203 CB ALA A 15 11.641 -8.120 2.681 1.00 0.00 C ATOM 0 H ALA A 15 12.014 -6.501 0.852 1.00 0.00 H new ATOM 0 HA ALA A 15 11.622 -9.245 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.383 -8.975 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.724 -7.998 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.181 -7.220 3.090 1.00 0.00 H new ATOM 209 N GLN A 16 8.835 -7.525 1.449 1.00 0.00 N ATOM 210 CA GLN A 16 7.381 -7.586 1.440 1.00 0.00 C ATOM 211 C GLN A 16 6.903 -8.196 0.121 1.00 0.00 C ATOM 212 O GLN A 16 6.107 -9.134 0.152 1.00 0.00 O ATOM 213 CB GLN A 16 6.762 -6.199 1.677 1.00 0.00 C ATOM 214 CG GLN A 16 5.928 -6.169 2.968 1.00 0.00 C ATOM 215 CD GLN A 16 6.715 -6.175 4.282 1.00 0.00 C ATOM 216 OE1 GLN A 16 6.262 -6.760 5.260 1.00 0.00 O ATOM 217 NE2 GLN A 16 7.868 -5.514 4.361 1.00 0.00 N ATOM 0 H GLN A 16 9.202 -6.589 1.620 1.00 0.00 H new ATOM 0 HA GLN A 16 7.049 -8.223 2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.553 -5.451 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.132 -5.931 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.300 -5.279 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.260 -7.031 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.236 -5.031 3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.383 -5.491 5.241 1.00 0.00 H new ATOM 226 N LEU A 17 7.380 -7.687 -1.024 1.00 0.00 N ATOM 227 CA LEU A 17 7.024 -8.255 -2.319 1.00 0.00 C ATOM 228 C LEU A 17 7.235 -9.772 -2.296 1.00 0.00 C ATOM 229 O LEU A 17 6.327 -10.529 -2.629 1.00 0.00 O ATOM 230 CB LEU A 17 7.854 -7.648 -3.466 1.00 0.00 C ATOM 231 CG LEU A 17 7.818 -6.125 -3.678 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.533 -5.774 -4.989 1.00 0.00 C ATOM 233 CD2 LEU A 17 6.397 -5.574 -3.752 1.00 0.00 C ATOM 0 H LEU A 17 8.010 -6.886 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 17 5.975 -8.019 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.894 -7.935 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.529 -8.119 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 17 8.314 -5.675 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.508 -4.695 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.569 -6.109 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.031 -6.268 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.433 -4.495 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.869 -6.039 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.873 -5.794 -2.822 1.00 0.00 H new ATOM 245 N ALA A 18 8.419 -10.210 -1.861 1.00 0.00 N ATOM 246 CA ALA A 18 8.781 -11.620 -1.836 1.00 0.00 C ATOM 247 C ALA A 18 7.867 -12.441 -0.927 1.00 0.00 C ATOM 248 O ALA A 18 7.276 -13.420 -1.382 1.00 0.00 O ATOM 249 CB ALA A 18 10.249 -11.752 -1.430 1.00 0.00 C ATOM 0 H ALA A 18 9.152 -9.591 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 18 8.646 -12.030 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.527 -12.806 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.875 -11.226 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.393 -11.319 -0.440 1.00 0.00 H new ATOM 255 N LYS A 19 7.738 -12.071 0.354 1.00 0.00 N ATOM 256 CA LYS A 19 6.875 -12.833 1.254 1.00 0.00 C ATOM 257 C LYS A 19 5.412 -12.749 0.805 1.00 0.00 C ATOM 258 O LYS A 19 4.624 -13.634 1.133 1.00 0.00 O ATOM 259 CB LYS A 19 7.032 -12.389 2.714 1.00 0.00 C ATOM 260 CG LYS A 19 6.730 -10.905 2.949 1.00 0.00 C ATOM 261 CD LYS A 19 6.351 -10.579 4.403 1.00 0.00 C ATOM 262 CE LYS A 19 5.040 -11.229 4.872 1.00 0.00 C ATOM 263 NZ LYS A 19 3.944 -11.036 3.907 1.00 0.00 N ATOM 0 H LYS A 19 8.207 -11.271 0.778 1.00 0.00 H new ATOM 0 HA LYS A 19 7.190 -13.875 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.369 -12.988 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.051 -12.598 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.603 -10.316 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.915 -10.600 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.159 -10.903 5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.267 -9.498 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.201 -12.296 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.752 -10.807 5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.052 -11.371 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.860 -10.026 3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.145 -11.575 3.041 1.00 0.00 H new ATOM 277 N GLY A 20 5.042 -11.725 0.029 1.00 0.00 N ATOM 278 CA GLY A 20 3.690 -11.507 -0.469 1.00 0.00 C ATOM 279 C GLY A 20 3.186 -12.545 -1.483 1.00 0.00 C ATOM 280 O GLY A 20 2.300 -12.225 -2.270 1.00 0.00 O ATOM 0 H GLY A 20 5.699 -11.006 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.006 -11.492 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.646 -10.521 -0.932 1.00 0.00 H new ATOM 284 N LYS A 21 3.711 -13.775 -1.467 1.00 0.00 N ATOM 285 CA LYS A 21 3.258 -14.894 -2.283 1.00 0.00 C ATOM 286 C LYS A 21 3.177 -14.512 -3.760 1.00 0.00 C ATOM 287 O LYS A 21 2.102 -14.418 -4.351 1.00 0.00 O ATOM 288 CB LYS A 21 1.920 -15.418 -1.734 1.00 0.00 C ATOM 289 CG LYS A 21 1.980 -15.794 -0.245 1.00 0.00 C ATOM 290 CD LYS A 21 2.916 -16.979 0.034 1.00 0.00 C ATOM 291 CE LYS A 21 2.935 -17.345 1.524 1.00 0.00 C ATOM 292 NZ LYS A 21 1.626 -17.831 1.995 1.00 0.00 N ATOM 0 H LYS A 21 4.493 -14.022 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 21 3.988 -15.702 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.153 -14.657 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.616 -16.292 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.314 -14.930 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.977 -16.040 0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.595 -17.842 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.926 -16.731 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.690 -18.112 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.228 -16.472 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.729 -18.239 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.953 -17.039 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.271 -18.559 1.343 1.00 0.00 H new ATOM 306 N GLU A 22 4.359 -14.339 -4.353 1.00 0.00 N ATOM 307 CA GLU A 22 4.584 -13.999 -5.743 1.00 0.00 C ATOM 308 C GLU A 22 4.233 -15.194 -6.630 1.00 0.00 C ATOM 309 O GLU A 22 5.102 -15.875 -7.170 1.00 0.00 O ATOM 310 CB GLU A 22 6.042 -13.561 -5.929 1.00 0.00 C ATOM 311 CG GLU A 22 6.388 -12.368 -5.030 1.00 0.00 C ATOM 312 CD GLU A 22 7.729 -11.743 -5.405 1.00 0.00 C ATOM 313 OE1 GLU A 22 8.704 -12.519 -5.515 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.766 -10.503 -5.558 1.00 0.00 O ATOM 0 H GLU A 22 5.233 -14.441 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 22 3.941 -13.169 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.706 -14.395 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.213 -13.294 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.603 -11.616 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.417 -12.693 -3.990 1.00 0.00 H new ATOM 321 N GLU A 23 2.932 -15.459 -6.710 1.00 0.00 N ATOM 322 CA GLU A 23 2.319 -16.463 -7.565 1.00 0.00 C ATOM 323 C GLU A 23 1.572 -15.702 -8.662 1.00 0.00 C ATOM 324 O GLU A 23 1.941 -15.737 -9.833 1.00 0.00 O ATOM 325 CB GLU A 23 1.383 -17.353 -6.730 1.00 0.00 C ATOM 326 CG GLU A 23 2.149 -18.110 -5.635 1.00 0.00 C ATOM 327 CD GLU A 23 1.202 -18.931 -4.766 1.00 0.00 C ATOM 328 OE1 GLU A 23 0.372 -18.295 -4.080 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.319 -20.174 -4.805 1.00 0.00 O ATOM 0 H GLU A 23 2.245 -14.952 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 23 3.056 -17.128 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.607 -16.738 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.881 -18.067 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.888 -18.767 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.695 -17.401 -5.013 1.00 0.00 H new ATOM 336 N HIS A 24 0.529 -14.982 -8.247 1.00 0.00 N ATOM 337 CA HIS A 24 -0.328 -14.147 -9.085 1.00 0.00 C ATOM 338 C HIS A 24 -1.093 -13.148 -8.214 1.00 0.00 C ATOM 339 O HIS A 24 -2.098 -12.572 -8.630 1.00 0.00 O ATOM 340 CB HIS A 24 -1.308 -15.049 -9.849 1.00 0.00 C ATOM 341 CG HIS A 24 -2.228 -15.789 -8.911 1.00 0.00 C ATOM 342 ND1 HIS A 24 -1.860 -17.006 -8.334 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.408 -15.374 -8.353 1.00 0.00 C ATOM 344 CE1 HIS A 24 -2.832 -17.279 -7.459 1.00 0.00 C ATOM 345 NE2 HIS A 24 -3.764 -16.315 -7.412 1.00 0.00 N ATOM 0 H HIS A 24 0.246 -14.966 -7.267 1.00 0.00 H new ATOM 0 HA HIS A 24 0.280 -13.589 -9.797 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.899 -14.445 -10.537 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.750 -15.765 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.956 -14.478 -8.604 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.864 -18.175 -6.857 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.578 -16.285 -6.798 1.00 0.00 H new ATOM 353 N LYS A 25 -0.611 -12.945 -6.990 1.00 0.00 N ATOM 354 CA LYS A 25 -1.309 -12.155 -5.996 1.00 0.00 C ATOM 355 C LYS A 25 -1.190 -10.662 -6.301 1.00 0.00 C ATOM 356 O LYS A 25 -0.136 -10.215 -6.760 1.00 0.00 O ATOM 357 CB LYS A 25 -0.734 -12.472 -4.610 1.00 0.00 C ATOM 358 CG LYS A 25 -1.130 -13.879 -4.139 1.00 0.00 C ATOM 359 CD LYS A 25 -2.568 -13.891 -3.601 1.00 0.00 C ATOM 360 CE LYS A 25 -2.981 -15.265 -3.064 1.00 0.00 C ATOM 361 NZ LYS A 25 -3.191 -16.235 -4.151 1.00 0.00 N ATOM 0 H LYS A 25 0.277 -13.327 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.369 -12.410 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.353 -12.390 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.090 -11.734 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.041 -14.583 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.443 -14.213 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.662 -13.151 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.252 -13.594 -4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.212 -15.637 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.897 -15.167 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.583 -17.115 -3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.856 -15.839 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.283 -16.437 -4.616 1.00 0.00 H new ATOM 375 N PRO A 26 -2.263 -9.891 -6.064 1.00 0.00 N ATOM 376 CA PRO A 26 -2.278 -8.451 -6.247 1.00 0.00 C ATOM 377 C PRO A 26 -1.499 -7.752 -5.136 1.00 0.00 C ATOM 378 O PRO A 26 -1.888 -7.799 -3.966 1.00 0.00 O ATOM 379 CB PRO A 26 -3.754 -8.046 -6.242 1.00 0.00 C ATOM 380 CG PRO A 26 -4.385 -9.116 -5.356 1.00 0.00 C ATOM 381 CD PRO A 26 -3.590 -10.369 -5.696 1.00 0.00 C ATOM 0 HA PRO A 26 -1.795 -8.158 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.899 -7.045 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.179 -8.047 -7.246 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.303 -8.862 -4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.446 -9.242 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.542 -11.048 