USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 375 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 Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0117 K(o=-0.012,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 15 N PRO A 25 -14.662 -4.556 5.674 1.00 0.00 N ATOM 16 CA PRO A 25 -13.306 -3.966 5.786 1.00 0.00 C ATOM 17 C PRO A 25 -12.236 -5.024 5.502 1.00 0.00 C ATOM 18 O PRO A 25 -11.135 -4.715 5.095 1.00 0.00 O ATOM 19 CB PRO A 25 -13.240 -3.495 7.236 1.00 0.00 C ATOM 20 CG PRO A 25 -14.250 -4.327 7.961 1.00 0.00 C ATOM 21 CD PRO A 25 -15.345 -4.651 6.976 1.00 0.00 C ATOM 0 HA PRO A 25 -13.128 -3.160 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.242 -3.635 7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.472 -2.433 7.317 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.794 -5.240 8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.651 -3.786 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.756 -5.646 7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.174 -3.947 7.049 1.00 0.00 H new ATOM 29 N VAL A 26 -12.554 -6.271 5.718 1.00 0.00 N ATOM 30 CA VAL A 26 -11.561 -7.353 5.460 1.00 0.00 C ATOM 31 C VAL A 26 -11.172 -7.375 3.979 1.00 0.00 C ATOM 32 O VAL A 26 -10.047 -7.670 3.628 1.00 0.00 O ATOM 33 CB VAL A 26 -12.280 -8.646 5.846 1.00 0.00 C ATOM 34 CG1 VAL A 26 -13.333 -8.982 4.788 1.00 0.00 C ATOM 35 CG2 VAL A 26 -11.260 -9.784 5.931 1.00 0.00 C ATOM 0 H VAL A 26 -13.460 -6.588 6.063 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.640 -7.213 6.026 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.768 -8.518 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.845 -9.904 5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.057 -8.170 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.848 -9.112 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.768 -10.708 6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.775 -9.911 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.510 -9.544 6.684 1.00 0.00 H new ATOM 45 N LEU A 27 -12.094 -7.066 3.109 1.00 0.00 N ATOM 46 CA LEU A 27 -11.778 -7.073 1.651 1.00 0.00 C ATOM 47 C LEU A 27 -10.629 -6.106 1.354 1.00 0.00 C ATOM 48 O LEU A 27 -9.790 -6.361 0.513 1.00 0.00 O ATOM 49 CB LEU A 27 -13.061 -6.599 0.968 1.00 0.00 C ATOM 50 CG LEU A 27 -13.163 -7.227 -0.422 1.00 0.00 C ATOM 51 CD1 LEU A 27 -11.864 -6.980 -1.189 1.00 0.00 C ATOM 52 CD2 LEU A 27 -13.393 -8.733 -0.282 1.00 0.00 C ATOM 0 H LEU A 27 -13.053 -6.809 3.344 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.466 -8.057 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.928 -6.876 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.062 -5.512 0.888 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.996 -6.779 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.936 -7.428 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.697 -5.907 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.031 -7.429 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.466 -9.183 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.559 -9.180 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.318 -8.910 0.267 1.00 0.00 H new ATOM 64 N VAL A 28 -10.591 -4.997 2.036 1.00 0.00 N ATOM 65 CA VAL A 28 -9.505 -4.004 1.795 1.00 0.00 C ATOM 66 C VAL A 28 -8.137 -4.622 2.095 1.00 0.00 C ATOM 67 O VAL A 28 -7.191 -4.447 1.353 1.00 0.00 O ATOM 68 CB VAL A 28 -9.807 -2.862 2.763 1.00 0.00 C ATOM 69 CG1 VAL A 28 -8.734 -1.779 2.637 1.00 0.00 C ATOM 70 CG2 VAL A 28 -11.176 -2.265 2.427 1.00 0.00 C ATOM 0 H VAL A 28 -11.267 -4.733 2.753 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.471 -3.668 0.759 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.812 -3.244 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.954 -0.967 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.759 -2.204 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.724 -1.394 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.396 -1.449 3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.166 -1.885 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.942 -3.035 2.520 1.00 0.00 H new ATOM 80 N ILE A 29 -8.024 -5.343 3.177 1.00 0.00 N ATOM 81 CA ILE A 29 -6.719 -5.982 3.515 1.00 0.00 C ATOM 82 C ILE A 29 -6.362 -7.045 2.474 1.00 0.00 C ATOM 83 O ILE A 29 -5.216 -7.204 2.102 1.00 0.00 O ATOM 84 CB ILE A 29 -6.938 -6.625 4.884 1.00 0.00 C ATOM 85 CG1 ILE A 29 -7.284 -5.539 5.905 1.00 0.00 C ATOM 86 CG2 ILE A 29 -5.662 -7.345 5.321 1.00 0.00 C ATOM 87 CD1 ILE A 29 -7.664 -6.192 7.236 1.00 0.00 C ATOM 0 H ILE A 29 -8.778 -5.518 3.842 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.899 -5.264 3.527 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.756 -7.343 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.433 -4.872 6.045 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.110 -4.930 5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.819 -7.803 6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.413 -8.117 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.843 -6.628 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.910 -5.419 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.528 -6.841 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.825 -6.782 7.604 1.00 0.00 H new ATOM 99 N