USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 266 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 1 SER N :NH3+ 150:sc= 0.876 (180deg=0.227) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 3 SER OG : rot 140:sc= -0.0784 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 0.00509 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.136 -2.207 -3.902 1.00 10.00 N ATOM 2 CA SER A 1 -18.112 -2.092 -5.028 1.00 10.00 C ATOM 3 C SER A 1 -19.384 -1.373 -4.559 1.00 10.00 C ATOM 4 O SER A 1 -19.672 -0.271 -4.985 1.00 10.00 O ATOM 5 CB SER A 1 -18.423 -3.532 -5.446 1.00 10.00 C ATOM 6 OG SER A 1 -17.209 -4.201 -5.763 1.00 10.00 O ATOM 0 H1 SER A 1 -16.561 -3.064 -4.027 1.00 10.00 H new ATOM 0 H2 SER A 1 -16.516 -1.372 -3.894 1.00 10.00 H new ATOM 0 H3 SER A 1 -17.651 -2.264 -3.000 1.00 10.00 H new ATOM 0 HA SER A 1 -17.711 -1.512 -5.859 1.00 10.00 H new ATOM 0 HB2 SER A 1 -18.939 -4.053 -4.640 1.00 10.00 H new ATOM 0 HB3 SER A 1 -19.090 -3.537 -6.308 1.00 10.00 H new ATOM 0 HG SER A 1 -17.404 -5.124 -6.029 1.00 10.00 H new ATOM 14 N GLY A 2 -20.145 -1.985 -3.681 1.00 10.00 N ATOM 15 CA GLY A 2 -21.394 -1.337 -3.183 1.00 10.00 C ATOM 16 C GLY A 2 -21.135 -0.725 -1.805 1.00 10.00 C ATOM 17 O GLY A 2 -21.761 -1.090 -0.828 1.00 10.00 O ATOM 0 H GLY A 2 -19.952 -2.907 -3.289 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.719 -0.565 -3.880 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.198 -2.071 -3.122 1.00 10.00 H new ATOM 21 N SER A 3 -20.211 0.201 -1.721 1.00 10.00 N ATOM 22 CA SER A 3 -19.898 0.842 -0.406 1.00 10.00 C ATOM 23 C SER A 3 -19.078 2.121 -0.616 1.00 10.00 C ATOM 24 O SER A 3 -18.623 2.406 -1.708 1.00 10.00 O ATOM 25 CB SER A 3 -19.075 -0.199 0.356 1.00 10.00 C ATOM 26 OG SER A 3 -18.820 0.274 1.673 1.00 10.00 O ATOM 0 H SER A 3 -19.659 0.541 -2.508 1.00 10.00 H new ATOM 0 HA SER A 3 -20.800 1.129 0.135 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.613 -1.146 0.395 1.00 10.00 H new ATOM 0 HB3 SER A 3 -18.135 -0.387 -0.163 1.00 10.00 H new ATOM 0 HG SER A 3 -18.905 -0.467 2.309 1.00 10.00 H new ATOM 32 N TRP A 4 -18.883 2.888 0.428 1.00 10.00 N ATOM 33 CA TRP A 4 -18.086 4.146 0.306 1.00 10.00 C ATOM 34 C TRP A 4 -16.688 3.939 0.901 1.00 10.00 C ATOM 35 O TRP A 4 -15.689 4.229 0.272 1.00 10.00 O ATOM 36 CB TRP A 4 -18.867 5.196 1.103 1.00 10.00 C ATOM 37 CG TRP A 4 -18.871 6.489 0.351 1.00 10.00 C ATOM 38 CD1 TRP A 4 -19.922 6.979 -0.346 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.794 7.460 0.207 1.00 10.00 C ATOM 40 NE1 TRP A 4 -19.558 8.189 -0.908 1.00 10.00 N ATOM 41 CE2 TRP A 4 -18.256 8.528 -0.596 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.474 7.515 0.691 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -17.438 9.614 -0.909 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.649 8.607 0.379 1.00 10.00 C ATOM 45 CH2 TRP A 4 -16.129 9.654 -0.419 1.00 10.00 C ATOM 0 H TRP A 4 -19.243 2.695 1.363 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.948 4.452 -0.731 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.889 4.856 1.269 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.414 5.335 2.084 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -20.886 6.503 -0.447 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -20.176 8.762 -1.483 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.093 6.713 1.306 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -17.813 10.418 -1.525 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.638 8.640 0.756 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -15.489 10.491 -0.655 1.00 10.00 H new ATOM 56 N LEU A 5 -16.612 3.432 2.108 1.00 10.00 N ATOM 57 CA LEU A 5 -15.280 3.197 2.745 1.00 10.00 C ATOM 58 C LEU A 5 -14.721 1.840 2.304 1.00 10.00 C ATOM 59 O LEU A 5 -13.569 1.731 1.928 1.00 10.00 O ATOM 60 CB LEU A 5 -15.543 3.211 4.254 1.00 10.00 C ATOM 61 CG LEU A 5 -15.254 4.608 4.813 1.00 10.00 C ATOM 62 CD1 LEU A 5 -16.556 5.407 4.899 1.00 10.00 C ATOM 63 CD2 LEU A 5 -14.641 4.481 6.211 1.00 10.00 C ATOM 0 H LEU A 5 -17.416 3.171 2.679 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.547 