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.052 -10.918 -6.516 1.00 0.00 H new ATOM 389 N ILE A 27 -0.399 -7.099 -5.511 1.00 0.00 N ATOM 390 CA ILE A 27 0.393 -6.284 -4.615 1.00 0.00 C ATOM 391 C ILE A 27 -0.009 -4.851 -4.921 1.00 0.00 C ATOM 392 O ILE A 27 0.406 -4.286 -5.932 1.00 0.00 O ATOM 393 CB ILE A 27 1.900 -6.540 -4.786 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.242 -8.030 -4.603 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.655 -5.687 -3.760 1.00 0.00 C ATOM 396 CD1 ILE A 27 3.623 -8.396 -5.154 1.00 0.00 C ATOM 0 H ILE A 27 -0.035 -7.128 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 27 0.204 -6.524 -3.569 1.00 0.00 H new ATOM 0 HB ILE A 27 2.198 -6.265 -5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.202 -8.279 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.485 -8.635 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.727 -5.855 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.434 -4.633 -3.930 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.341 -5.966 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.808 -9.459 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.659 -8.176 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.387 -7.814 -4.638 1.00 0.00 H new ATOM 408 N VAL A 28 -0.865 -4.290 -4.071 1.00 0.00 N ATOM 409 CA VAL A 28 -1.389 -2.950 -4.227 1.00 0.00 C ATOM 410 C VAL A 28 -0.532 -2.056 -3.345 1.00 0.00 C ATOM 411 O VAL A 28 -0.597 -2.160 -2.120 1.00 0.00 O ATOM 412 CB VAL A 28 -2.875 -2.892 -3.831 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.459 -1.556 -4.307 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.682 -4.040 -4.455 1.00 0.00 C ATOM 0 H VAL A 28 -1.216 -4.769 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.345 -2.620 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.941 -2.988 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.513 -1.501 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.918 -0.734 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.362 -1.482 -5.390 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.725 -3.960 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.617 -3.982 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.277 -4.994 -4.118 1.00 0.00 H new ATOM 424 N VAL A 29 0.297 -1.206 -3.947 1.00 0.00 N ATOM 425 CA VAL A 29 1.149 -0.307 -3.195 1.00 0.00 C ATOM 426 C VAL A 29 0.630 1.121 -3.317 1.00 0.00 C ATOM 427 O VAL A 29 0.493 1.665 -4.414 1.00 0.00 O ATOM 428 CB VAL A 29 2.623 -0.461 -3.596 1.00 0.00 C ATOM 429 CG1 VAL A 29 2.931 -0.127 -5.050 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.467 0.432 -2.677 1.00 0.00 C ATOM 0 H VAL A 29 0.392 -1.126 -4.959 1.00 0.00 H new ATOM 0 HA VAL A 29 1.110 -0.572 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 29 2.867 -1.518 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.996 -0.266 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.359 -0.785 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.659 0.909 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.519 0.338 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.155 1.470 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.327 0.123 -1.641 1.00 0.00 H new ATOM 440 N ASP A 30 0.320 1.702 -2.160 1.00 0.00 N ATOM 441 CA ASP A 30 -0.093 3.076 -1.990 1.00 0.00 C ATOM 442 C ASP A 30 1.177 3.911 -1.875 1.00 0.00 C ATOM 443 O ASP A 30 1.806 3.916 -0.816 1.00 0.00 O ATOM 444 CB ASP A 30 -0.956 3.174 -0.720 1.00 0.00 C ATOM 445 CG ASP A 30 -1.132 4.598 -0.208 1.00 0.00 C ATOM 446 OD1 ASP A 30 -1.038 5.523 -1.042 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.367 4.739 1.012 1.00 0.00 O ATOM 0 H ASP A 30 0.355 1.194 -1.276 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.690 3.439 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.938 2.747 -0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.502 2.569 0.065 1.00 0.00 H new ATOM 452 N PHE A 31 1.582 4.563 -2.967 1.00 0.00 N ATOM 453 CA PHE A 31 2.692 5.498 -2.959 1.00 0.00 C ATOM 454 C PHE A 31 2.079 6.880 -2.747 1.00 0.00 C ATOM 455 O PHE A 31 1.574 7.482 -3.697 1.00 0.00 O ATOM 456 CB PHE A 31 3.468 5.478 -4.278 1.00 0.00 C ATOM 457 CG PHE A 31 4.319 4.256 -4.559 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.643 4.217 -4.083 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.914 3.350 -5.554 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.579 3.344 -4.666 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.851 2.480 -6.140 1.00 0.00 C ATOM 462 CZ PHE A 31 6.194 2.513 -5.733 1.00 0.00 C ATOM 0 H PHE A 31 1.143 4.452 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 31 3.401 5.231 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.753 5.587 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.116 6.354 -4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.941 4.859 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.881 3.322 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.593 3.312 -4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.537 1.785 -6.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.929 1.903 -6.237 1.00 0.00 H new ATOM 472 N THR A 32 2.110 7.377 -1.513 1.00 0.00 N ATOM 473 CA THR A 32 1.619 8.701 -1.165 1.00 0.00 C ATOM 474 C THR A 32 2.701 9.368 -0.326 1.00 0.00 C ATOM 475 O THR A 32 3.532 8.692 0.275 1.00 0.00 O ATOM 476 CB THR A 32 0.256 8.597 -0.461 1.00 0.00 C ATOM 477 OG1 THR A 32 -0.687 8.125 -1.395 1.00 0.00 O ATOM 478 CG2 THR A 32 -0.269 9.947 0.036 1.00 0.00 C ATOM 0 H THR A 32 2.483 6.860 -0.717 1.00 0.00 H new ATOM 0 HA THR A 32 1.434 9.318 -2.044 1.00 0.00 H new ATOM 0 HB THR A 32 0.391 7.937 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.807 7.159 -1.279 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.234 9.805 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.438 10.373 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.386 10.626 -0.809 1.00 0.00 H new ATOM 486 N ALA A 33 2.747 10.697 -0.343 1.00 0.00 N ATOM 487 CA ALA A 33 3.749 11.446 0.389 1.00 0.00 C ATOM 488 C ALA A 33 3.254 11.778 1.794 1.00 0.00 C ATOM 489 O ALA A 33 2.056 11.776 2.066 1.00 0.00 O ATOM 490 CB ALA A 33 4.068 12.723 -0.393 1.00 0.00 C ATOM 0 H ALA A 33 2.091 11.278 -0.864 1.00 0.00 H new ATOM 0 HA ALA A 33 4.653 10.847 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.821 13.300 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.448 12.460 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.162 13.320 -0.500 1.00 0.00 H new ATOM 496 N THR A 34 4.194 12.052 2.695 1.00 0.00 N ATOM 497 CA THR A 34 3.927 12.554 4.032 1.00 0.00 C ATOM 498 C THR A 34 3.337 13.968 3.906 1.00 0.00 C ATOM 499 O THR A 34 2.570 14.419 4.754 1.00 0.00 O ATOM 500 CB THR A 34 5.252 12.552 4.806 1.00 0.00 C ATOM 501 OG1 THR A 34 5.953 11.349 4.541 1.00 0.00 O ATOM 502 CG2 THR A 34 5.026 12.678 6.313 1.00 0.00 C ATOM 0 H THR A 34 5.188 11.926 2.506 1.00 0.00 H new ATOM 0 HA THR A 34 3.210 11.934 4.570 1.00 0.00 H new ATOM 0 HB THR A 34 5.833 13.413 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.342 10.588 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.987 12.673 6.827 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.506 13.612 6.526 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.424 11.839 6.662 1.00 0.00 H new ATOM 510 N TRP A 35 3.737 14.662 2.833 1.00 0.00 N ATOM 511 CA TRP A 35 3.307 15.991 2.435 1.00 0.00 C ATOM 512 C TRP A 35 1.802 16.075 2.156 1.00 0.00 C ATOM 513 O TRP A 35 1.069 15.092 2.236 1.00 0.00 O ATOM 514 CB TRP A 35 4.102 16.365 1.170 1.00 0.00 C ATOM 515 CG TRP A 35 5.282 17.241 1.415 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.532 16.841 1.734 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.314 18.694 1.381 1.00 0.00 C ATOM 518 NE1 TRP A 35 7.339 17.951 1.904 1.00 0.00 N ATOM 519 CE2 TRP A 35 6.634 19.122 1.700 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.351 19.690 1.110 1.00 0.00 C ATOM 521 CZ2 TRP A 35 6.983 20.481 1.753 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.691 21.054 1.165 1.00 0.00 C ATOM 523 CH2 TRP A 35 6.002 21.450 1.486 1.00 0.00 C ATOM 0 H TRP A 35 4.418 14.274 2.180 1.00 0.00 H new ATOM 0 HA TRP A 35 3.497 16.684 3.254 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.440 15.449 0.686 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.433 16.867 0.471 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.851 15.815 1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.328 17.911 2.149 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.341 19.401 0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.993 20.777 1.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.940 21.802 0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.254 22.499 1.527 1.00 0.00 H new ATOM 534 N CYS A 36 1.360 17.289 1.795 1.00 0.00 N ATOM 535 CA CYS A 36 0.001 17.662 1.403 1.00 0.00 C ATOM 536 C CYS A 36 -0.965 17.605 2.586 1.00 0.00 C ATOM 537 O CYS A 36 -1.523 18.633 2.960 1.00 0.00 O ATOM 538 CB CYS A 36 -0.476 16.828 0.206 1.00 0.00 C ATOM 539 SG CYS A 36 -2.258 16.896 -0.099 1.00 0.00 S ATOM 0 H CYS A 36 1.991 18.090 1.769 1.00 0.00 H new ATOM 0 HA CYS A 36 0.018 18.702 1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.045 17.169 -0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.188 15.789 0.366 1.00 0.00 H new ATOM 544 N GLY A 37 -1.159 16.427 3.176 1.00 0.00 N ATOM 545 CA GLY A 37 -2.029 16.220 4.329 1.00 0.00 C ATOM 546 C GLY A 37 -3.326 15.525 3.909 1.00 0.00 C ATOM 547 O GLY A 37 -3.394 14.303 4.034 1.00 0.00 O ATOM 0 H GLY A 37 -0.705 15.571 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.513 15.618 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.258 17.178 4.795 1.00 0.00 H new ATOM 551 N PRO A 38 -4.349 16.242 3.403 1.00 0.00 N ATOM 552 CA PRO A 38 -5.613 15.649 2.969 1.00 0.00 C ATOM 553 C PRO A 38 -5.403 14.421 2.083 1.00 0.00 C ATOM 554 O PRO A 38 -6.065 13.401 2.248 1.00 0.00 O ATOM 555 CB PRO A 38 -6.364 16.763 2.235 1.00 0.00 C ATOM 556 CG PRO A 38 -5.868 18.015 2.956 1.00 0.00 C ATOM 557 CD PRO A 38 -4.399 17.684 3.215 1.00 0.00 C ATOM 0 HA PRO A 38 -6.184 15.280 3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.125 16.784 1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.445 16.648 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.981 18.909 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.414 18.193 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.774 17.992 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.029 18.207 4.097 1.00 0.00 H new ATOM 565 N CYS A 39 -4.436 14.521 1.169 1.00 0.00 N ATOM 566 CA CYS A 39 -4.014 13.463 0.256 1.00 0.00 C ATOM 567 C CYS A 39 -3.834 12.133 0.992 1.00 0.00 C ATOM 568 O CYS A 39 -4.169 11.071 0.472 1.00 0.00 O ATOM 569 CB CYS A 39 -2.666 13.845 -0.379 1.00 0.00 C ATOM 570 SG CYS A 39 -2.599 15.322 -1.430 1.00 0.00 S ATOM 0 H CYS A 39 -3.903 15.381 1.041 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.787 13.349 -0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.944 13.977 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.327 12.997 -0.975 1.00 0.00 H new ATOM 