LEU A 30 -7.334 -7.775 2.002 1.00 0.00 N ATOM 100 CA LEU A 30 -7.051 -8.838 0.994 1.00 0.00 C ATOM 101 C LEU A 30 -6.502 -8.220 -0.295 1.00 0.00 C ATOM 102 O LEU A 30 -5.559 -8.715 -0.879 1.00 0.00 O ATOM 103 CB LEU A 30 -8.404 -9.501 0.737 1.00 0.00 C ATOM 104 CG LEU A 30 -8.205 -10.755 -0.112 1.00 0.00 C ATOM 105 CD1 LEU A 30 -9.363 -11.724 0.132 1.00 0.00 C ATOM 106 CD2 LEU A 30 -8.171 -10.364 -1.590 1.00 0.00 C ATOM 0 H LEU A 30 -8.314 -7.682 2.270 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.303 -9.550 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.879 -9.761 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.070 -8.806 0.227 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.266 -11.236 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.222 -12.619 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.391 -12.000 1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.303 -11.245 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.029 -11.257 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.112 -9.885 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.348 -9.671 -1.764 1.00 0.00 H new ATOM 118 N LEU A 31 -7.086 -7.143 -0.743 1.00 0.00 N ATOM 119 CA LEU A 31 -6.593 -6.490 -1.991 1.00 0.00 C ATOM 120 C LEU A 31 -5.156 -5.997 -1.802 1.00 0.00 C ATOM 121 O LEU A 31 -4.315 -6.161 -2.663 1.00 0.00 O ATOM 122 CB LEU A 31 -7.541 -5.314 -2.221 1.00 0.00 C ATOM 123 CG LEU A 31 -7.265 -4.702 -3.595 1.00 0.00 C ATOM 124 CD1 LEU A 31 -8.523 -3.995 -4.102 1.00 0.00 C ATOM 125 CD2 LEU A 31 -6.123 -3.691 -3.481 1.00 0.00 C ATOM 0 H LEU A 31 -7.883 -6.686 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.580 -7.175 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.576 -5.650 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.404 -4.564 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.986 -5.490 -4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.326 -3.559 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.337 -4.715 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.804 -3.207 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.925 -3.254 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.403 -2.903 -2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.226 -4.194 -3.120 1.00 0.00 H new ATOM 137 N GLY A 32 -4.866 -5.396 -0.681 1.00 0.00 N ATOM 138 CA GLY A 32 -3.479 -4.902 -0.438 1.00 0.00 C ATOM 139 C GLY A 32 -2.520 -6.092 -0.371 1.00 0.00 C ATOM 140 O GLY A 32 -1.404 -6.030 -0.849 1.00 0.00 O ATOM 0 H GLY A 32 -5.527 -5.225 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.178 -4.223 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.440 -4.337 0.493 1.00 0.00 H new ATOM 144 N VAL A 33 -2.947 -7.174 0.219 1.00 0.00 N ATOM 145 CA VAL A 33 -2.059 -8.367 0.333 1.00 0.00 C ATOM 146 C VAL A 33 -1.601 -8.823 -1.056 1.00 0.00 C ATOM 147 O VAL A 33 -0.444 -9.126 -1.271 1.00 0.00 O ATOM 148 CB VAL A 33 -2.930 -9.442 0.984 1.00 0.00 C ATOM 149 CG1 VAL A 33 -2.197 -10.785 0.951 1.00 0.00 C ATOM 150 CG2 VAL A 33 -3.218 -9.054 2.436 1.00 0.00 C ATOM 0 H VAL A 33 -3.875 -7.285 0.628 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.159 -8.158 0.912 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.869 -9.528 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.819 -11.550 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.992 -11.062 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.258 -10.700 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.839 -9.820 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.279 -8.967 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.742 -8.098 2.460 1.00 0.00 H new ATOM 160 N VAL A 34 -2.505 -8.880 -1.994 1.00 0.00 N ATOM 161 CA VAL A 34 -2.129 -9.301 -3.375 1.00 0.00 C ATOM 162 C VAL A 34 -1.074 -8.358 -3.961 1.00 0.00 C ATOM 163 O VAL A 34 -0.151 -8.783 -4.627 1.00 0.00 O ATOM 164 CB VAL A 34 -3.428 -9.215 -4.174 1.00 0.00 C ATOM 165 CG1 VAL A 34 -3.134 -9.441 -5.658 1.00 0.00 C ATOM 166 CG2 VAL A 34 -4.401 -10.286 -3.678 1.00 0.00 C ATOM 0 H VAL A 34 -3.491 -8.653 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.696 -10.301 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.872 -8.228 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.062 -9.379 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.440 -8.678 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.690 -10.427 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.329 -10.226 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.956 -11.272 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.613 -10.124 -2.621 1.00 0.00 H new ATOM 176 N GLY A 35 -1.204 -7.081 -3.726 1.00 0.00 N ATOM 177 CA GLY A 35 -0.204 -6.120 -4.273 1.00 0.00 C ATOM 178 C GLY A 35 1.186 -6.446 -3.723 1.00 0.00 C ATOM 179 O GLY A 35 2.172 -6.391 -4.432 1.00 0.00 O ATOM 0 H GLY A 35 -1.957 -6.662 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.195 -6.171 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.481 -5.101 -4.004 1.00 0.00 H new ATOM 183 N LEU A 36 1.278 -6.784 -2.465 1.00 0.00 N ATOM 184 CA LEU A 36 2.608 -7.117 -1.877 1.00 0.00 C ATOM 185 C LEU A 36 3.239 -8.304 -2.613 1.00 0.00 C ATOM 186 O LEU A 36 4.433 -8.344 -2.838 1.00 0.00 O ATOM 187 CB LEU A 36 2.317 -7.488 -0.422 1.00 0.00 C