3.952 2.460 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -16.578 2.935 4.456 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -14.913 2.472 4.750 1.00 10.00 H new ATOM 0 HG LEU A 5 -14.556 5.124 4.154 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -16.348 6.400 5.297 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -16.993 5.499 3.905 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.256 4.892 5.557 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -14.435 5.474 6.610 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.339 3.964 6.869 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -13.712 3.914 6.151 1.00 10.00 H new ATOM 75 N ARG A 6 -15.530 0.806 2.342 1.00 10.00 N ATOM 76 CA ARG A 6 -15.053 -0.550 1.920 1.00 10.00 C ATOM 77 C ARG A 6 -14.520 -0.509 0.480 1.00 10.00 C ATOM 78 O ARG A 6 -13.522 -1.130 0.169 1.00 10.00 O ATOM 79 CB ARG A 6 -16.283 -1.459 2.013 1.00 10.00 C ATOM 80 CG ARG A 6 -15.845 -2.927 1.995 1.00 10.00 C ATOM 81 CD ARG A 6 -15.431 -3.361 3.405 1.00 10.00 C ATOM 82 NE ARG A 6 -15.081 -4.806 3.282 1.00 10.00 N ATOM 83 CZ ARG A 6 -15.032 -5.559 4.348 1.00 10.00 C ATOM 84 NH1 ARG A 6 -13.929 -5.629 5.046 1.00 10.00 N ATOM 85 NH2 ARG A 6 -16.086 -6.240 4.714 1.00 10.00 N ATOM 0 H ARG A 6 -16.502 0.844 2.648 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.237 -0.907 2.548 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.836 -1.246 2.928 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.957 -1.261 1.180 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.660 -3.555 1.636 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.012 -3.059 1.304 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -14.582 -2.779 3.763 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.242 -3.212 4.117 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.880 -5.206 2.365 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -13.108 -5.096 4.758 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -13.889 -6.217 5.879 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -16.945 -6.183 4.167 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -16.049 -6.829 5.546 1.00 10.00 H new ATOM 99 N ASP A 7 -15.176 0.223 -0.393 1.00 10.00 N ATOM 100 CA ASP A 7 -14.702 0.312 -1.809 1.00 10.00 C ATOM 101 C ASP A 7 -13.310 0.957 -1.861 1.00 10.00 C ATOM 102 O ASP A 7 -12.408 0.452 -2.504 1.00 10.00 O ATOM 103 CB ASP A 7 -15.731 1.194 -2.524 1.00 10.00 C ATOM 104 CG ASP A 7 -15.461 1.177 -4.031 1.00 10.00 C ATOM 105 OD1 ASP A 7 -15.962 0.280 -4.691 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.760 2.059 -4.498 1.00 10.00 O ATOM 0 H ASP A 7 -16.017 0.761 -0.184 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.617 -0.669 -2.276 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.739 0.833 -2.321 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.676 2.215 -2.146 1.00 10.00 H new ATOM 111 N ILE A 8 -13.128 2.063 -1.178 1.00 10.00 N ATOM 112 CA ILE A 8 -11.790 2.737 -1.176 1.00 10.00 C ATOM 113 C ILE A 8 -10.780 1.902 -0.373 1.00 10.00 C ATOM 114 O ILE A 8 -9.600 1.897 -0.670 1.00 10.00 O ATOM 115 CB ILE A 8 -12.022 4.107 -0.522 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.826 4.998 -1.478 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.674 4.774 -0.225 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.353 6.222 -0.724 1.00 10.00 C ATOM 0 H ILE A 8 -13.847 2.527 -0.623 1.00 10.00 H new ATOM 0 HA ILE A 8 -11.380 2.844 -2.180 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.573 3.972 0.409 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.197 5.315 -2.310 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.657 4.435 -1.903 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.843 5.746 0.239 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.098 4.144 0.452 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.121 4.907 -1.155 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.923 6.852 -1.407 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.997 5.897 0.093 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.514 