575 N LYS A 40 -3.285 12.199 2.207 1.00 0.00 N ATOM 576 CA LYS A 40 -2.939 11.045 3.011 1.00 0.00 C ATOM 577 C LYS A 40 -4.139 10.449 3.753 1.00 0.00 C ATOM 578 O LYS A 40 -4.028 9.334 4.252 1.00 0.00 O ATOM 579 CB LYS A 40 -1.827 11.465 3.980 1.00 0.00 C ATOM 580 CG LYS A 40 -0.886 10.298 4.285 1.00 0.00 C ATOM 581 CD LYS A 40 0.277 10.810 5.139 1.00 0.00 C ATOM 582 CE LYS A 40 1.385 9.760 5.282 1.00 0.00 C ATOM 583 NZ LYS A 40 1.981 9.417 3.978 1.00 0.00 N ATOM 0 H LYS A 40 -3.067 13.085 2.663 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.591 10.248 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.259 12.290 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.268 11.831 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.422 9.509 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.511 9.864 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.688 11.713 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.092 11.086 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.160 10.137 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.977 8.861 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.989 9.195 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.492 8.590 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.883 10.223 3.329 1.00 0.00 H new ATOM 597 N MET A 41 -5.286 11.132 3.821 1.00 0.00 N ATOM 598 CA MET A 41 -6.479 10.605 4.496 1.00 0.00 C ATOM 599 C MET A 41 -6.925 9.280 3.883 1.00 0.00 C ATOM 600 O MET A 41 -7.538 8.449 4.550 1.00 0.00 O ATOM 601 CB MET A 41 -7.619 11.620 4.405 1.00 0.00 C ATOM 602 CG MET A 41 -7.291 12.904 5.171 1.00 0.00 C ATOM 603 SD MET A 41 -7.212 12.779 6.979 1.00 0.00 S ATOM 604 CE MET A 41 -8.924 12.346 7.366 1.00 0.00 C ATOM 0 H MET A 41 -5.415 12.058 3.414 1.00 0.00 H new ATOM 0 HA MET A 41 -6.223 10.429 5.541 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.812 11.859 3.359 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.532 11.180 4.805 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.331 13.277 4.814 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.040 13.653 4.914 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.090 12.442 8.439 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.598 13.016 6.833 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.117 11.318 7.060 1.00 0.00 H new ATOM 614 N ILE A 42 -6.617 9.076 2.605 1.00 0.00 N ATOM 615 CA ILE A 42 -6.912 7.824 1.931 1.00 0.00 C ATOM 616 C ILE A 42 -6.104 6.674 2.558 1.00 0.00 C ATOM 617 O ILE A 42 -6.558 5.534 2.528 1.00 0.00 O ATOM 618 CB ILE A 42 -6.657 7.990 0.422 1.00 0.00 C ATOM 619 CG1 ILE A 42 -7.724 8.943 -0.145 1.00 0.00 C ATOM 620 CG2 ILE A 42 -6.736 6.629 -0.285 1.00 0.00 C ATOM 621 CD1 ILE A 42 -7.422 9.393 -1.573 1.00 0.00 C ATOM 0 H ILE A 42 -6.159 9.771 2.015 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.962 7.562 2.059 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.661 8.400 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.695 8.447 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.799 9.820 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.554 6.762 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.984 5.959 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.727 6.199 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.210 10.063 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.466 9.916 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.375 8.522 -2.227 1.00 0.00 H new ATOM 633 N ALA A 43 -4.931 6.942 3.143 1.00 0.00 N ATOM 634 CA ALA A 43 -4.079 5.916 3.738 1.00 0.00 C ATOM 635 C ALA A 43 -4.830 5.050 4.767 1.00 0.00 C ATOM 636 O ALA A 43 -4.886 3.842 4.559 1.00 0.00 O ATOM 637 CB ALA A 43 -2.804 6.540 4.317 1.00 0.00 C ATOM 0 H ALA A 43 -4.547 7.884 3.215 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.781 5.233 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.183 5.759 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.250 7.040 3.522 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.071 7.266 5.086 1.00 0.00 H new ATOM 643 N PRO A 44 -5.413 5.577 5.862 1.00 0.00 N ATOM 644 CA PRO A 44 -6.148 4.756 6.824 1.00 0.00 C ATOM 645 C PRO A 44 -7.345 4.037 6.192 1.00 0.00 C ATOM 646 O PRO A 44 -7.657 2.904 6.559 1.00 0.00 O ATOM 647 CB PRO A 44 -6.576 5.697 7.956 1.00 0.00 C ATOM 648 CG PRO A 44 -6.518 7.084 7.319 1.00 0.00 C ATOM 649 CD PRO A 44 -5.349 6.944 6.345 1.00 0.00 C ATOM 0 HA PRO A 44 -5.514 3.953 7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.579 5.463 8.313 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.907 5.622 8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.447 7.336 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.340 7.865 8.059 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.434 7.656 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.399 7.142 6.841 1.00 0.00 H new ATOM 657 N LEU A 45 -8.027 4.673 5.237 1.00 0.00 N ATOM 658 CA LEU A 45 -9.150 4.032 4.552 1.00 0.00 C ATOM 659 C LEU A 45 -8.635 2.785 3.829 1.00 0.00 C ATOM 660 O LEU A 45 -9.126 1.673 4.025 1.00 0.00 O ATOM 661 CB LEU A 45 -9.812 5.008 3.570 1.00 0.00 C ATOM 662 CG LEU A 45 -10.437 6.238 4.252 1.00 0.00 C ATOM 663 CD1 LEU A 45 -11.096 7.119 3.187 1.00 0.00 C ATOM 664 CD2 LEU A 45 -11.489 5.862 5.303 1.00 0.00 C ATOM 0 H LEU A 45 -7.824 5.622 4.923 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.908 3.740 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.069 5.343 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.585 4.480 3.012 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.634 6.768 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.541 7.993 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.345 7.441 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.872 6.551 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.896 6.769 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.293 5.300 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.027 5.250 6.078 1.00 0.00 H new ATOM 676 N PHE A 46 -7.600 2.981 3.017 1.00 0.00 N ATOM 677 CA PHE A 46 -6.904 1.924 2.307 1.00 0.00 C ATOM 678 C PHE A 46 -6.437 0.869 3.317 1.00 0.00 C ATOM 679 O PHE A 46 -6.592 -0.322 3.069 1.00 0.00 O ATOM 680 CB PHE A 46 -5.759 2.568 1.516 1.00 0.00 C ATOM 681 CG PHE A 46 -4.807 1.619 0.815 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.101 1.124 -0.469 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.562 1.330 1.403 1.00 0.00 C ATOM 684 CE1 PHE A 46 -4.128 0.398 -1.182 1.00 0.00 C ATOM 685 CE2 PHE A 46 -2.607 0.571 0.706 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.878 0.123 -0.596 1.00 0.00 C ATOM 0 H PHE A 46 -7.215 3.907 2.833 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.547 1.406 1.596 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.192 3.232 0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.180 3.191 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.072 1.301 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.339 1.693 2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.341 0.051 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.663 0.332 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.131 -0.430 -1.146 1.00 0.00 H new ATOM 696 N GLU A 47 -5.927 1.294 4.478 1.00 0.00 N ATOM 697 CA GLU A 47 -5.478 0.418 5.557 1.00 0.00 C ATOM 698 C GLU A 47 -6.646 -0.413 6.106 1.00 0.00 C ATOM 699 O GLU A 47 -6.467 -1.566 6.498 1.00 0.00 O ATOM 700 CB GLU A 47 -4.825 1.250 6.668 1.00 0.00 C ATOM 701 CG GLU A 47 -3.814 0.419 7.471 1.00 0.00 C ATOM 702 CD GLU A 47 -3.021 1.293 8.438 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.677 1.963 9.264 1.00 0.00 O ATOM 704 OE2 GLU A 47 -1.775 1.296 8.317 1.00 0.00 O ATOM 0 H GLU A 47 -5.814 2.284 4.695 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.736 -0.275 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.323 2.113 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.595 1.634 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.339 -0.358 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.130 -0.084 6.788 1.00 0.00 H new ATOM 711 N THR A 48 -7.849 0.158 6.158 1.00 0.00 N ATOM 712 CA THR A 48 -9.025 -0.579 6.601 1.00 0.00 C ATOM 713 C THR A 48 -9.250 -1.728 5.610 1.00 0.00 C ATOM 714 O THR A 48 -9.327 -2.890 6.009 1.00 0.00 O ATOM 715 CB THR A 48 -10.236 0.361 6.712 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.898 1.489 7.500 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.415 -0.351 7.380 1.00 0.00 C ATOM 0 H THR A 48 -8.032 1.127 5.899 1.00 0.00 H new ATOM 0 HA THR A 48 -8.880 -0.997 7.597 1.00 0.00 H new ATOM 0 HB THR A 48 -10.517 0.668 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.218 2.020 7.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.261 0.332 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.698 -1.221 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.126 -0.672 8.381 1.00 0.00 H new ATOM 725 N LEU A 49 -9.276 -1.413 4.310 1.00 0.00 N ATOM 726 CA LEU A 49 -9.414 -2.437 3.277 1.00 0.00 C ATOM 727 C LEU A 49 -8.273 -3.453 3.402 1.00 0.00 C ATOM 728 O LEU A 49 -8.493 -4.658 3.298 1.00 0.00 O ATOM 729 CB LEU A 49 -9.451 -1.802 1.880 1.00 0.00 C ATOM 730 CG LEU A 49 -10.866 -1.394 1.452 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.413 -0.215 2.260 1.00 0.00 C ATOM 732 CD2 LEU A 49 -10.862 -1.037 -0.039 1.00 0.00 C ATOM 0 H LEU A 49 -9.203 -0.460 3.953 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.359 -2.961 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.805 -0.924 1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.045 -2.507 1.154 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.521 -2.244 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.417 0.029 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.449 -0.483 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.763 0.650 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.867 -0.747 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.176 -0.208 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.541 -1.902 -0.619 1.00 0.00 H new ATOM 744 N SER A 50 -7.056 -2.969 3.658 1.00 0.00 N ATOM 745 CA SER A 50 -5.895 -3.816 3.893 1.00 0.00 C ATOM 746 C SER A 50 -6.248 -4.848 4.957 1.00 0.00 C ATOM 747 O SER A 50 -6.159 -6.045 4.702 1.00 0.00 O ATOM 748 CB SER A 50 -4.674 -2.978 4.280 1.00 0.00 C ATOM 749 OG SER A 50 -4.420 -1.910 3.396 1.00 0.00 O ATOM 0 H SER A 50 -6.852 -1.971 3.707 1.00 0.00 H new ATOM 0 HA SER A 50 -5.627 -4.341 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.820 -2.581 5.284 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.797 -3.624 4.317 1.00 0.00 H new ATOM 0 HG SER A 50 -4.906 -2.057 2.557 1.00 0.00 H new ATOM 755 N ASN A 51 -6.697 -4.397 6.129 1.00 0.00 N ATOM 756 CA ASN A 51 -7.086 -5.299 7.206 1.00 0.00 C ATOM 757 C ASN A 51 -8.203 -6.246 6.761 1.00 0.00 C ATOM 758 O ASN A 51 -8.172 -7.416 7.136 1.00 0.00 O ATOM 759 CB ASN A 51 -7.468 -4.501 8.455 1.00 0.00 C ATOM 760 CG ASN A 51 -6.210 -4.047 9.186 1.00 0.00 C ATOM 761 OD1 ASN A 51 -5.674 -4.783 10.016 1.00 0.00 O ATOM 762 ND2 ASN A 51 -5.689 -2.869 8.864 1.00 0.00 N ATOM 0 H ASN A 51 -6.799 -3.407 6.354 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.231 -5.925 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.068 -3.636 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.081 -5.114 9.115 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.826 -2.555 9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.152 -2.278 8.174 1.00 0.00 H new ATOM 769 N ASP A 52 -9.162 -5.772 5.959 1.00 0.00 N ATOM 770 CA ASP A 52 -10.254 -6.613 5.474 1.00 0.00 C ATOM 771 C ASP A 52 -9.723 -7.791 4.642 1.00 0.00 C ATOM 772 O ASP A 52 -10.139 -8.927 4.855 1.00 0.00 O ATOM 773 CB ASP A 52 -11.260 -5.791 4.649 1.00 0.00 C ATOM 774 CG ASP A 52 -11.942 -4.679 5.445 1.00 0.00 C ATOM 775 OD1 ASP A 52 -12.127 -4.868 6.668 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.289 -3.659 4.811 1.00 0.00 O ATOM 0 H ASP A 52 -9.201 -4.806 5.633 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.768 -7.015 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.744 -5.351 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.022 -6.460 4.250 1.00 0.00 H new ATOM 781 N TYR A 53 -8.821 -7.538 3.686 1.00 0.00 N ATOM 782 CA TYR A 53 -8.276 -8.593 2.822 1.00 0.00 C ATOM 783 C TYR A 53 -7.170 -9.400 3.524 1.00 0.00 C ATOM 784 O TYR A 53 -6.968 -10.577 3.211 1.00 0.00 O ATOM 785 CB TYR A 53 -7.751 -7.965 1.527 1.00 0.00 C ATOM 786 CG TYR A 53 -8.831 -7.604 0.518 1.00 0.00 C ATOM 787 CD1 TYR A 53 -9.295 -8.568 -0.398 1.00 0.00 C ATOM 788 CD2 TYR A 53 -9.341 -6.296 0.456 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.230 -8.212 -1.387 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.294 -5.945 -0.515 1.00 0.00 C ATOM 791 CZ TYR A 53 -10.734 -6.905 -1.442 1.00 0.00 C ATOM 792 OH TYR A 53 -11.631 -6.565 -2.410 1.00 0.00 O ATOM 0 H TYR A 53 -8.452 -6.608 3.490 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.078 -9.294 2.591 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.189 -7.065 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.052 -8.658 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.932 -9.584 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.997 -5.554 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.560 -8.947 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.687 -4.940 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.881 -5.623 -2.308 1.00 0.00 H new ATOM 802 N ALA A 54 -6.438 -8.759 4.439 1.00 0.00 N ATOM 803 CA ALA A 54 -5.382 -9.294 5.294 1.00 0.00 C ATOM 804 C ALA A 54 -4.189 -9.885 4.531 1.00 0.00 C ATOM 805 O ALA A 54 -3.084 -9.348 4.588 1.00 0.00 O ATOM 806 CB ALA A 54 -5.982 -10.314 6.272 1.00 0.00 C ATOM 0 H ALA A 54 -6.584 -7.765 4.613 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.966 -8.450 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.194 -10.713 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.736 -9.826 6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.443 -11.128 5.712 1.00 0.00 H new ATOM 812 N GLY A 55 -4.406 -11.025 3.876 1.00 0.00 N ATOM 813 CA GLY A 55 -3.401 -11.775 3.134 1.00 0.00 C ATOM 814 C GLY A 55 -3.839 -12.091 1.704 1.00 0.00 C ATOM 815 O GLY A 55 -3.007 -12.462 0.880 1.00 0.00 O ATOM 0 H GLY A 55 -5.325 -11.467 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.473 -11.204 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.187 -12.706 3.659 1.00 0.00 H new ATOM 819 N LYS A 56 -5.133 -11.958 1.389 1.00 0.00 N ATOM 820 CA LYS A 56 -5.634 -12.230 0.044 1.00 0.00 C ATOM 821 C LYS A 56 -5.000 -11.269 -0.966 1.00 0.00 C ATOM 822 O LYS A 56 -4.754 -11.629 -2.114 1.00 0.00 O ATOM 823 CB LYS A 56 -7.162 -12.078 0.043 1.00 0.00 C ATOM 824 CG LYS A 56 -7.860 -13.196 0.830 1.00 0.00 C ATOM 825 CD LYS A 56 -8.449 -14.287 -0.079 1.00 0.00 C ATOM 826 CE LYS A 56 -7.395 -14.971 -0.958 1.00 0.00 C ATOM 827 NZ LYS A 56 -7.977 -16.086 -1.723 1.00 0.00 N ATOM 0 H LYS A 56 -5.850 -11.663 2.051 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.369 -13.247 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.429 -11.113 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.524 -12.080 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.147 -13.649 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.657 -12.765 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.942 -15.038 0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.215 -13.846 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.963 -14.243 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.582 -15.341 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.283 -16.430 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.229 -16.858 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.830 -15.759 -2.219 1.00 0.00 H new ATOM 841 N VAL A 57 -4.754 -10.034 -0.526 1.00 0.00 N ATOM 842 CA VAL A 57 -4.169 -8.962 -1.307 1.00 0.00 C ATOM 843 C VAL A 57 -3.026 -8.394 -0.474 1.00 0.00 C ATOM 844 O VAL A 57 -3.173 -8.259 0.742 1.00 0.00 O ATOM 845 CB VAL A 57 -5.254 -7.910 -1.576 1.00 0.00 C ATOM 846 CG1 VAL A 57 -4.734 -6.682 -2.336 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.464 -8.499 -2.312 1.00 0.00 C ATOM 0 H VAL A 57 -4.970 -9.749 0.429 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.787 -9.299 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.571 -7.577 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.551 -5.978 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.947 -6.201 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.333 -6.994 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.204 -7.717 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.144 -8.907 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.905 -9.293 -1.709 1.00 0.00 H new ATOM 857 N ILE A 58 -1.898 -8.070 -1.107 1.00 0.00 N ATOM 858 CA ILE A 58 -0.742 -7.537 -0.405 1.00 0.00 C ATOM 859 C ILE A 58 -0.854 -6.010 -0.477 1.00 0.00 C ATOM 860 O ILE A 58 -0.544 -5.418 -1.510 1.00 0.00 O ATOM 861 CB ILE A 58 0.545 -8.092 -1.050 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.497 -9.616 -1.265 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.797 -7.703 -0.254 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.175 -10.453 -0.023 1.00 0.00 C ATOM 0 H ILE A 58 -1.765 -8.171 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.704 -7.835 0.643 1.00 0.00 H new ATOM 0 HB ILE A 58 0.606 -7.627 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.249 -9.833 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.461 -9.939 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.681 -8.114 -0.742 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.878 -6.617 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.723 -8.102 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.167 -11.510 -0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.932 -10.277 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.804 -10.169 0.364 1.00 0.00 H new ATOM 876 N PHE A 59 -1.339 -5.368 0.591 1.00 0.00 N ATOM 877 CA PHE A 59 -1.499 -3.916 0.623 1.00 0.00 C ATOM 878 C PHE A 59 -0.256 -3.302 1.264 1.00 0.00 C ATOM 879 O PHE A 59 -0.002 -3.521 2.448 1.00 0.00 O ATOM 880 CB PHE A 59 -2.732 -3.512 1.428 1.00 0.00 C ATOM 881 CG PHE A 59 -4.076 -3.599 0.728 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.688 -4.851 0.538 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.841 -2.427 0.563 1.00 0.00 C ATOM 884 CE1 PHE A 59 -6.051 -4.916 0.205 1.00 0.00 C ATOM 885 CE2 PHE A 59 -6.203 -2.497 0.238 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.814 -3.749 0.089 1.00 0.00 C ATOM 0 H PHE A 59 -1.628 -5.838 1.449 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.627 -3.555 -0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.774 -4.138 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.593 -2.485 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.113 -5.758 0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.372 -1.462 0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.515 -5.877 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.777 -1.592 0.103 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.873 -3.813 -0.115 1.00 0.00 H new ATOM 896 N LEU A 60 0.497 -2.518 0.494 1.00 0.00 N ATOM 897 CA LEU A 60 1.721 -1.861 0.932 1.00 0.00 C ATOM 898 C LEU A 60 1.468 -0.349 1.030 1.00 0.00 C ATOM 899 O LEU A 60 0.763 0.202 0.187 1.00 0.00 O ATOM 900 CB LEU A 60 2.830 -2.200 -0.074 1.00 0.00 C ATOM 901 CG LEU A 60 3.086 -3.707 -0.252 1.00 0.00 C ATOM 902 CD1 LEU A 60 4.208 -3.902 -1.274 1.00 0.00 C ATOM 903 CD2 LEU A 60 3.495 -4.407 1.044 1.00 0.00 C ATOM 0 H LEU A 60 0.263 -2.319 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 60 2.033 -2.206 1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.570 -1.771 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.755 -1.722 0.248 1.00 0.00 H new ATOM 0 HG LEU A 60 2.147 -4.150 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.397 -4.967 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.912 -3.464 -2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.115 -3.414 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.660 -5.467 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.414 -3.961 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.703 -4.294 1.784 1.00 0.00 H new ATOM 915 N LYS A 61 2.011 0.325 2.052 1.00 0.00 N ATOM 916 CA LYS A 61 1.805 1.759 2.298 1.00 0.00 C ATOM 917 C LYS A 61 3.144 2.497 2.308 1.00 0.00 C ATOM 918 O LYS A 61 3.771 2.631 3.356 1.00 0.00 O ATOM 919 CB LYS A 61 1.067 1.936 3.632 1.00 0.00 C ATOM 920 CG LYS A 61 -0.375 1.432 3.509 1.00 0.00 C ATOM 921 CD LYS A 61 -1.156 1.436 4.831 1.00 0.00 C ATOM 922 CE LYS A 61 -1.199 2.824 5.483 1.00 0.00 C ATOM 923 NZ LYS A 61 -0.080 3.025 6.421 1.00 0.00 N ATOM 0 H LYS A 61 2.616 -0.118 2.743 1.00 0.00 H new ATOM 0 HA LYS A 61 1.200 2.186 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.586 1.388 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.069 2.987 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.904 2.051 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.361 0.417 3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.174 1.092 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.699 0.728 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.166 3.590 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.144 2.947 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.423 2.925 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.658 2.315 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.316 3.977 6.290 1.00 0.00 H new ATOM 937 N VAL A 62 3.590 2.980 1.146 1.00 0.00 N ATOM 938 CA VAL A 62 4.901 3.600 1.003 1.00 0.00 C ATOM 939 C VAL A 62 4.834 5.130 1.080 1.00 0.00 C ATOM 940 O VAL A 62 4.203 5.783 0.247 1.00 0.00 O ATOM 941 CB VAL A 62 5.543 3.134 -0.317 1.00 0.00 C ATOM 942 CG1 VAL A 62 6.854 3.879 -0.593 1.00 0.00 C ATOM 943 CG2 VAL A 62 5.890 1.642 -0.227 1.00 0.00 C ATOM 0 H VAL A 62 3.050 2.950 0.281 1.00 0.00 H new ATOM 0 HA VAL A 62 5.523 3.282 1.840 1.00 0.00 H new ATOM 0 HB VAL A 62 4.825 3.333 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.282 