ATOM 188 CG LEU A 36 2.344 -6.228 0.444 1.00 0.00 C ATOM 189 CD1 LEU A 36 1.012 -5.487 0.306 1.00 0.00 C ATOM 190 CD2 LEU A 36 2.557 -6.618 1.908 1.00 0.00 C ATOM 0 H LEU A 36 0.491 -6.844 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 36 3.309 -6.286 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.343 -7.972 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.057 -8.204 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 36 3.158 -5.581 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.030 -4.589 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.857 -5.208 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.199 -6.136 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.576 -5.720 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.743 -7.265 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.504 -7.148 2.009 1.00 0.00 H new ATOM 202 N SER A 37 2.448 -9.274 -2.982 1.00 0.00 N ATOM 203 CA SER A 37 2.999 -10.459 -3.700 1.00 0.00 C ATOM 204 C SER A 37 3.686 -10.034 -5.003 1.00 0.00 C ATOM 205 O SER A 37 4.795 -10.440 -5.290 1.00 0.00 O ATOM 206 CB SER A 37 1.780 -11.332 -3.996 1.00 0.00 C ATOM 207 OG SER A 37 2.212 -12.592 -4.495 1.00 0.00 O ATOM 0 H SER A 37 1.442 -9.297 -2.817 1.00 0.00 H new ATOM 0 HA SER A 37 3.752 -10.983 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.189 -11.470 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.136 -10.841 -4.725 1.00 0.00 H new ATOM 0 HG SER A 37 1.432 -13.154 -4.684 1.00 0.00 H new ATOM 213 N ALA A 38 3.038 -9.225 -5.796 1.00 0.00 N ATOM 214 CA ALA A 38 3.679 -8.745 -7.055 1.00 0.00 C ATOM 215 C ALA A 38 5.023 -8.077 -6.749 1.00 0.00 C ATOM 216 O ALA A 38 5.957 -8.159 -7.522 1.00 0.00 O ATOM 217 CB ALA A 38 2.697 -7.727 -7.636 1.00 0.00 C ATOM 0 H ALA A 38 2.094 -8.876 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 38 3.882 -9.561 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.097 -7.326 -8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.742 -8.214 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.551 -6.915 -6.924 1.00 0.00 H new ATOM 223 N LEU A 39 5.125 -7.416 -5.630 1.00 0.00 N ATOM 224 CA LEU A 39 6.408 -6.745 -5.273 1.00 0.00 C ATOM 225 C LEU A 39 7.116 -7.504 -4.147 1.00 0.00 C ATOM 226 O LEU A 39 6.775 -7.376 -2.988 1.00 0.00 O ATOM 227 CB LEU A 39 6.001 -5.348 -4.803 1.00 0.00 C ATOM 228 CG LEU A 39 5.207 -4.654 -5.910 1.00 0.00 C ATOM 229 CD1 LEU A 39 4.900 -3.215 -5.491 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.035 -4.645 -7.197 1.00 0.00 C ATOM 0 H LEU A 39 4.376 -7.311 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 39 7.102 -6.712 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.399 -5.418 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.886 -4.763 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 39 4.273 -5.189 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.334 -2.719 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.314 -3.221 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.834 -2.678 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.472 -4.151 -7.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.968 -4.108 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.256 -5.670 -7.495 1.00 0.00 H new ATOM 242 N THR A 40 8.095 -8.301 -4.478 1.00 0.00 N ATOM 243 CA THR A 40 8.816 -9.075 -3.427 1.00 0.00 C ATOM 244 C THR A 40 10.333 -8.971 -3.622 1.00 0.00 C ATOM 245 O THR A 40 11.063 -9.912 -3.380 1.00 0.00 O ATOM 246 CB THR A 40 8.348 -10.520 -3.613 1.00 0.00 C ATOM 247 OG1 THR A 40 8.568 -10.919 -4.960 1.00 0.00 O ATOM 248 CG2 THR A 40 6.857 -10.618 -3.287 1.00 0.00 C ATOM 0 H THR A 40 8.427 -8.450 -5.431 1.00 0.00 H new ATOM 0 HA THR A 40 8.606 -8.700 -2.426 1.00 0.00 H new ATOM 0 HB THR A 40 8.909 -11.174 -2.945 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.270 -11.845 -5.080 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.523 -11.647 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.689 -10.312 -2.254 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.295 -9.965 -3.955 1.00 0.00 H new ATOM 256 N GLY A 41 10.813 -7.839 -4.058 1.00 0.00 N ATOM 257 CA GLY A 41 12.282 -7.693 -4.278 1.00 0.00 C ATOM 258 C GLY A 41 12.734 -6.301 -3.833 1.00 0.00 C ATOM 259 O GLY A 41 12.005 -5.337 -3.949 1.00 0.00 O ATOM 0 H GLY A 41 10.256 -7.012 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.821 -8.457 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.518 -7.843 -5.331 1.00 0.00 H new ATOM 263 N TYR A 42 13.930 -6.190 -3.321 1.00 0.00 N ATOM 264 CA TYR A 42 14.430 -4.857 -2.875 1.00 0.00 C ATOM 265 C TYR A 42 14.572 -3.910 -4.071 1.00 0.00 C ATOM 266 O TYR A 42 14.391 -4.297 -5.208 1.00 0.00 O ATOM 267 CB TYR A 42 15.799 -5.137 -2.254 1.00 0.00 C ATOM 268 CG TYR A 42 15.634 -6.050 -1.062 1.00 0.00 C ATOM 269 CD1 TYR A 42 15.180 -5.534 0.157 1.00 0.00 C ATOM 270 CD2 TYR A 42 15.937 -7.412 -1.176 1.00 0.00 C ATOM 271 CE1 TYR A 42 15.025 -6.381 1.261 1.00 0.00 C ATOM 272 CE2 TYR A 42 15.784 -8.260 -0.072 1.00 0.00 C ATOM 273 CZ TYR A 42 15.329 -7.743 1.148 1.00 0.00 C ATOM 274 OH TYR A 42 15.177 -8.577 2.237 1.00 0.00 O ATOM 0 H TYR A 42 14.582 -6.964 -3.192 1.00 0.00 H new ATOM 0 HA TYR A 42 13.748 -4.378 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 42 16.457 -5.598 