6.790 -0.321 1.00 10.00 H new ATOM 130 N TRP A 9 -11.236 1.190 0.636 1.00 10.00 N ATOM 131 CA TRP A 9 -10.302 0.346 1.450 1.00 10.00 C ATOM 132 C TRP A 9 -9.575 -0.657 0.545 1.00 10.00 C ATOM 133 O TRP A 9 -8.409 -0.943 0.743 1.00 10.00 O ATOM 134 CB TRP A 9 -11.186 -0.385 2.466 1.00 10.00 C ATOM 135 CG TRP A 9 -11.122 0.319 3.785 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.194 0.756 4.485 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.947 0.672 4.573 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.752 1.358 5.650 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.375 1.331 5.750 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.567 0.488 4.382 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -9.466 1.790 6.703 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -7.648 0.949 5.338 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.097 1.598 6.497 1.00 10.00 C ATOM 0 H TRP A 9 -12.213 1.158 0.929 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.537 0.944 1.945 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.216 -0.418 2.110 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -10.853 -1.417 2.577 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.226 0.652 4.184 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.368 1.771 6.350 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.211 -0.012 3.493 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.817 2.290 7.593 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -6.590 0.803 5.180 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -7.386 1.949 7.230 1.00 10.00 H new ATOM 154 N ASP A 10 -10.250 -1.176 -0.455 1.00 10.00 N ATOM 155 CA ASP A 10 -9.589 -2.144 -1.385 1.00 10.00 C ATOM 156 C ASP A 10 -8.414 -1.455 -2.091 1.00 10.00 C ATOM 157 O ASP A 10 -7.336 -2.007 -2.204 1.00 10.00 O ATOM 158 CB ASP A 10 -10.673 -2.535 -2.395 1.00 10.00 C ATOM 159 CG ASP A 10 -10.140 -3.627 -3.327 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.074 -4.766 -2.894 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.813 -3.307 -4.458 1.00 10.00 O ATOM 0 H ASP A 10 -11.227 -0.971 -0.666 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.191 -3.017 -0.868 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.560 -2.891 -1.871 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.974 -1.663 -2.976 1.00 10.00 H new ATOM 166 N TRP A 11 -8.616 -0.242 -2.548 1.00 10.00 N ATOM 167 CA TRP A 11 -7.513 0.503 -3.227 1.00 10.00 C ATOM 168 C TRP A 11 -6.403 0.823 -2.216 1.00 10.00 C ATOM 169 O TRP A 11 -5.231 0.745 -2.529 1.00 10.00 O ATOM 170 CB TRP A 11 -8.161 1.787 -3.760 1.00 10.00 C ATOM 171 CG TRP A 11 -7.099 2.742 -4.209 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.389 2.632 -5.354 1.00 10.00 C ATOM 173 CD2 TRP A 11 -6.612 3.940 -3.538 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.496 3.686 -5.428 1.00 10.00 N ATOM 175 CE2 TRP A 11 -5.597 4.521 -4.333 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.951 4.572 -2.327 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.940 5.688 -3.941 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -6.293 5.746 -1.931 1.00 10.00 C ATOM 179 CH2 TRP A 11 -5.289 6.304 -2.737 1.00 10.00 C ATOM 0 H TRP A 11 -9.499 0.263 -2.479 1.00 10.00 H new ATOM 0 HA TRP A 11 -7.053 -0.072 -4.031 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.826 1.552 -4.591 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.772 2.247 -2.983 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.501 1.850 -6.090 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.842 3.829 -6.198 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.722 4.151 -1.699 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -4.167 6.112 -4.564 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -6.561 6.223 -1.000 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.787 7.208 -2.427 1.00 10.00 H new ATOM 190 N ILE A 12 -6.764 1.169 -1.002 1.00 10.00 N ATOM 191 CA ILE A 12 -5.723 1.474 0.032 1.00 10.00 C ATOM 192 C ILE A 12 -4.850 0.229 0.260 1.00 10.00 C ATOM 193 O ILE A 12 -3.657 0.329 