3.527 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.657 4.949 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.557 3.692 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.344 1.317 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.591 1.480 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.982 1.067 -0.045 1.00 0.00 H new ATOM 953 N ASP A 63 5.546 5.691 2.066 1.00 0.00 N ATOM 954 CA ASP A 63 5.751 7.125 2.203 1.00 0.00 C ATOM 955 C ASP A 63 6.792 7.529 1.159 1.00 0.00 C ATOM 956 O ASP A 63 7.984 7.297 1.358 1.00 0.00 O ATOM 957 CB ASP A 63 6.231 7.490 3.617 1.00 0.00 C ATOM 958 CG ASP A 63 5.059 7.757 4.555 1.00 0.00 C ATOM 959 OD1 ASP A 63 4.529 6.769 5.103 1.00 0.00 O ATOM 960 OD2 ASP A 63 4.706 8.949 4.694 1.00 0.00 O ATOM 0 H ASP A 63 6.000 5.146 2.799 1.00 0.00 H new ATOM 0 HA ASP A 63 4.813 7.657 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.840 6.679 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.868 8.373 3.569 1.00 0.00 H new ATOM 965 N VAL A 64 6.340 8.127 0.054 1.00 0.00 N ATOM 966 CA VAL A 64 7.180 8.569 -1.063 1.00 0.00 C ATOM 967 C VAL A 64 8.435 9.296 -0.567 1.00 0.00 C ATOM 968 O VAL A 64 9.531 9.054 -1.067 1.00 0.00 O ATOM 969 CB VAL A 64 6.332 9.457 -1.995 1.00 0.00 C ATOM 970 CG1 VAL A 64 7.174 10.231 -3.016 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.327 8.580 -2.749 1.00 0.00 C ATOM 0 H VAL A 64 5.350 8.323 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 64 7.533 7.701 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 64 5.827 10.190 -1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.520 10.837 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.877 10.879 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.725 9.528 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.724 9.203 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.863 7.837 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.677 8.075 -2.035 1.00 0.00 H new ATOM 981 N ASP A 65 8.262 10.169 0.430 1.00 0.00 N ATOM 982 CA ASP A 65 9.308 10.954 1.076 1.00 0.00 C ATOM 983 C ASP A 65 10.529 10.097 1.412 1.00 0.00 C ATOM 984 O ASP A 65 11.662 10.548 1.272 1.00 0.00 O ATOM 985 CB ASP A 65 8.772 11.545 2.388 1.00 0.00 C ATOM 986 CG ASP A 65 7.640 12.535 2.163 1.00 0.00 C ATOM 987 OD1 ASP A 65 6.649 12.122 1.522 1.00 0.00 O ATOM 988 OD2 ASP A 65 7.771 13.682 2.640 1.00 0.00 O ATOM 0 H ASP A 65 7.340 10.354 0.825 1.00 0.00 H new ATOM 0 HA ASP A 65 9.603 11.740 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.421 10.737 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.585 12.042 2.917 1.00 0.00 H new ATOM 993 N ALA A 66 10.288 8.877 1.902 1.00 0.00 N ATOM 994 CA ALA A 66 11.339 7.982 2.346 1.00 0.00 C ATOM 995 C ALA A 66 12.060 7.340 1.162 1.00 0.00 C ATOM 996 O ALA A 66 13.217 7.654 0.887 1.00 0.00 O ATOM 997 CB ALA A 66 10.733 6.920 3.268 1.00 0.00 C ATOM 0 H ALA A 66 9.350 8.489 1.999 1.00 0.00 H new ATOM 0 HA ALA A 66 12.086 8.554 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.517 6.242 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.275 7.405 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.975 6.356 2.724 1.00 0.00 H new ATOM 1003 N VAL A 67 11.388 6.435 0.445 1.00 0.00 N ATOM 1004 CA VAL A 67 12.035 5.679 -0.625 1.00 0.00 C ATOM 1005 C VAL A 67 12.053 6.475 -1.932 1.00 0.00 C ATOM 1006 O VAL A 67 11.575 6.003 -2.964 1.00 0.00 O ATOM 1007 CB VAL A 67 11.410 4.283 -0.779 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.691 3.420 0.456 1.00 0.00 C ATOM 1009 CG2 VAL A 67 9.904 4.318 -1.037 1.00 0.00 C ATOM 0 H VAL A 67 10.403 6.211 0.586 1.00 0.00 H new ATOM 0 HA VAL A 67 13.077 5.518 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 67 11.882 3.844 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.239 2.437 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.768 3.310 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.267 3.899 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.528 3.300 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.403 4.811 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.705 4.869 -1.956 1.00 0.00 H new ATOM 1019 N ALA A 68 12.682 7.653 -1.901 1.00 0.00 N ATOM 1020 CA ALA A 68 12.816 8.537 -3.053 1.00 0.00 C ATOM 1021 C ALA A 68 13.280 7.763 -4.293 1.00 0.00 C ATOM 1022 O ALA A 68 12.743 7.951 -5.381 1.00 0.00 O ATOM 1023 CB ALA A 68 13.804 9.656 -2.714 1.00 0.00 C ATOM 0 H ALA A 68 13.119 8.022 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 68 11.842 8.969 -3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.909 10.321 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.434 10.222 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.774 9.223 -2.470 1.00 0.00 H new ATOM 1029 N ALA A 69 14.256 6.866 -4.114 1.00 0.00 N ATOM 1030 CA ALA A 69 14.801 6.034 -5.178 1.00 0.00 C ATOM 1031 C ALA A 69 13.708 5.183 -5.835 1.00 0.00 C ATOM 1032 O ALA A 69 13.588 5.148 -7.059 1.00 0.00 O ATOM 1033 CB ALA A 69 15.900 5.137 -4.600 1.00 0.00 C ATOM 0 H ALA A 69 14.693 6.699 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 69 15.221 6.680 -5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.313 4.511 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.691 5.757 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.479 4.504 -3.819 1.00 0.00 H new ATOM 1039 N VAL A 70 12.907 4.487 -5.023 1.00 0.00 N ATOM 1040 CA VAL A 70 11.840 3.641 -5.540 1.00 0.00 C ATOM 1041 C VAL A 70 10.801 4.535 -6.206 1.00 0.00 C ATOM 1042 O VAL A 70 10.333 4.228 -7.297 1.00 0.00 O ATOM 1043 CB VAL A 70 11.208 2.797 -4.420 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.153 1.835 -4.985 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.266 1.955 -3.702 1.00 0.00 C ATOM 0 H VAL A 70 12.981 4.496 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 70 12.247 2.942 -6.270 1.00 0.00 H new ATOM 0 HB VAL A 70 10.746 3.496 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.722 1.250 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.367 2.406 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.621 1.165 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.792 1.368 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.744 1.285 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.017 2.612 -3.262 1.00 0.00 H new ATOM 1055 N ALA A 71 10.446 5.641 -5.551 1.00 0.00 N ATOM 1056 CA ALA A 71 9.466 6.582 -6.065 1.00 0.00 C ATOM 1057 C ALA A 71 9.850 7.059 -7.467 1.00 0.00 C ATOM 1058 O ALA A 71 9.056 6.924 -8.397 1.00 0.00 O ATOM 1059 CB ALA A 71 9.324 7.756 -5.093 1.00 0.00 C ATOM 0 H ALA A 71 10.835 5.905 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 71 8.501 6.083 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.589 8.461 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.996 7.386 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.286 8.257 -4.985 1.00 0.00 H new ATOM 1065 N GLU A 72 11.060 7.602 -7.645 1.00 0.00 N ATOM 1066 CA GLU A 72 11.473 8.084 -8.957 1.00 0.00 C ATOM 1067 C GLU A 72 11.552 6.913 -9.943 1.00 0.00 C ATOM 1068 O GLU A 72 11.057 7.034 -11.061 1.00 0.00 O ATOM 1069 CB GLU A 72 12.776 8.896 -8.868 1.00 0.00 C ATOM 1070 CG GLU A 72 14.021 8.090 -8.480 1.00 0.00 C ATOM 1071 CD GLU A 72 15.213 9.003 -8.216 1.00 0.00 C ATOM 1072 OE1 GLU A 72 15.763 9.519 -9.213 1.00 0.00 O ATOM 1073 OE2 GLU A 72 15.547 9.175 -7.023 1.00 0.00 O ATOM 0 H GLU A 72 11.756 7.715 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 72 10.722 8.775 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.956 9.371 -9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.638 9.695 -8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.810 7.497 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.267 7.390 -9.278 1.00 0.00 H new ATOM 1080 N ALA A 73 12.118 5.769 -9.539 1.00 0.00 N ATOM 1081 CA ALA A 73 12.199 4.599 -10.412 1.00 0.00 C ATOM 1082 C ALA A 73 10.804 4.184 -10.900 1.00 0.00 C ATOM 1083 O ALA A 73 10.626 3.845 -12.066 1.00 0.00 O ATOM 1084 CB ALA A 73 12.877 3.445 -9.669 1.00 0.00 C ATOM 0 H ALA A 73 12.525 5.632 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 73 12.796 4.855 -11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.935 2.575 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.882 3.744 -9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.297 3.193 -8.781 1.00 0.00 H new ATOM 1090 N ALA A 74 9.812 4.230 -10.007 1.00 0.00 N ATOM 1091 CA ALA A 74 8.425 3.894 -10.294 1.00 0.00 C ATOM 1092 C ALA A 74 7.673 5.077 -10.934 1.00 0.00 C ATOM 1093 O ALA A 74 6.463 4.994 -11.128 1.00 0.00 O ATOM 1094 CB ALA A 74 7.766 3.430 -8.990 1.00 0.00 C ATOM 0 H ALA A 74 9.961 4.511 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 74 8.385 3.088 -11.027 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.724 3.172 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.292 2.555 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.813 4.232 -8.253 1.00 0.00 H new ATOM 1100 N GLY A 75 8.355 6.179 -11.266 1.00 0.00 N ATOM 1101 CA GLY A 75 7.755 7.347 -11.903 1.00 0.00 C ATOM 1102 C GLY A 75 6.648 7.979 -11.057 1.00 0.00 C ATOM 1103 O GLY A 75 5.730 8.610 -11.589 1.00 0.00 O ATOM 0 H GLY A 75 9.355 6.282 -11.095 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.530 8.090 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.346 7.058 -12.871 1.00 0.00 H new ATOM 1107 N ILE A 76 6.733 7.838 -9.731 1.00 0.00 N ATOM 1108 CA ILE A 76 5.730 8.395 -8.842 1.00 0.00 C ATOM 1109 C ILE A 76 5.831 9.911 -8.942 1.00 0.00 C ATOM 1110 O ILE A 76 6.874 10.501 -8.668 1.00 0.00 O ATOM 1111 CB ILE A 76 5.916 7.909 -7.401 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.899 6.375 -7.336 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.817 8.508 -6.514 1.00 0.00 C ATOM 1114 CD1 ILE A 76 4.643 5.696 -7.882 1.00 0.00 C ATOM 0 H ILE A 76 7.488 7.342 -9.258 1.00 0.00 H new ATOM 0 HA ILE A 76 4.736 8.062 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 76 6.887 8.242 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.761 5.998 -7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.029 6.074 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.949 8.163 -5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.880 9.596 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.841 8.192 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.742 4.615 -7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.773 6.033 -7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.517 5.956 -8.933 1.00 0.00 H new ATOM 1126 N THR A 77 4.728 10.514 -9.364 1.00 0.00 N ATOM 1127 CA THR A 77 4.614 11.932 -9.646 1.00 0.00 C ATOM 1128 C THR A 77 3.292 12.439 -9.081 1.00 0.00 C ATOM 1129 O THR A 77 3.267 13.164 -8.089 1.00 0.00 O ATOM 1130 CB THR A 77 4.697 12.108 -11.172 1.00 0.00 C ATOM 1131 OG1 THR A 77 4.021 11.032 -11.806 1.00 0.00 O ATOM 1132 CG2 THR A 77 6.152 12.121 -11.652 1.00 0.00 C ATOM 0 H THR A 77 3.858 10.007 -9.524 1.00 0.00 H new ATOM 0 HA THR A 77 5.413 12.509 -9.182 1.00 0.00 H new ATOM 0 HB THR A 77 4.234 13.061 -11.428 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.613 10.252 