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 42 16.269 -4.203 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 42 14.949 -4.483 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 42 16.289 -7.809 -2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 42 14.671 -5.983 2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 42 16.016 -9.311 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 42 15.430 -9.490 1.988 1.00 0.00 H new ATOM 284 N LEU A 43 14.900 -2.671 -3.821 1.00 0.00 N ATOM 285 CA LEU A 43 15.035 -1.691 -4.938 1.00 0.00 C ATOM 286 C LEU A 43 15.524 -0.344 -4.396 1.00 0.00 C ATOM 287 O LEU A 43 14.995 0.175 -3.434 1.00 0.00 O ATOM 288 CB LEU A 43 13.627 -1.553 -5.518 1.00 0.00 C ATOM 289 CG LEU A 43 12.641 -1.226 -4.396 1.00 0.00 C ATOM 290 CD1 LEU A 43 11.928 0.091 -4.709 1.00 0.00 C ATOM 291 CD2 LEU A 43 11.606 -2.348 -4.285 1.00 0.00 C ATOM 0 H LEU A 43 15.081 -2.294 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 43 15.754 -2.016 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.609 -0.767 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.335 -2.478 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 43 13.182 -1.132 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.225 0.323 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.663 0.892 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.387 -0.003 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.902 -2.116 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.067 -2.440 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.111 -3.288 -4.063 1.00 0.00 H new ATOM 303 N ASP A 44 16.527 0.226 -5.006 1.00 0.00 N ATOM 304 CA ASP A 44 17.035 1.547 -4.531 1.00 0.00 C ATOM 305 C ASP A 44 16.217 2.683 -5.151 1.00 0.00 C ATOM 306 O ASP A 44 15.910 2.671 -6.328 1.00 0.00 O ATOM 307 CB ASP A 44 18.486 1.607 -5.007 1.00 0.00 C ATOM 308 CG ASP A 44 19.156 2.864 -4.450 1.00 0.00 C ATOM 309 OD1 ASP A 44 19.608 2.817 -3.317 1.00 0.00 O ATOM 310 OD2 ASP A 44 19.204 3.852 -5.163 1.00 0.00 O ATOM 0 H ASP A 44 17.017 -0.164 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 44 16.957 1.655 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.025 0.719 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 44 18.522 1.616 -6.096 1.00 0.00 H new ATOM 315 N TYR A 45 15.862 3.667 -4.372 1.00 0.00 N ATOM 316 CA TYR A 45 15.057 4.798 -4.916 1.00 0.00 C ATOM 317 C TYR A 45 15.842 5.527 -6.011 1.00 0.00 C ATOM 318 O TYR A 45 17.031 5.745 -5.893 1.00 0.00 O ATOM 319 CB TYR A 45 14.816 5.722 -3.723 1.00 0.00 C ATOM 320 CG TYR A 45 16.066 6.521 -3.443 1.00 0.00 C ATOM 321 CD1 TYR A 45 17.057 5.998 -2.604 1.00 0.00 C ATOM 322 CD2 TYR A 45 16.235 7.783 -4.025 1.00 0.00 C ATOM 323 CE1 TYR A 45 18.217 6.739 -2.345 1.00 0.00 C ATOM 324 CE2 TYR A 45 17.395 8.523 -3.767 1.00 0.00 C ATOM 325 CZ TYR A 45 18.386 8.001 -2.928 1.00 0.00 C ATOM 326 OH TYR A 45 19.530 8.730 -2.674 1.00 0.00 O ATOM 0 H TYR A 45 16.094 3.737 -3.381 1.00 0.00 H new ATOM 0 HA TYR A 45 14.123 4.462 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 45 13.982 6.393 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 45 14.542 5.136 -2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.927 5.024 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 45 15.471 8.186 -4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 45 18.981 6.337 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 45 17.525 9.497 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 45 19.489 9.582 -3.157 1.00 0.00 H new ATOM 336 N VAL A 46 15.186 5.906 -7.072 1.00 0.00 N ATOM 337 CA VAL A 46 15.897 6.615 -8.175 1.00 0.00 C ATOM 338 C VAL A 46 15.645 8.121 -8.084 1.00 0.00 C ATOM 339 O VAL A 46 15.655 8.700 -7.016 1.00 0.00 O ATOM 340 CB VAL A 46 15.299 6.046 -9.461 1.00 0.00 C ATOM 341 CG1 VAL A 46 15.416 4.521 -9.449 1.00 0.00 C ATOM 342 CG2 VAL A 46 13.824 6.443 -9.553 1.00 0.00 C ATOM 0 H VAL A 46 14.189 5.756 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 46 16.977 6.472 -8.130 1.00 0.00 H new ATOM 0 HB VAL A 46 15.839 6.444 -10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 46 14.989 4.116 -10.367 1.00 0.00 H new ATOM 0 HG12 VAL A 46 16.466 4.237 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.876 4.121 -8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 46 13.395 6.038 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 46 13.286 6.044 -8.693 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.740 7.530 -9.562 1.00 0.00 H new ATOM 352 N LEU A 47 15.419 8.762 -9.199 1.00 0.00 N ATOM 353 CA LEU A 47 15.173 10.232 -9.176 1.00 0.00 C ATOM 354 C LEU A 47 13.870 10.541 -8.436 1.00 0.00 C ATOM 355 O LEU A 47 13.752 11.542 -7.757 1.00 0.00 O ATOM 356 CB LEU A 47 15.057 10.638 -10.645 1.00 0.00 C ATOM 357 CG LEU A 47 14.910 12.156 -10.748 1.00 0.00 C ATOM 358 CD1 LEU A 47 16.250 12.820 -10.420 1.00 0.00 C ATOM 359 CD2 LEU A 47 14.492 12.532 -12.172 1.00 0.00 C ATOM 0 H LEU A 47 15.394 8.332 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 47 15.968 10.773 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.940 10.310 -11.194 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.197 10.148 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 47 14.151 12.497 -10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.147 