0.480 1.00 10.00 O ATOM 194 CB ILE A 12 -6.505 1.839 1.303 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.186 3.200 1.110 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.547 1.920 2.498 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.288 3.378 2.158 1.00 10.00 C ATOM 0 H ILE A 12 -7.729 1.253 -0.684 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.058 2.285 -0.267 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.257 1.073 1.493 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.452 4.001 1.200 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.609 3.267 0.108 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.107 2.179 3.396 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.060 0.955 2.640 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.792 2.683 2.308 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.770 4.346 2.018 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.027 2.585 2.047 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.852 3.330 3.156 1.00 10.00 H new ATOM 209 N CYS A 13 -5.440 -0.942 0.187 1.00 10.00 N ATOM 210 CA CYS A 13 -4.656 -2.200 0.375 1.00 10.00 C ATOM 211 C CYS A 13 -3.736 -2.430 -0.832 1.00 10.00 C ATOM 212 O CYS A 13 -2.612 -2.876 -0.688 1.00 10.00 O ATOM 213 CB CYS A 13 -5.706 -3.311 0.477 1.00 10.00 C ATOM 214 SG CYS A 13 -4.908 -4.856 0.980 1.00 10.00 S ATOM 0 H CYS A 13 -6.434 -1.078 0.005 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.018 -2.165 1.258 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.474 -3.034 1.200 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.205 -3.443 -0.483 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.801 -5.797 1.068 1.00 10.00 H new ATOM 220 N GLU A 14 -4.202 -2.115 -2.022 1.00 10.00 N ATOM 221 CA GLU A 14 -3.353 -2.299 -3.241 1.00 10.00 C ATOM 222 C GLU A 14 -2.101 -1.421 -3.143 1.00 10.00 C ATOM 223 O GLU A 14 -1.031 -1.799 -3.577 1.00 10.00 O ATOM 224 CB GLU A 14 -4.230 -1.862 -4.418 1.00 10.00 C ATOM 225 CG GLU A 14 -4.477 -3.055 -5.348 1.00 10.00 C ATOM 226 CD GLU A 14 -3.335 -3.166 -6.362 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.323 -3.759 -6.024 1.00 10.00 O ATOM 228 OE2 GLU A 14 -3.491 -2.656 -7.460 1.00 10.00 O ATOM 0 H GLU A 14 -5.134 -1.739 -2.198 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.014 -3.329 -3.356 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.179 -1.471 -4.051 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.744 -1.055 -4.967 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.549 -3.973 -4.765 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.427 -2.932 -5.868 1.00 10.00 H new ATOM 235 N VAL A 15 -2.233 -0.257 -2.564 1.00 10.00 N ATOM 236 CA VAL A 15 -1.056 0.655 -2.412 1.00 10.00 C ATOM 237 C VAL A 15 -0.249 0.257 -1.168 1.00 10.00 C ATOM 238 O VAL A 15 0.963 0.364 -1.146 1.00 10.00 O ATOM 239 CB VAL A 15 -1.647 2.063 -2.243 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.514 3.091 -2.170 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.554 2.394 -3.434 1.00 10.00 C ATOM 0 H VAL A 15 -3.109 0.105 -2.187 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.382 0.605 -3.267 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.231 2.095 -1.323 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.935 4.089 -2.050 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.129 2.864 -1.320 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.072 3.052 -3.088 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.970 3.394 -3.308 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.973 2.356 -4.355 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.365 1.668 -3.487 1.00 10.00 H new ATOM 251 N LEU A 16 -0.921 -0.199 -0.133 1.00 10.00 N ATOM 252 CA LEU A 16 -0.214 -0.609 1.124 1.00 10.00 C ATOM 253 C LEU A 16 0.813 -1.712 0.833 1.00 10.00 C ATOM 254 O LEU A 16 1.918 -1.680 1.340 1.00 10.00 O ATOM 255 CB LEU A 16 -1.319 -1.132 2.049 1.00 10.00 C ATOM 256 CG LEU A 16 -0.750 -1.376 3.452 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.513 -0.526 4.471 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.899 -2.856 3.812 1.00 10.00 C ATOM 0 H LEU A 16 -1.935 -0.305 -0.107 1.00 10.00 H new ATOM 0 HA LEU A 16 0.337 0.219 1.571 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.136 -0.412 2.098 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.733 -2.057 1.649 1.00 10.00 H new ATOM 0 HG LEU A 16 0.304 -1.100 3.467 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.107 -0.701 5.467 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.408 0.529 4.216 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.568 -0.800 4.456 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.495 -3.030 4.809 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.954 -3.130 3.795 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.355 -3.463 3.089 1.00 10.00 H new ATOM 270 N SER A 17 0.463 -2.682 0.020 1.00 10.00 N ATOM 271 CA SER A 17 1.431 -3.780 -0.300 1.00 10.00 C ATOM 272 C SER A 17 2.666 -3.201 -1.002 1.00 10.00 C ATOM 273 O SER A 17 3.789 -3.534 -0.669 1.00 10.00 O ATOM 274 CB SER A 17 0.677 -4.740 -1.227 1.00 10.00 C ATOM 275 OG SER A 17 0.119 -4.015 -2.317 1.00 10.00 O ATOM 0 H SER A 17 -0.447 -2.760 -0.434 1.00 10.00 H new ATOM 0 HA SER A 17 1.783 -4.291 0.596 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.354 -5.509 -1.598 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.112 -5.250 -0.674 1.00 10.00 H new ATOM 0 HG SER A 17 -0.361 -4.632 -2.908 1.00 10.00 H new ATOM 281 N ASP A 18 2.463 -2.326 -1.958 1.00 10.00 N ATOM 282 CA ASP A 18 3.622 -1.706 -2.671 1.00 10.00 C ATOM 283 C ASP A 18 4.413 -0.822 -1.699 1.00 10.00 C ATOM 284 O ASP A 18 5.629 -0.823 -1.700 1.00 10.00 O ATOM 285 CB ASP A 18 3.001 -0.870 -3.798 1.00 10.00 C ATOM 286 CG ASP A 18 4.055 0.065 -4.400 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.062 -0.432 -4.880 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.833 1.265 -4.374 1.00 10.00 O ATOM 0 H ASP A 18 1.544 -2.015 -2.274 1.00 10.00 H new ATOM 0 HA ASP A 18 4.318 -2.447 -3.065 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.602 -1.527 -4.571 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.165 -0.287 -3.411 1.00 10.00 H new ATOM 293 N PHE A 19 3.727 -0.085 -0.856 1.00 10.00 N ATOM 294 CA PHE A 19 4.435 0.783 0.137 1.00 10.00 C ATOM 295 C PHE A 19 5.339 -0.083 1.023 1.00 10.00 C ATOM 296 O PHE A 19 6.430 0.315 1.386 1.00 10.00 O ATOM 297 CB PHE A 19 3.326 1.428 0.973 1.00 10.00 C ATOM 298 CG PHE A 19 3.497 2.929 0.969 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.930 3.696 -0.055 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.226 3.552 1.989 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.091 5.087 -0.059 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.386 4.943 1.986 1.00 10.00 C ATOM 303 CZ PHE A 19 3.819 5.710 0.962 1.00 10.00 C ATOM 0 H PHE A 19 2.709 -0.048 -0.814 1.00 10.00 H new ATOM 0 HA PHE A 19 5.065 1.533 -0.340 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.350 1.162 0.568 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.361 1.051 1.995 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.368 3.215 -0.842 1.00 10.00 H new ATOM 0 HD2 PHE A 19 4.665 2.960 2.778 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.654 5.679 -0.849 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.947 5.424 2.774 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.943 6.783 0.959 1.00 10.00 H new ATOM 313 N LYS A 20 4.891 -1.271 1.357 1.00 10.00 N ATOM 314 CA LYS A 20 5.719 -2.184 2.203 1.00 10.00 C ATOM 315 C LYS A 20 7.013 -2.551 1.463 1.00 10.00 C ATOM 316 O LYS A 20 8.074 -2.617 2.054 1.00 10.00 O ATOM 317 CB LYS A 20 4.852 -3.428 2.424 1.00 10.00 C ATOM 318 CG LYS A 20 5.361 -4.201 3.645 1.00 10.00 C ATOM 319 CD LYS A 20 6.126 -5.447 3.187 1.00 10.00 C ATOM 320 CE LYS A 20 5.155 -6.625 3.043 1.00 10.00 C ATOM 321 NZ LYS A 20 5.273 -7.392 4.317 1.00 10.00 N ATOM 0 H LYS A 20 3.985 -1.647 1.078 1.00 10.00 H new ATOM 0 HA LYS A 20 6.008 -1.724 3.148 1.00 10.00 H new ATOM 0 HB2 LYS A 20 3.812 -3.137 2.573 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.881 -4.065 1.540 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.011 -3.564 4.245 1.00 10.00 H new ATOM 0 HG3 LYS A 20 4.523 -4.490 4.279 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.621 -5.253 2.235 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.906 -5.692 3.908 1.00 10.00 H new ATOM 0 HE2 LYS A 20 4.134 -6.276 2.887 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.414 -7.245 2.185 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.635 -8.213 4.288 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.253 -7.719 4.436 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.013 -6.780 5.116 1.00 10.00 H new ATOM 335 N THR A 21 6.934 -2.782 0.171 1.00 10.00 N ATOM 336 CA THR A 21 8.166 -3.131 -0.603 1.00 10.00 C ATOM 337 C THR A 21 9.074 -1.903 -0.708 1.00 10.00 C ATOM 338 O THR A 21 10.284 -2.015 -0.654 1.00 10.00 O ATOM 339 CB THR A 21 7.682 -3.565 -1.994 1.00 10.00 C ATOM 340 OG1 THR A 21 6.531 -4.394 -1.871 1.00 10.00 O ATOM 341 CG2 THR A 21 8.794 -4.339 -2.705 1.00 10.00 C ATOM 0 H THR A 21 6.074 -2.744 -0.376 1.00 10.00 H new ATOM 0 HA THR A 21 8.740 -3.923 -0.122 1.00 10.00 H new ATOM 0 HB THR A 21 7.425 -2.679 -2.574 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.227 -4.666 -2.762 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.449 -4.647 -3.692 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.672 -3.701 -2.810 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.054 -5.221 -2.120 1.00 10.00 H new ATOM 349 N TRP A 22 8.497 -0.732 -0.843 1.00 10.00 N ATOM 350 CA TRP A 22 9.318 0.514 -0.934 1.00 10.00 C ATOM 351 C TRP A 22 10.184 0.648 0.322 1.00 10.00 C ATOM 352 O TRP A 22 11.375 0.880 0.246 1.00 10.00 O ATOM 353 CB TRP A 22 8.300 1.656 -1.004 1.00 10.00 C ATOM 354 CG TRP A 22 8.911 2.831 -1.699 1.00 10.00 C ATOM 355 CD1 TRP A 22 8.736 3.142 -3.003 1.00 10.00 C ATOM 356 CD2 TRP A 22 9.789 3.853 -1.146 1.00 10.00 C ATOM 357 NE1 TRP A 22 9.454 4.290 -3.287 1.00 10.00 N ATOM 358 CE2 TRP A 22 10.119 4.766 -2.174 1.00 10.00 C ATOM 359 CE3 TRP A 22 10.325 4.071 0.135 1.00 10.00 C ATOM 360 CZ2 TRP A 22 10.953 5.860 -1.938 1.00 10.00 C ATOM 361 CZ3 TRP A 22 11.164 5.171 0.377 1.00 10.00 C ATOM 362 CH2 TRP A 22 11.478 6.064 -0.658 1.00 10.00 C ATOM 0 H TRP A 22 7.489 -0.587 -0.894 1.00 10.00 H new ATOM 0 HA TRP A 22 9.986 0.514 -1.795 1.00 10.00 H new ATOM 0 HB2 TRP A 22 7.408 1.329 -1.537 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.985 1.938 0.001 1.00 10.00 H new ATOM 0 HD1 TRP A 22 8.135 2.586 -3.707 1.00 10.00 H new ATOM 0 HE1 TRP A 22 9.488 4.731 -4.206 1.00 10.00 H new ATOM 0 HE3 TRP A 22 10.090 3.388 0.938 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 11.191 6.544 -2.739 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 11.570 5.330 1.365 1.00 10.00 H new ATOM 0 HH2 TRP A 22 12.124 6.908 -0.467 1.00 10.00 H new ATOM 373 N LEU A 23 9.582 0.488 1.473 1.00 10.00 N ATOM 374 CA LEU A 23 10.346 0.588 2.754 1.00 10.00 C ATOM 375 C LEU A 23 11.265 -0.632 2.918 1.00 10.00 C ATOM 376 O LEU A 23 12.376 -0.514 3.399 1.00 10.00 O ATOM 377 CB LEU A 23 9.284 0.618 3.859 1.00 10.00 C ATOM 378 CG LEU A 23 8.930 2.071 4.197 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.993 2.637 3.127 1.00 10.00 C ATOM 380 CD2 LEU A 23 8.233 2.123 5.559 1.00 10.00 C ATOM 0 H LEU A 23 8.587 0.291 1.581 1.00 10.00 H new ATOM 0 HA LEU A 23 10.982 1.472 2.785 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.392 0.083 3.534 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.656 0.108 4.748 1.00 10.00 H new ATOM 0 HG LEU A 23 9.843 2.665 4.229 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.744 3.670 3.371 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.487 2.603 2.156 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.080 2.042 3.091 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.981 3.156 5.800 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.322 1.526 5.524 1.00 10.00 H new ATOM 0 HD23 LEU A 23 8.899 1.724 6.324 1.00 10.00 H new ATOM 392 N LYS A 24 10.813 -1.798 2.512 1.00 10.00 N ATOM 393 CA LYS A 24 11.668 -3.021 2.635 1.00 10.00 C ATOM 394 C LYS A 24 12.906 -2.884 1.739 