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.177 12.247 -12.734 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.684 12.946 -11.178 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.632 11.179 -11.385 1.00 0.00 H new ATOM 1140 N ALA A 78 2.184 12.039 -9.708 1.00 0.00 N ATOM 1141 CA ALA A 78 0.843 12.442 -9.305 1.00 0.00 C ATOM 1142 C ALA A 78 0.403 11.698 -8.036 1.00 0.00 C ATOM 1143 O ALA A 78 -0.524 10.889 -8.073 1.00 0.00 O ATOM 1144 CB ALA A 78 -0.117 12.190 -10.473 1.00 0.00 C ATOM 0 H ALA A 78 2.197 11.419 -10.518 1.00 0.00 H new ATOM 0 HA ALA A 78 0.834 13.504 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.126 12.487 -10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.201 12.773 -11.337 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.110 11.130 -10.728 1.00 0.00 H new ATOM 1150 N MET A 79 1.073 11.954 -6.909 1.00 0.00 N ATOM 1151 CA MET A 79 0.713 11.342 -5.637 1.00 0.00 C ATOM 1152 C MET A 79 -0.626 11.943 -5.162 1.00 0.00 C ATOM 1153 O MET A 79 -0.824 13.146 -5.339 1.00 0.00 O ATOM 1154 CB MET A 79 1.840 11.523 -4.600 1.00 0.00 C ATOM 1155 CG MET A 79 1.958 12.913 -3.955 1.00 0.00 C ATOM 1156 SD MET A 79 2.477 14.278 -5.030 1.00 0.00 S ATOM 1157 CE MET A 79 1.510 15.625 -4.316 1.00 0.00 C ATOM 0 H MET A 79 1.872 12.586 -6.857 1.00 0.00 H new ATOM 0 HA MET A 79 0.585 10.267 -5.761 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.696 10.789 -3.807 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.789 11.288 -5.082 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.990 13.170 -3.525 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.666 12.844 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.711 16.547 -4.862 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.449 15.387 -4.384 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.786 15.756 -3.270 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.553 11.185 -4.551 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.514 9.753 -4.271 1.00 0.00 C ATOM 1169 C PRO A 80 -1.415 8.904 -5.534 1.00 0.00 C ATOM 1170 O PRO A 80 -2.143 9.147 -6.491 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.843 9.448 -3.578 1.00 0.00 C ATOM 1172 CG PRO A 80 -3.182 10.755 -2.875 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.729 11.770 -3.923 1.00 0.00 C ATOM 0 HA PRO A 80 -0.635 9.515 -3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.614 9.165 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.748 8.624 -2.871 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.245 10.840 -2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.647 10.868 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.514 11.954 -4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.492 12.729 -3.463 1.00 0.00 H new ATOM 1181 N THR A 81 -0.519 7.918 -5.552 1.00 0.00 N ATOM 1182 CA THR A 81 -0.334 7.031 -6.686 1.00 0.00 C ATOM 1183 C THR A 81 -0.431 5.590 -6.195 1.00 0.00 C ATOM 1184 O THR A 81 0.450 5.097 -5.493 1.00 0.00 O ATOM 1185 CB THR A 81 1.011 7.337 -7.352 1.00 0.00 C ATOM 1186 OG1 THR A 81 1.018 8.636 -7.914 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.315 6.344 -8.475 1.00 0.00 C ATOM 0 H THR A 81 0.102 7.715 -4.769 1.00 0.00 H new ATOM 0 HA THR A 81 -1.108 7.182 -7.439 1.00 0.00 H new ATOM 0 HB THR A 81 1.767 7.260 -6.571 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.180 9.093 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.276 6.589 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.353 5.334 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.533 6.401 -9.232 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.510 4.906 -6.569 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.742 3.521 -6.220 1.00 0.00 C ATOM 1197 C PHE A 82 -1.278 2.674 -7.398 1.00 0.00 C ATOM 1198 O PHE A 82 -1.720 2.885 -8.525 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.222 3.321 -5.910 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.689 4.205 -4.769 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.514 3.784 -3.438 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.162 5.505 -5.034 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.793 4.665 -2.380 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.454 6.379 -3.976 1.00 0.00 C ATOM 1205 CZ PHE A 82 -4.216 5.977 -2.650 1.00 0.00 C ATOM 0 H PHE A 82 -2.256 5.313 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.187 3.225 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.811 3.538 -6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.401 2.276 -5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.165 2.783 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.300 5.830 -6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.682 4.333 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.861 7.359 -4.180 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.358 6.676 -1.839 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.362 1.745 -7.148 1.00 0.00 N ATOM 1216 CA HIS A 83 0.222 0.870 -8.152 1.00 0.00 C ATOM 1217 C HIS A 83 -0.154 -0.559 -7.860 1.00 0.00 C ATOM 1218 O HIS A 83 -0.160 -0.968 -6.700 1.00 0.00 O ATOM 1219 CB HIS A 83 1.747 1.018 -8.102 1.00 0.00 C ATOM 1220 CG HIS A 83 2.360 2.022 -9.036 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.696 1.913 -9.424 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.832 3.171 -9.559 1.00 0.00 C ATOM 1223 CE1 HIS A 83 3.909 2.990 -10.185 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.825 3.771 -10.306 1.00 0.00 N ATOM 0 H HIS A 83 0.004 1.577 -6.211 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.149 1.140 -9.141 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.029 1.285 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.190 0.044 -8.311 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.827 3.539 -9.414 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.856 3.209 -10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.750 4.635 -10.843 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.458 -1.312 -8.916 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.785 -2.706 -8.798 1.00 0.00 C ATOM 1234 C VAL A 84 0.282 -3.513 -9.485 1.00 0.00 C ATOM 1235 O VAL A 84 0.474 -3.384 -10.695 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.141 -2.993 -9.432 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.359 -4.475 -9.622 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.194 -2.535 -8.449 1.00 0.00 C ATOM 0 H VAL A 84 -0.481 -0.959 -9.873 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.837 -2.977 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.191 -2.490 -10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.335 -4.644 -10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.582 -4.877 -10.272 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.317 -4.976 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.185 -2.722 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.082 -3.084 -7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.076 -1.468 -8.260 1.00 0.00 H new ATOM 1248 N TYR A 85 0.900 -4.397 -8.708 1.00 0.00 N ATOM 1249 CA TYR A 85 1.829 -5.366 -9.222 1.00 0.00 C ATOM 1250 C TYR A 85 1.232 -6.747 -8.974 1.00 0.00 C ATOM 1251 O TYR A 85 1.151 -7.180 -7.827 1.00 0.00 O ATOM 1252 CB TYR A 85 3.215 -5.203 -8.572 1.00 0.00 C ATOM 1253 CG TYR A 85 3.898 -3.878 -8.855 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.667 -2.770 -8.019 1.00 0.00 C ATOM 1255 CD2 TYR A 85 4.816 -3.767 -9.916 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.296 -1.542 -8.290 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.411 -2.526 -10.207 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.096 -1.398 -9.433 1.00 0.00 C ATOM 1259 OH TYR A 85 5.530 -0.165 -9.819 1.00 0.00 O ATOM 0 H TYR A 85 0.761 -4.452 -7.699 1.00 0.00 H new ATOM 0 HA TYR A 85 1.985 -5.223 -10.291 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.111 -5.319 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.861 -6.010 -8.919 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.007 -2.863 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.064 -4.636 -10.508 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.163 -0.708 -7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.110 -2.441 -11.026 1.00 0.00 H new ATOM 0 HH TYR A 85 4.945 0.522 -9.437 1.00 0.00 H new ATOM 1269 N LYS A 86 0.748 -7.429 -10.016 1.00 0.00 N ATOM 1270 CA LYS A 86 0.245 -8.787 -9.840 1.00 0.00 C ATOM 1271 C LYS A 86 1.455 -9.702 -9.979 1.00 0.00 C ATOM 1272 O LYS A 86 2.235 -9.517 -10.915 1.00 0.00 O ATOM 1273 CB LYS A 86 -0.864 -9.130 -10.840 1.00 0.00 C ATOM 1274 CG LYS A 86 -2.144 -8.367 -10.468 1.00 0.00 C ATOM 1275 CD LYS A 86 -3.384 -8.832 -11.245 1.00 0.00 C ATOM 1276 CE LYS A 86 -3.842 -10.261 -10.905 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.102 -10.453 -9.465 1.00 0.00 N ATOM 0 H LYS A 86 0.695 -7.070 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.224 -8.907 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.551 -8.866 -11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.053 -10.203 -10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.329 -8.484 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.989 -7.304 -10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.204 -8.142 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.173 -8.775 -12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.748 -10.490 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.079 -10.969 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.456 -11.417 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.221 -10.312 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.813 -9.765 -9.146 1.00 0.00 H new ATOM 1291 N ASP A 87 1.635 -10.624 -9.026 1.00 0.00 N ATOM 1292 CA ASP A 87 2.778 -11.531 -8.885 1.00 0.00 C ATOM 1293 C ASP A 87 3.986 -10.696 -8.460 1.00 0.00 C ATOM 1294 O ASP A 87 4.468 -10.779 -7.336 1.00 0.00 O ATOM 1295 CB ASP A 87 3.072 -12.321 -10.178 1.00 0.00 C ATOM 1296 CG ASP A 87 4.425 -13.015 -10.106 1.00 0.00 C ATOM 1297 OD1 ASP A 87 4.659 -13.677 -9.076 1.00 0.00 O ATOM 1298 OD2 ASP A 87 5.207 -12.843 -11.065 1.00 0.00 O ATOM 0 H ASP A 87 0.944 -10.765 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 87 2.547 -12.283 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.289 -13.062 -10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.053 -11.645 -11.032 1.00 0.00 H new ATOM 1303 N GLY A 88 4.430 -9.871 -9.399 1.00 0.00 N ATOM 1304 CA GLY A 88 5.516 -8.916 -9.284 1.00 0.00 C ATOM 1305 C GLY A 88 5.684 -8.144 -10.596 1.00 0.00 C ATOM 1306 O GLY A 88 6.781 -7.682 -10.898 1.00 0.00 O ATOM 0 H GLY A 88 4.007 -9.853 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.314 -8.222 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.442 -9.436 -9.038 1.00 0.00 H new ATOM 1310 N VAL A 89 4.605 -7.999 -11.377 1.00 0.00 N ATOM 1311 CA VAL A 89 4.594 -7.320 -12.664 1.00 0.00 C ATOM 1312 C VAL A 89 3.518 -6.242 -12.594 1.00 0.00 C ATOM 1313 O VAL A 89 2.397 -6.527 -12.169 1.00 0.00 O ATOM 1314 CB VAL A 89 4.300 -8.335 -13.784 1.00 0.00 