13.903 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.551 12.552 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.007 12.479 -11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.387 13.614 -12.247 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.252 12.192 -12.876 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.540 12.058 -12.409 1.00 0.00 H new ATOM 371 N LEU A 48 12.887 9.692 -8.567 1.00 0.00 N ATOM 372 CA LEU A 48 11.592 9.939 -7.870 1.00 0.00 C ATOM 373 C LEU A 48 11.017 8.630 -7.320 1.00 0.00 C ATOM 374 O LEU A 48 10.539 7.802 -8.069 1.00 0.00 O ATOM 375 CB LEU A 48 10.670 10.515 -8.946 1.00 0.00 C ATOM 376 CG LEU A 48 9.674 11.481 -8.303 1.00 0.00 C ATOM 377 CD1 LEU A 48 9.853 12.875 -8.906 1.00 0.00 C ATOM 378 CD2 LEU A 48 8.247 10.993 -8.570 1.00 0.00 C ATOM 0 H LEU A 48 12.924 8.839 -9.126 1.00 0.00 H new ATOM 0 HA LEU A 48 11.707 10.612 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.258 11.033 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.137 9.710 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 48 9.852 11.523 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.143 13.564 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.869 13.224 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.675 12.832 -9.981 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.536 11.681 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.072 10.952 -9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.117 9.999 -8.143 1.00 0.00 H new ATOM 390 N PRO A 49 11.075 8.494 -6.023 1.00 0.00 N ATOM 391 CA PRO A 49 10.566 7.265 -5.365 1.00 0.00 C ATOM 392 C PRO A 49 9.036 7.227 -5.431 1.00 0.00 C ATOM 393 O PRO A 49 8.362 7.219 -4.421 1.00 0.00 O ATOM 394 CB PRO A 49 11.050 7.406 -3.924 1.00 0.00 C ATOM 395 CG PRO A 49 11.219 8.877 -3.720 1.00 0.00 C ATOM 396 CD PRO A 49 11.611 9.457 -5.053 1.00 0.00 C ATOM 0 HA PRO A 49 10.914 6.345 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.328 6.990 -3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.989 6.875 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.294 9.326 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.984 9.078 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.186 10.450 -5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.693 9.557 -5.144 1.00 0.00 H new ATOM 404 N ALA A 50 8.486 7.196 -6.615 1.00 0.00 N ATOM 405 CA ALA A 50 7.000 7.146 -6.747 1.00 0.00 C ATOM 406 C ALA A 50 6.456 5.861 -6.115 1.00 0.00 C ATOM 407 O ALA A 50 5.347 5.823 -5.621 1.00 0.00 O ATOM 408 CB ALA A 50 6.737 7.152 -8.254 1.00 0.00 C ATOM 0 H ALA A 50 9.000 7.203 -7.496 1.00 0.00 H new ATOM 0 HA ALA A 50 6.512 7.980 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.663 7.117 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.150 8.061 -8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.211 6.283 -8.710 1.00 0.00 H new ATOM 414 N LEU A 51 7.230 4.810 -6.129 1.00 0.00 N ATOM 415 CA LEU A 51 6.754 3.521 -5.543 1.00 0.00 C ATOM 416 C LEU A 51 6.577 3.661 -4.027 1.00 0.00 C ATOM 417 O LEU A 51 5.549 3.317 -3.478 1.00 0.00 O ATOM 418 CB LEU A 51 7.856 2.509 -5.864 1.00 0.00 C ATOM 419 CG LEU A 51 8.015 2.386 -7.382 1.00 0.00 C ATOM 420 CD1 LEU A 51 9.043 1.300 -7.704 1.00 0.00 C ATOM 421 CD2 LEU A 51 6.669 2.011 -8.008 1.00 0.00 C ATOM 0 H LEU A 51 8.172 4.787 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 51 5.789 3.215 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.797 2.826 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.609 1.538 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 51 8.354 3.339 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.155 1.214 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.003 1.564 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.705 0.347 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.782 1.923 -9.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.331 1.058 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.934 2.784 -7.782 1.00 0.00 H new ATOM 433 N ALA A 52 7.572 4.162 -3.350 1.00 0.00 N ATOM 434 CA ALA A 52 7.452 4.346 -1.874 1.00 0.00 C ATOM 435 C ALA A 52 6.227 5.203 -1.543 1.00 0.00 C ATOM 436 O ALA A 52 5.485 4.913 -0.626 1.00 0.00 O ATOM 437 CB ALA A 52 8.736 5.067 -1.464 1.00 0.00 C ATOM 0 H ALA A 52 8.463 4.452 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 52 7.327 3.400 -1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.728 5.241 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.598 4.453 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.800 6.022 -1.986 1.00 0.00 H new ATOM 443 N ILE A 53 6.011 6.257 -2.282 1.00 0.00 N ATOM 444 CA ILE A 53 4.822 7.121 -2.021 1.00 0.00 C ATOM 445 C ILE A 53 3.531 6.346 -2.297 1.00 0.00 C ATOM 446 O ILE A 53 2.589 6.398 -1.531 1.00 0.00 O ATOM 447 CB ILE A 53 4.964 8.290 -2.997 1.00 0.00 C ATOM 448 CG1 ILE A 53 6.248 9.062 -2.683 1.00 0.00 C ATOM 449 CG2 ILE A 53 3.761 9.225 -2.852 1.00 0.00 C ATOM 450 CD1 ILE A 53 6.459 10.153 -3.735 1.00 0.00 C ATOM 0 H ILE A 53 6.605 6.558 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 53 4.774 7.456 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 53 5.008 7.908 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.183 9.507 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.100 