1.00 10.00 C ATOM 395 O LYS A 24 14.002 -3.250 2.123 1.00 10.00 O ATOM 396 CB LYS A 24 10.784 -4.182 2.163 1.00 10.00 C ATOM 397 CG LYS A 24 11.545 -5.504 2.310 1.00 10.00 C ATOM 398 CD LYS A 24 12.033 -5.973 0.935 1.00 10.00 C ATOM 399 CE LYS A 24 11.487 -7.377 0.645 1.00 10.00 C ATOM 400 NZ LYS A 24 10.134 -7.159 0.052 1.00 10.00 N ATOM 0 H LYS A 24 9.892 -1.953 2.102 1.00 10.00 H new ATOM 0 HA LYS A 24 12.024 -3.177 3.653 1.00 10.00 H new ATOM 0 HB2 LYS A 24 9.865 -4.213 2.748 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.494 -4.032 1.123 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.393 -5.374 2.983 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.898 -6.260 2.755 1.00 10.00 H new ATOM 0 HD2 LYS A 24 11.702 -5.277 0.164 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.123 -5.983 0.909 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.136 -7.917 -0.044 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.426 -7.971 1.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 9.701 -8.078 -0.171 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 9.535 -6.650 0.733 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 10.223 -6.597 -0.819 1.00 10.00 H new ATOM 414 N ALA A 25 12.739 -2.348 0.555 1.00 10.00 N ATOM 415 CA ALA A 25 13.903 -2.171 -0.365 1.00 10.00 C ATOM 416 C ALA A 25 14.758 -0.981 0.091 1.00 10.00 C ATOM 417 O ALA A 25 15.966 -0.986 -0.055 1.00 10.00 O ATOM 418 CB ALA A 25 13.291 -1.896 -1.740 1.00 10.00 C ATOM 0 H ALA A 25 11.845 -2.025 0.186 1.00 10.00 H new ATOM 0 HA ALA A 25 14.553 -3.046 -0.380 1.00 10.00 H new ATOM 0 HB1 ALA A 25 14.087 -1.755 -2.471 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.671 -2.741 -2.038 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.679 -0.996 -1.692 1.00 10.00 H new ATOM 424 N LYS A 26 14.140 0.036 0.647 1.00 10.00 N ATOM 425 CA LYS A 26 14.912 1.227 1.117 1.00 10.00 C ATOM 426 C LYS A 26 15.691 0.890 2.397 1.00 10.00 C ATOM 427 O LYS A 26 16.853 1.226 2.528 1.00 10.00 O ATOM 428 CB LYS A 26 13.856 2.300 1.398 1.00 10.00 C ATOM 429 CG LYS A 26 14.544 3.630 1.717 1.00 10.00 C ATOM 430 CD LYS A 26 15.030 4.279 0.419 1.00 10.00 C ATOM 431 CE LYS A 26 14.876 5.801 0.517 1.00 10.00 C ATOM 432 NZ LYS A 26 15.030 6.298 -0.880 1.00 10.00 N ATOM 0 H LYS A 26 13.132 0.090 0.795 1.00 10.00 H new ATOM 0 HA LYS A 26 15.644 1.558 0.381 1.00 10.00 H new ATOM 0 HB2 LYS A 26 13.202 2.416 0.533 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.227 1.995 2.234 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.851 4.296 2.231 1.00 10.00 H new ATOM 0 HG3 LYS A 26 15.385 3.464 2.390 1.00 10.00 H new ATOM 0 HD2 LYS A 26 16.073 4.020 0.239 1.00 10.00 H new ATOM 0 HD3 LYS A 26 14.457 3.899 -0.427 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.904 6.073 0.927 1.00 10.00 H new ATOM 0 HE3 LYS A 26 15.631 6.232 1.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 15.514 7.218 -0.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 15.591 5.617 -1.431 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.092 6.405 -1.316 1.00 10.00 H new ATOM 446 N LEU A 27 15.061 0.230 3.338 1.00 10.00 N ATOM 447 CA LEU A 27 15.764 -0.124 4.609 1.00 10.00 C ATOM 448 C LEU A 27 16.051 -1.628 4.659 1.00 10.00 C ATOM 449 O LEU A 27 15.149 -2.444 4.631 1.00 10.00 O ATOM 450 CB LEU A 27 14.797 0.279 5.728 1.00 10.00 C ATOM 451 CG LEU A 27 15.578 0.728 6.973 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.420 -0.435 7.507 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.497 1.901 6.613 1.00 10.00 C ATOM 0 H LEU A 27 14.090 -0.079 3.280 1.00 10.00 H new ATOM 0 HA LEU A 27 16.725 0.383 4.701 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.150 1.087 5.385 1.00 10.00 H new ATOM 0 HB3 LEU A 27 14.151 -0.562 5.980 1.00 10.00 H new ATOM 0 HG LEU A 27 14.871 1.044 7.741 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.971 -0.110 8.389 1.00 10.00 H new ATOM 0 HD12 LEU A 27 15.766 -1.266 7.773 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.123 -0.758 6.739 1.00 10.00 H new ATOM 0 HD21 LEU A 27 17.049 2.216 7.499 1.00 10.00 H new