C ATOM 1315 CG1 VAL A 89 4.305 -7.653 -15.158 1.00 0.00 C ATOM 1316 CG2 VAL A 89 5.338 -9.468 -13.787 1.00 0.00 C ATOM 0 H VAL A 89 3.690 -8.366 -11.115 1.00 0.00 H new ATOM 0 HA VAL A 89 5.560 -6.865 -12.884 1.00 0.00 H new ATOM 0 HB VAL A 89 3.311 -8.751 -13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.095 -8.392 -15.932 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.541 -6.876 -15.181 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.283 -7.206 -15.339 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.107 -10.171 -14.587 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.332 -9.050 -13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.312 -9.988 -12.829 1.00 0.00 H new ATOM 1326 N LYS A 90 3.862 -5.006 -12.977 1.00 0.00 N ATOM 1327 CA LYS A 90 2.939 -3.881 -12.943 1.00 0.00 C ATOM 1328 C LYS A 90 1.761 -4.194 -13.869 1.00 0.00 C ATOM 1329 O LYS A 90 1.926 -4.237 -15.086 1.00 0.00 O ATOM 1330 CB LYS A 90 3.668 -2.591 -13.348 1.00 0.00 C ATOM 1331 CG LYS A 90 2.940 -1.363 -12.786 1.00 0.00 C ATOM 1332 CD LYS A 90 3.701 -0.061 -13.074 1.00 0.00 C ATOM 1333 CE LYS A 90 3.840 0.250 -14.570 1.00 0.00 C ATOM 1334 NZ LYS A 90 2.541 0.205 -15.264 1.00 0.00 N ATOM 0 H LYS A 90 4.792 -4.765 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 90 2.556 -3.725 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.693 -2.614 -12.978 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.723 -2.523 -14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.942 -1.303 -13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.813 -1.478 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.187 0.767 -12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.695 -0.125 -12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.285 1.237 -14.696 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.521 -0.467 -15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.616 0.704 -16.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.272 -0.785 -15.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.817 0.664 -14.675 1.00 0.00 H new ATOM 1348 N ALA A 91 0.585 -4.444 -13.291 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.601 -4.839 -14.036 1.00 0.00 C ATOM 1350 C ALA A 91 -1.468 -3.641 -14.388 1.00 0.00 C ATOM 1351 O ALA A 91 -2.040 -3.575 -15.473 1.00 0.00 O ATOM 1352 CB ALA A 91 -1.426 -5.810 -13.191 1.00 0.00 C ATOM 0 H ALA A 91 0.433 -4.376 -12.285 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.273 -5.311 -14.962 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.316 -6.109 -13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.828 -6.692 -12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.723 -5.322 -12.263 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.602 -2.723 -13.434 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.477 -1.571 -13.524 1.00 0.00 C ATOM 1360 C ASP A 92 -1.989 -0.548 -12.501 1.00 0.00 C ATOM 1361 O ASP A 92 -1.129 -0.877 -11.682 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.903 -2.049 -13.222 1.00 0.00 C ATOM 1363 CG ASP A 92 -5.002 -1.035 -13.503 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.690 0.052 -14.034 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -6.155 -1.392 -13.179 1.00 0.00 O ATOM 0 H ASP A 92 -1.087 -2.767 -12.554 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.470 -1.108 -14.511 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.100 -2.946 -13.809 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.957 -2.337 -12.172 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.522 0.673 -12.524 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.155 1.731 -11.602 1.00 0.00 C ATOM 1372 C ASP A 93 -3.326 2.713 -11.559 1.00 0.00 C ATOM 1373 O ASP A 93 -4.230 2.623 -12.388 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.901 2.487 -12.083 1.00 0.00 C ATOM 1375 CG ASP A 93 0.307 1.608 -12.386 1.00 0.00 C ATOM 1376 OD1 ASP A 93 0.887 1.066 -11.423 1.00 0.00 O ATOM 1377 OD2 ASP A 93 0.643 1.502 -13.586 1.00 0.00 O ATOM 0 H ASP A 93 -3.234 0.953 -13.199 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.937 1.302 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.157 3.049 -12.981 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.620 3.214 -11.321 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.302 3.675 -10.635 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.361 4.653 -10.461 1.00 0.00 C ATOM 1384 C LEU A 94 -3.816 5.817 -9.633 1.00 0.00 C ATOM 1385 O LEU A 94 -3.325 5.606 -8.528 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.539 3.919 -9.805 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.703 4.759 -9.268 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -6.447 5.342 -7.875 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.110 5.827 -10.287 1.00 0.00 C ATOM 0 H LEU A 94 -2.530 3.793 -9.979 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.713 5.084 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.943 3.217 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.145 3.328 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.547 4.082 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.313 5.924 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.277 4.531 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.568 5.986 -7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.938 6.414 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.262 6.483 -10.485 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.420 5.346 -11.214 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.875 7.041 -10.168 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.358 8.249 -9.538 1.00 0.00 C ATOM 1403 C VAL A 95 -4.477 9.145 -8.992 1.00 0.00 C ATOM 1404 O VAL A 95 -5.647 9.004 -9.358 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.499 9.027 -10.554 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.240 8.236 -10.927 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.263 9.403 -11.832 1.00 0.00 C ATOM 0 H VAL A 95 -4.298 7.218 -11.079 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.748 7.948 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.220 9.955 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.651 8.807 -11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.645 8.056 -10.032 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.527 7.282 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.601 9.949 -12.504 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.615 8.497 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.116 10.031 -11.575 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.093 10.093 -8.133 1.00 0.00 N ATOM 1418 CA GLY A 96 -4.976 11.089 -7.553 1.00 0.00 C ATOM 1419 C GLY A 96 -5.821 10.505 -6.425 1.00 0.00 C ATOM 1420 O GLY A 96 -5.761 9.312 -6.127 1.00 0.00 O ATOM 0 H GLY A 96 -3.128 10.185 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.385 11.921 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.630 11.491 -8.327 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.659 11.345 -5.811 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.547 10.954 -4.719 1.00 0.00 C ATOM 1426 C ALA A 97 -8.774 10.192 -5.247 1.00 0.00 C ATOM 1427 O ALA A 97 -9.886 10.347 -4.744 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.960 12.223 -3.963 1.00 0.00 C ATOM 0 H ALA A 97 -6.739 12.330 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.027 10.276 -4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.625 11.957 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.072 12.716 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.477 12.900 -4.643 1.00 0.00 H new ATOM 1434 N SER A 98 -8.572 9.332 -6.244 1.00 0.00 N ATOM 1435 CA SER A 98 -9.605 8.589 -6.942 1.00 0.00 C ATOM 1436 C SER A 98 -10.013 7.358 -6.126 1.00 0.00 C ATOM 1437 O SER A 98 -9.928 6.230 -6.606 1.00 0.00 O ATOM 1438 CB SER A 98 -9.022 8.220 -8.311 1.00 0.00 C ATOM 1439 OG SER A 98 -8.399 9.350 -8.901 1.00 0.00 O ATOM 0 H SER A 98 -7.638 9.129 -6.599 1.00 0.00 H new ATOM 0 HA SER A 98 -10.514 9.175 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.297 7.413 -8.200 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.813 7.850 -8.963 1.00 0.00 H new ATOM 0 HG SER A 98 -7.445 9.167 -9.032 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.465 7.579 -4.888 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.790 6.528 -3.929 1.00 0.00 C ATOM 1447 C GLN A 99 -11.730 5.465 -4.516 1.00 0.00 C ATOM 1448 O GLN A 99 -11.482 4.271 -4.372 1.00 0.00 O ATOM 1449 CB GLN A 99 -11.400 7.164 -2.673 1.00 0.00 C ATOM 1450 CG GLN A 99 -11.277 6.209 -1.480 1.00 0.00 C ATOM 1451 CD GLN A 99 -12.202 6.611 -0.339 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -13.055 5.832 0.074 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -12.053 7.829 0.172 1.00 0.00 N ATOM 0 H GLN A 99 -10.618 8.518 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.867 6.009 -3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.893 8.103 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.449 7.402 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.514 5.194 -1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.246 6.199 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.333 8.452 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.658 8.141 0.931 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.825 5.878 -5.153 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.788 4.954 -5.749 1.00 0.00 C ATOM 1464 C ASP A 100 -13.086 4.037 -6.751 1.00 0.00 C ATOM 1465 O ASP A 100 -13.260 2.817 -6.736 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.906 5.751 -6.432 1.00 0.00 C ATOM 1467 CG ASP A 100 -15.574 6.715 -5.458 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -14.918 7.736 -5.151 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -16.701 6.403 -5.022 1.00 0.00 O ATOM 0 H ASP A 100 -13.069 6.861 -5.270 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.226 4.332 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.496 6.308 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.650 5.065 -6.836 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.270 4.644 -7.612 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.506 3.939 -8.625 1.00 0.00 C ATOM 1476 C LYS A 101 -10.547 2.966 -7.930 1.00 0.00 C ATOM 1477 O LYS A 101 -10.427 1.818 -8.343 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.767 4.966 -9.498 1.00 0.00 C ATOM 1479 CG LYS A 101 -10.674 4.585 -10.982 1.00 0.00 C ATOM 1480 CD LYS A 101 -9.974 3.242 -11.225 1.00 0.00 C ATOM 1481 CE LYS A 101 -9.723 3.000 -12.718 1.00 0.00 C ATOM 1482 NZ LYS A 101 -8.644 3.855 -13.245 1.00 0.00 N ATOM 0 H LYS A 101 -12.123 5.653 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.156 3.357 -9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.273 5.928 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.759 5.100 -9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.679 4.543 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.137 5.368 -11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.026 3.223 -10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.585 2.434 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.465 1.953 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.640 3.190 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.416 3.566 -14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.955 4.847 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.799 3.756 -12.647 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.873 3.416 -6.865 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.966 2.576 -6.094 1.00 0.00 C ATOM 1498 C LEU A 102 -9.710 1.337 -5.592 1.00 0.00 C ATOM 1499 O LEU A 102 -9.275 0.217 -5.850 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.366 3.376 -4.927 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.424 2.572 -4.024 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -6.264 1.967 -4.817 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.909 3.530 -2.945 1.00 0.00 C ATOM 0 H LEU A 102 -9.945 4.373 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.145 2.248 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.822 4.230 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.179 3.774 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.957 1.734 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.617 1.404 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.657 1.300 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.690 2.765 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.232 2.996 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.377 4.357 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.751 3.919 -2.372 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.831 1.524 -4.891 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.622 0.416 -4.381 1.00 0.00 C ATOM 1517 C LYS A 103 -11.996 -0.536 -5.524 1.00 0.00 C ATOM 1518 O LYS A 103 -11.812 -1.750 -5.407 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.863 0.964 -3.663 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.479 1.696 -2.366 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.692 1.973 -1.464 1.00 0.00 C ATOM 1522 CE LYS A 103 -14.704 2.953 -2.069 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.126 4.295 -2.257 1.00 0.00 N ATOM 0 H LYS A 103 -11.209 2.444 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.039 -0.156 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.397 1.647 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.544 0.145 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.751 1.098 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.993 2.639 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.196 1.031 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.341 2.370 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.051 2.570 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.576 3.021 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.857 4.940 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.772 4.651 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.341 4.243 -2.937 1.00 0.00 H new ATOM 1537 N ALA A 104 -12.488 0.012 -6.641 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.832 -0.787 -7.810 1.00 0.00 C ATOM 1539 C ALA A 104 -11.618 -1.600 -8.276 1.00 0.00 C ATOM 1540 O ALA A 104 -11.742 -2.793 -8.551 1.00 0.00 O ATOM 1541 CB ALA A 104 -13.354 0.119 -8.928 1.00 0.00 C ATOM 0 H ALA A 104 -12.656 1.012 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.622 -1.489 -7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.609 -0.486 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.242 0.649 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.584 0.841 -9.201 1.00 0.00 H new ATOM 1547 N LEU A 105 -10.438 -0.975 -8.359 1.00 0.00 N ATOM 1548 CA LEU A 105 -9.228 -1.677 -8.760 1.00 0.00 C ATOM 1549 C LEU A 105 -8.905 -2.794 -7.774 1.00 0.00 C ATOM 1550 O LEU A 105 -8.599 -3.900 -8.210 1.00 0.00 O ATOM 1551 CB LEU A 105 -8.032 -0.725 -8.903 1.00 0.00 C ATOM 1552 CG LEU A 105 -8.034 0.134 -10.180 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -6.594 0.578 -10.459 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -8.574 -0.587 -11.420 1.00 0.00 C ATOM 0 H LEU A 105 -10.302 0.015 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.416 -2.114 -9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.008 -0.063 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.114 -1.313 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.703 0.974 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.570 1.189 -11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.223 1.161 -9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.963 -0.300 -10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.541 0.087 -12.276 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.962 -1.465 -11.626 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -9.604 -0.897 -11.241 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.958 -2.544 -6.463 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.687 -3.613 -5.507 1.00 0.00 C ATOM 1568 C VAL A 106 -9.620 -4.785 -5.806 1.00 0.00 C ATOM 1569 O VAL A 106 -9.163 -5.913 -5.971 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.848 -3.132 -4.057 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.617 -4.301 -3.091 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.828 -2.042 -3.713 1.00 0.00 C ATOM 0 H VAL A 106 -9.180 -1.638 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.651 -3.933 -5.614 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.858 -2.733 -3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.733 -3.953 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.344 -5.088 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.610 -4.694 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.970 -1.724 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.819 -2.436 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.969 -1.189 -4.377 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.921 -4.506 -5.901 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.923 -5.528 -6.194 1.00 0.00 C ATOM 1584 C ALA A 107 -11.563 -6.305 -7.469 1.00 0.00 C ATOM 1585 O ALA A 107 -11.591 -7.532 -7.472 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.304 -4.878 -6.310 1.00 0.00 C ATOM 0 H ALA A 107 -11.307 -3.570 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.944 -6.246 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.049 -5.643 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.554 -4.386 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.293 -4.142 -7.114 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.220 -5.597 -8.548 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.825 -6.181 -9.826 1.00 0.00 C ATOM 1594 C LYS A 108 -9.614 -7.101 -9.665 1.00 0.00 C ATOM 1595 O LYS A 108 -9.666 -8.281 -10.007 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.539 -5.020 -10.803 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.640 -5.284 -12.023 1.00 0.00 C ATOM 1598 CD LYS A 108 -10.038 -6.458 -12.921 1.00 0.00 C ATOM 1599 CE LYS A 108 -11.507 -6.400 -13.356 1.00 0.00 C ATOM 1600 NZ LYS A 108 -11.832 -7.502 -14.278 1.00 0.00 N ATOM 0 H LYS A 108 -11.210 -4.577 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.626 -6.805 -10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.498 -4.655 -11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -10.089 -4.210 -10.230 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.617 -4.380 -12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.624 -5.455 -11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.402 -6.465 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.857 -7.393 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -12.151 -6.454 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.708 -5.445 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -12.832 -7.438 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.232 -7.435 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -11.662 -8.412 -13.805 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.510 -6.552 -9.164 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.242 -7.259 -9.087 1.00 0.00 C ATOM 1616 C HIS A 109 -7.213 -8.301 -7.968 1.00 0.00 C ATOM 1617 O HIS A 109 -6.339 -9.165 -7.998 1.00 0.00 O ATOM 1618 CB HIS A 109 -6.116 -6.226 -8.967 1.00 0.00 C ATOM 1619 CG HIS A 109 -6.016 -5.374 -10.208 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -5.568 -5.911 -11.413 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.382 -4.072 -10.420 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.688 -4.916 -12.296 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -6.180 -3.793 -11.754 1.00 0.00 N ATOM 0 H HIS A 109 -8.474 -5.600 -8.799 1.00 0.00 H new ATOM 0 HA HIS A 109 -7.099 -7.837 -10.000 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.295 -5.590 -8.100 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.168 -6.737 -8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.761 -3.387 -9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.417 -5.007 -13.338 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.367 -2.911 -12.232 1.00 0.00 H new ATOM 1631 N ALA A 110 -8.155 -8.243 -7.014 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.290 -9.155 -5.880 1.00 0.00 C ATOM 1633 C ALA A 110 -7.954 -10.602 -6.244 1.00 0.00 C ATOM 1634 O ALA A 110 -7.191 -11.247 -5.532 1.00 0.00 O ATOM 1635 CB ALA A 110 -9.720 -9.099 -5.334 1.00 0.00 C ATOM 0 H ALA A 110 -8.876 -7.522 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.576 -8.827 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.814 -9.781 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.945 -8.084 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.420 -9.392 -6.116 1.00 0.00 H new ATOM 1641 N ALA A 111 -8.530 -11.097 -7.346 1.00 0.00 N ATOM 1642 CA ALA A 111 -8.339 -12.465 -7.813 1.00 0.00 C ATOM 1643 C ALA A 111 -8.655 -13.450 -6.677 1.00 0.00 C ATOM 1644 O ALA A 111 -9.786 -13.462 -6.193 1.00 0.00 O ATOM 1645 CB ALA A 111 -6.925 -12.620 -8.394 1.00 0.00 C ATOM 0 H ALA A 111 -9.149 -10.547 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 111 -9.032 -12.698 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.785 -13.643 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.797 -11.932 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.188 -12.395 -7.623 1.00 0.00 H new ATOM 1651 N ALA A 112 -7.690 -14.271 -6.253 1.00 0.00 N ATOM 1652 CA ALA A 112 -7.810 -15.240 -5.183 1.00 0.00 C ATOM 1653 C ALA A 112 -6.389 -15.697 -4.862 1.00 0.00 C ATOM 1654 O ALA A 112 -5.495 -15.350 -5.669 1.00 0.00 O ATOM 1655 CB ALA A 112 -8.678 -16.425 -5.618 1.00 0.00 C ATOM 1656 OXT ALA A 112 -6.207 -16.389 -3.838 1.00 0.00 O ATOM 0 H ALA A 112 -6.761 -14.270 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.292 -14.805 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.754 -17.140 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.674 -16.069 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.224 -16.910 -6.482 1.00 0.00 H new TER 1662 ALA A 112