8.382 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.862 10.058 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.845 8.677 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.718 9.607 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.373 10.702 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.542 9.696 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.612 10.839 -3.723 1.00 0.00 H new ATOM 462 N PHE A 54 3.480 5.629 -3.386 1.00 0.00 N ATOM 463 CA PHE A 54 2.255 4.839 -3.704 1.00 0.00 C ATOM 464 C PHE A 54 1.891 3.918 -2.534 1.00 0.00 C ATOM 465 O PHE A 54 0.742 3.811 -2.151 1.00 0.00 O ATOM 466 CB PHE A 54 2.627 4.019 -4.939 1.00 0.00 C ATOM 467 CG PHE A 54 1.415 3.264 -5.430 1.00 0.00 C ATOM 468 CD1 PHE A 54 0.503 3.888 -6.291 1.00 0.00 C ATOM 469 CD2 PHE A 54 1.203 1.940 -5.025 1.00 0.00 C ATOM 470 CE1 PHE A 54 -0.622 3.188 -6.745 1.00 0.00 C ATOM 471 CE2 PHE A 54 0.078 1.241 -5.479 1.00 0.00 C ATOM 472 CZ PHE A 54 -0.834 1.865 -6.339 1.00 0.00 C ATOM 0 H PHE A 54 4.233 5.556 -4.070 1.00 0.00 H new ATOM 0 HA PHE A 54 1.388 5.476 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.002 4.675 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.429 3.322 -4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.667 4.908 -6.605 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.907 1.458 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.326 3.669 -7.408 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.086 0.221 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.701 1.325 -6.689 1.00 0.00 H new ATOM 482 N ILE A 55 2.858 3.250 -1.966 1.00 0.00 N ATOM 483 CA ILE A 55 2.567 2.354 -0.809 1.00 0.00 C ATOM 484 C ILE A 55 2.071 3.171 0.389 1.00 0.00 C ATOM 485 O ILE A 55 1.120 2.804 1.052 1.00 0.00 O ATOM 486 CB ILE A 55 3.901 1.684 -0.479 1.00 0.00 C ATOM 487 CG1 ILE A 55 4.383 0.881 -1.689 1.00 0.00 C ATOM 488 CG2 ILE A 55 3.717 0.745 0.715 1.00 0.00 C ATOM 489 CD1 ILE A 55 3.284 -0.089 -2.127 1.00 0.00 C ATOM 0 H ILE A 55 3.836 3.285 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 55 1.789 1.627 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 55 4.639 2.447 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.637 1.554 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.289 0.331 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.667 0.267 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.374 1.316 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.979 -0.018 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.626 -0.662 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.052 -0.770 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.389 0.472 -2.396 1.00 0.00 H new ATOM 501 N GLY A 56 2.711 4.272 0.673 1.00 0.00 N ATOM 502 CA GLY A 56 2.268 5.120 1.816 1.00 0.00 C ATOM 503 C GLY A 56 0.785 5.465 1.667 1.00 0.00 C ATOM 504 O GLY A 56 0.008 5.310 2.588 1.00 0.00 O ATOM 0 H GLY A 56 3.522 4.621 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.435 4.594 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.861 6.034 1.853 1.00 0.00 H new ATOM 508 N LEU A 57 0.385 5.936 0.518 1.00 0.00 N ATOM 509 CA LEU A 57 -1.060 6.233 0.299 1.00 0.00 C ATOM 510 C LEU A 57 -1.885 4.945 0.359 1.00 0.00 C ATOM 511 O LEU A 57 -2.987 4.925 0.872 1.00 0.00 O ATOM 512 CB LEU A 57 -1.131 6.850 -1.098 1.00 0.00 C ATOM 513 CG LEU A 57 -2.276 7.863 -1.153 1.00 0.00 C ATOM 514 CD1 LEU A 57 -3.521 7.258 -0.505 1.00 0.00 C ATOM 515 CD2 LEU A 57 -1.872 9.129 -0.395 1.00 0.00 C ATOM 0 H LEU A 57 0.994 6.128 -0.277 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.462 6.900 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.187 7.339 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.286 6.070 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.491 8.114 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.338 7.979 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.809 6.355 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.306 7.009 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.687 9.852 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.658 8.878 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.983 9.560 -0.855 1.00 0.00 H new ATOM 527 N THR A 58 -1.362 3.869 -0.163 1.00 0.00 N ATOM 528 CA THR A 58 -2.115 2.582 -0.136 1.00 0.00 C ATOM 529 C THR A 58 -2.324 2.113 1.308 1.00 0.00 C ATOM 530 O THR A 58 -3.421 1.776 1.708 1.00 0.00 O ATOM 531 CB THR A 58 -1.227 1.591 -0.890 1.00 0.00 C ATOM 532 OG1 THR A 58 -1.009 2.064 -2.212 1.00 0.00 O ATOM 533 CG2 THR A 58 -1.913 0.225 -0.940 1.00 0.00 C ATOM 0 H THR A 58 -0.445 3.825 -0.607 1.00 0.00 H new ATOM 0 HA THR A 58 -3.104 2.677 -0.585 1.00 0.00 H new ATOM 0 HB THR A 58 -0.270 1.495 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.253 2.688 -2.216 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.280 -0.481 -1.477 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.079 -0.136 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.870 0.317 -1.453 1.00 0.00 H new ATOM 541 N ILE A 59 -1.277 2.076 2.085 1.00 0.00 N ATOM 542 CA ILE A 59 -1.415 1.661 3.512 1.00 0.00 C ATOM 543 C ILE A 59 -2.215 2.698 4.310 1.00 0.00 C ATOM 544 O ILE A 59 -3.068 2.354 5.105 1.00 0.00 O ATOM 545 CB ILE A 59 0.019 1.558 4.031 1.00 