ATOM 0 HD22 LEU A 27 17.199 1.589 5.840 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.897 2.733 6.244 1.00 10.00 H new ATOM 465 N MET A 28 17.305 -1.992 4.739 1.00 10.00 N ATOM 466 CA MET A 28 17.675 -3.439 4.798 1.00 10.00 C ATOM 467 C MET A 28 18.837 -3.642 5.784 1.00 10.00 C ATOM 468 O MET A 28 19.980 -3.379 5.455 1.00 10.00 O ATOM 469 CB MET A 28 18.101 -3.803 3.370 1.00 10.00 C ATOM 470 CG MET A 28 17.258 -4.977 2.867 1.00 10.00 C ATOM 471 SD MET A 28 18.006 -5.655 1.364 1.00 10.00 S ATOM 472 CE MET A 28 17.102 -7.223 1.342 1.00 10.00 C ATOM 0 H MET A 28 18.093 -1.345 4.766 1.00 10.00 H new ATOM 0 HA MET A 28 16.852 -4.066 5.142 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.975 -2.943 2.712 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.158 -4.067 3.351 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.194 -5.748 3.634 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.240 -4.646 2.662 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.415 -7.811 0.479 1.00 10.00 H new ATOM 0 HE2 MET A 28 17.314 -7.778 2.256 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.032 -7.025 1.278 1.00 10.00 H new ATOM 482 N PRO A 29 18.506 -4.097 6.971 1.00 10.00 N ATOM 483 CA PRO A 29 19.538 -4.328 8.016 1.00 10.00 C ATOM 484 C PRO A 29 20.385 -5.567 7.701 1.00 10.00 C ATOM 485 O PRO A 29 20.156 -6.262 6.729 1.00 10.00 O ATOM 486 CB PRO A 29 18.723 -4.540 9.288 1.00 10.00 C ATOM 487 CG PRO A 29 17.384 -5.017 8.821 1.00 10.00 C ATOM 488 CD PRO A 29 17.156 -4.435 7.449 1.00 10.00 C ATOM 0 HA PRO A 29 20.244 -3.501 8.094 1.00 10.00 H new ATOM 0 HB2 PRO A 29 19.196 -5.273 9.941 1.00 10.00 H new ATOM 0 HB3 PRO A 29 18.635 -3.615 9.858 1.00 10.00 H new ATOM 0 HG2 PRO A 29 17.354 -6.106 8.787 1.00 10.00 H new ATOM 0 HG3 PRO A 29 16.601 -4.698 9.509 1.00 10.00 H new ATOM 0 HD2 PRO A 29 16.668 -5.152 6.789 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.516 -3.553 7.492 1.00 10.00 H new ATOM 496 N GLN A 30 21.363 -5.843 8.528 1.00 10.00 N ATOM 497 CA GLN A 30 22.240 -7.033 8.300 1.00 10.00 C ATOM 498 C GLN A 30 22.613 -7.684 9.640 1.00 10.00 C ATOM 499 O GLN A 30 22.820 -7.007 10.630 1.00 10.00 O ATOM 500 CB GLN A 30 23.490 -6.481 7.606 1.00 10.00 C ATOM 501 CG GLN A 30 23.297 -6.516 6.086 1.00 10.00 C ATOM 502 CD GLN A 30 24.356 -7.425 5.454 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.307 -6.953 4.865 1.00 10.00 O ATOM 504 NE2 GLN A 30 24.229 -8.721 5.552 1.00 10.00 N ATOM 0 H GLN A 30 21.593 -5.292 9.355 1.00 10.00 H new ATOM 0 HA GLN A 30 21.746 -7.799 7.702 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.678 -5.459 7.935 1.00 10.00 H new ATOM 0 HB3 GLN A 30 24.363 -7.071 7.885 1.00 10.00 H new ATOM 0 HG2 GLN A 30 22.299 -6.881 5.844 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.376 -5.509 5.676 1.00 10.00 H new ATOM 0 HE21 GLN A 30 23.431 -9.119 6.046 1.00 10.00 H new ATOM 0 HE22 GLN A 30 24.928 -9.335 5.134 1.00 10.00 H new ATOM 513 N LEU A 31 22.701 -8.991 9.674 1.00 10.00 N ATOM 514 CA LEU A 31 23.062 -9.693 10.948 1.00 10.00 C ATOM 515 C LEU A 31 23.869 -10.966 10.653 1.00 10.00 C ATOM 516 O LEU A 31 23.537 -11.653 9.698 1.00 10.00 O ATOM 517 CB LEU A 31 21.722 -10.044 11.603 1.00 10.00 C ATOM 518 CG LEU A 31 21.814 -9.817 13.115 1.00 10.00 C ATOM 519 CD1 LEU A 31 20.420 -9.531 13.677 1.00 10.00 C ATOM 520 CD2 LEU A 31 22.385 -11.070 13.787 1.00 10.00 C ATOM 521 OXT LEU A 31 24.803 -11.233 11.392 1.00 10.00 O ATOM 0 H LEU A 31 22.539 -9.604 8.875 1.00 10.00 H new ATOM 0 HA LEU A 31 23.683 -9.073 11.595 1.00 10.00 H new ATOM 0 HB2 LEU A 31 20.927 -9.429 11.181 1.00 10.00 H new ATOM 0 HB3 LEU A 31 21.466 -11.083 11.396 1.00 10.00 H new ATOM 0 HG LEU A 31 22.467 -8.967 13.313 1.00 10.00 H new ATOM 0 HD11 LEU A 31 20.487 -9.370 14.753 1.00 10.00 H new ATOM 0 HD12 LEU A 31 20.012 -8.639 13.201 1.00 10.00 H new ATOM 0 HD13 LEU A 31 19.766 -10.380 13.478 1.00 10.00 H new ATOM 0 HD21 LEU A 31 22.450 -10.908 14.863 1.00 10.00 H new ATOM 0 HD22 LEU A 31 21.732 -11.920 13.587 1.00 10.00 H new ATOM 0 HD23 LEU A 31 23.379 -11.275 13.390 1.00 10.00 H new TER 533 LEU A 31