0.00 C ATOM 546 CG1 ILE A 59 0.783 0.530 3.194 1.00 0.00 C ATOM 547 CG2 ILE A 59 0.004 1.110 5.493 1.00 0.00 C ATOM 548 CD1 ILE A 59 0.014 -0.793 3.190 1.00 0.00 C ATOM 0 H ILE A 59 -0.329 2.316 1.794 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.955 0.720 3.614 1.00 0.00 H new ATOM 0 HB ILE A 59 0.505 2.531 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.907 0.895 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.782 0.382 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.027 1.037 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.546 1.837 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.480 0.136 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.556 -1.527 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.087 -1.158 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.976 -0.637 2.761 1.00 0.00 H new ATOM 560 N TYR A 60 -1.957 3.962 4.108 1.00 0.00 N ATOM 561 CA TYR A 60 -2.719 5.000 4.860 1.00 0.00 C ATOM 562 C TYR A 60 -4.218 4.863 4.563 1.00 0.00 C ATOM 563 O TYR A 60 -5.044 4.848 5.455 1.00 0.00 O ATOM 564 CB TYR A 60 -2.205 6.346 4.337 1.00 0.00 C ATOM 565 CG TYR A 60 -2.846 7.481 5.100 1.00 0.00 C ATOM 566 CD1 TYR A 60 -2.292 7.907 6.312 1.00 0.00 C ATOM 567 CD2 TYR A 60 -3.987 8.115 4.590 1.00 0.00 C ATOM 568 CE1 TYR A 60 -2.877 8.965 7.016 1.00 0.00 C ATOM 569 CE2 TYR A 60 -4.574 9.172 5.296 1.00 0.00 C ATOM 570 CZ TYR A 60 -4.018 9.597 6.508 1.00 0.00 C ATOM 571 OH TYR A 60 -4.594 10.641 7.203 1.00 0.00 O ATOM 0 H TYR A 60 -1.256 4.319 3.459 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.584 4.904 5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.121 6.395 4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.428 6.441 3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.412 7.419 6.704 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.413 7.788 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.448 9.294 7.951 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.455 9.659 4.906 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.377 10.968 6.712 1.00 0.00 H new ATOM 581 N ALA A 61 -4.573 4.773 3.310 1.00 0.00 N ATOM 582 CA ALA A 61 -6.012 4.613 2.945 1.00 0.00 C ATOM 583 C ALA A 61 -6.590 3.327 3.541 1.00 0.00 C ATOM 584 O ALA A 61 -7.712 3.300 4.007 1.00 0.00 O ATOM 585 CB ALA A 61 -6.024 4.545 1.418 1.00 0.00 C ATOM 0 H ALA A 61 -3.928 4.803 2.521 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.621 5.431 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.049 4.427 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.604 5.464 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.427 3.695 1.087 1.00 0.00 H new ATOM 591 N ILE A 62 -5.841 2.261 3.521 1.00 0.00 N ATOM 592 CA ILE A 62 -6.359 0.979 4.079 1.00 0.00 C ATOM 593 C ILE A 62 -6.605 1.101 5.586 1.00 0.00 C ATOM 594 O ILE A 62 -7.628 0.684 6.091 1.00 0.00 O ATOM 595 CB ILE A 62 -5.263 -0.044 3.795 1.00 0.00 C ATOM 596 CG1 ILE A 62 -5.213 -0.321 2.291 1.00 0.00 C ATOM 597 CG2 ILE A 62 -5.569 -1.342 4.543 1.00 0.00 C ATOM 598 CD1 ILE A 62 -3.889 -0.998 1.945 1.00 0.00 C ATOM 0 H ILE A 62 -4.894 2.220 3.144 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.312 0.696 3.633 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.302 0.346 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.048 -0.959 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.314 0.611 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.786 -2.072 4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.611 -1.144 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.529 -1.737 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.851 -1.196 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.062 -0.344 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.807 -1.938 2.491 1.00 0.00 H new ATOM 610 N GLN A 63 -5.676 1.662 6.312 1.00 0.00 N ATOM 611 CA GLN A 63 -5.874 1.810 7.784 1.00 0.00 C ATOM 612 C GLN A 63 -7.068 2.720 8.069 1.00 0.00 C ATOM 613 O GLN A 63 -7.850 2.471 8.965 1.00 0.00 O ATOM 614 CB GLN A 63 -4.583 2.443 8.300 1.00 0.00 C ATOM 615 CG GLN A 63 -3.422 1.471 8.087 1.00 0.00 C ATOM 616 CD GLN A 63 -2.119 2.123 8.552 1.00 0.00 C ATOM 617 OE1 GLN A 63 -2.060 3.322 8.740 1.00 0.00 O ATOM 618 NE2 GLN A 63 -1.064 1.380 8.745 1.00 0.00 N ATOM 0 H GLN A 63 -4.792 2.023 5.952 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.080 0.855 8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.389 3.379 7.776 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.681 2.684 9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.598 0.550 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.350 1.199 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.113 0.373 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.190 1.806 9.054 1.00 0.00 H new ATOM 627 N ARG A 64 -7.218 3.773 7.316 1.00 0.00 N ATOM 628 CA ARG A 64 -8.366 4.694 7.549 1.00 0.00 C ATOM 629 C ARG A 64 -9.683 3.982 7.235 1.00 0.00 C ATOM 630 O ARG A 64 -10.598 3.964 8.035 1.00 0.00 O ATOM 631 CB ARG A 64 -8.142 5.856 6.583 1.00 0.00 C ATOM 632 CG ARG A 64 -9.201 6.930 6.828 1.00 0.00 C ATOM 633 CD ARG A 64 -8.988 8.089 5.853 1.00 0.00 C ATOM 634 NE ARG A 64 -9.372 7.544 4.522 1.00 0.00 N ATOM 635 CZ ARG A 64 -8.565 7.676 3.507 1.00 0.00 C ATOM 636 NH1 ARG A 64 -7.855 8.763 3.376 1.00 0.00 N ATOM 637 NH2 ARG A 64 -8.467 6.722 2.621 1.00 0.00 N ATOM 0 H ARG A 64 -6.597 4.036 6.551 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.424 5.030 8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.145 6.274 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.197 5.503 5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.198 6.509 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.139 7.289 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.603 8.949 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.951 8.425 5.858 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.266 7.068 4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.932 9.509 4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.223 8.867 2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.022 5.872 2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.835 6.826 1.827 1.00 0.00 H new ATOM 651 N LYS A 65 -9.787 3.394 6.074 1.00 0.00 N ATOM 652 CA LYS A 65 -11.029 2.648 5.727 1.00 0.00 C ATOM 653 C LYS A 65 -11.294 1.554 6.764 1.00 0.00 C ATOM 654 O LYS A 65 -12.391 1.417 7.269 1.00 0.00 O ATOM 655 CB LYS A 65 -10.752 2.039 4.351 1.00 0.00 C ATOM 656 CG LYS A 65 -10.586 3.163 3.325 1.00 0.00 C ATOM 657 CD LYS A 65 -10.020 2.595 2.023 1.00 0.00 C ATOM 658 CE LYS A 65 -11.047 1.653 1.390 1.00 0.00 C ATOM 659 NZ LYS A 65 -10.452 1.252 0.085 1.00 0.00 N ATOM 0 H LYS A 65 -9.066 3.398 5.352 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.910 3.289 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.851 1.427 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.572 1.383 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.547 3.641 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.920 3.931 3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.780 3.405 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.092 2.059 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.229 0.785 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.006 2.152 1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.100 0.605 -0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.296 2.098 -0.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.544 0.773 0.250 1.00 0.00 H new ATOM 673 N ARG A 66 -10.296 0.778 7.094 1.00 0.00 N ATOM 674 CA ARG A 66 -10.488 -0.285 8.122 1.00 0.00 C ATOM 675 C ARG A 66 -10.965 0.344 9.435 1.00 0.00 C ATOM 676 O ARG A 66 -11.834 -0.178 10.106 1.00 0.00 O ATOM 677 CB ARG A 66 -9.108 -0.923 8.297 1.00 0.00 C ATOM 678 CG ARG A 66 -8.766 -1.748 7.054 1.00 0.00 C ATOM 679 CD ARG A 66 -7.315 -2.231 7.139 1.00 0.00 C ATOM 680 NE ARG A 66 -7.300 -3.219 8.255 1.00 0.00 N ATOM 681 CZ ARG A 66 -6.225 -3.371 8.980 1.00 0.00 C ATOM 682 NH1 ARG A 66 -6.104 -2.733 10.112 1.00 0.00 N ATOM 683 NH2 ARG A 66 -5.268 -4.159 8.570 1.00 0.00 N ATOM 0 H ARG A 66 -9.358 0.834 6.697 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.237 -1.021 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.355 -0.150 8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.099 -1.559 9.182 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.440 -2.601 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.907 -1.146 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.996 -2.689 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.635 -1.403 7.336 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.131 -3.777 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.850 -2.115 10.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.264 -2.853 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.361 -4.655 7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.428 -4.278 9.136 1.00 0.00 H new ATOM 697 N GLN A 67 -10.407 1.466 9.800 1.00 0.00 N ATOM 698 CA GLN A 67 -10.824 2.132 11.068 1.00 0.00 C ATOM 699 C GLN A 67 -10.456 3.618 11.022 1.00 0.00 C ATOM 700 O GLN A 67 -9.592 4.029 10.274 1.00 0.00 O ATOM 701 CB GLN A 67 -10.038 1.420 12.170 1.00 0.00 C ATOM 702 CG GLN A 67 -8.548 1.732 12.017 1.00 0.00 C ATOM 703 CD GLN A 67 -7.739 0.839 12.962 1.00 0.00 C ATOM 704 OE1 GLN A 67 -8.021 -0.334 13.096 1.00 0.00 O ATOM 705 NE2 GLN A 67 -6.739 1.351 13.627 1.00 0.00 N ATOM 0 H GLN A 67 -9.680 1.951 9.275 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.900 2.071 11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.390 1.744 13.150 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.203 0.344 12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.235 1.566 10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.360 2.782 12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.503 2.337 13.514 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.194 0.765 14.260 1.00 0.00 H new ATOM 714 N ALA A 68 -11.111 4.427 11.808 1.00 0.00 N ATOM 715 CA ALA A 68 -10.796 5.885 11.801 1.00 0.00 C ATOM 716 C ALA A 68 -9.610 6.181 12.723 1.00 0.00 C ATOM 717 O ALA A 68 -8.825 5.309 13.039 1.00 0.00 O ATOM 718 CB ALA A 68 -12.062 6.563 12.324 1.00 0.00 C ATOM 0 H ALA A 68 -11.849 4.144 12.453 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.519 6.241 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -11.912 7.642 12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.899 6.328 11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.279 6.202 13.330 1.00 0.00 H new