USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 hydrogens (5 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= -0.0103 (180deg=-0.131) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0.28 (180deg=0.00631) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=0.000798 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0732) USER MOD Single : A 20 TYR OH : rot -166:sc= -0.798 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= -0.0214 (180deg=-0.149) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0709) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 14.987 -2.845 3.523 1.00 0.00 C HETATM 2 O ACE A 0 14.987 -2.721 4.749 1.00 0.00 O HETATM 3 CH3 ACE A 0 15.280 -1.670 2.632 1.00 0.00 C HETATM 0 H1 ACE A 0 16.158 -1.885 2.023 1.00 0.00 H new HETATM 0 H2 ACE A 0 14.425 -1.484 1.982 1.00 0.00 H new HETATM 0 H3 ACE A 0 15.470 -0.788 3.244 1.00 0.00 H new ATOM 7 N PRO A 1 14.724 -4.015 2.930 1.00 0.00 N ATOM 8 CA PRO A 1 13.545 -4.237 2.086 1.00 0.00 C ATOM 9 C PRO A 1 12.252 -3.864 2.806 1.00 0.00 C ATOM 10 O PRO A 1 11.963 -4.381 3.885 1.00 0.00 O ATOM 11 CB PRO A 1 13.577 -5.748 1.799 1.00 0.00 C ATOM 12 CG PRO A 1 14.581 -6.321 2.740 1.00 0.00 C ATOM 13 CD PRO A 1 15.557 -5.217 3.031 1.00 0.00 C ATOM 0 HA PRO A 1 13.569 -3.623 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 1 12.596 -6.196 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 1 13.856 -5.943 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 1 14.103 -6.670 3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.085 -7.180 2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.001 -5.320 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.377 -5.202 2.314 1.00 0.00 H new ATOM 21 N PRO A 2 11.465 -2.952 2.220 1.00 0.00 N ATOM 22 CA PRO A 2 10.206 -2.505 2.815 1.00 0.00 C ATOM 23 C PRO A 2 9.097 -3.540 2.654 1.00 0.00 C ATOM 24 O PRO A 2 9.087 -4.311 1.693 1.00 0.00 O ATOM 25 CB PRO A 2 9.879 -1.231 2.036 1.00 0.00 C ATOM 26 CG PRO A 2 10.554 -1.383 0.717 1.00 0.00 C ATOM 27 CD PRO A 2 11.739 -2.293 0.928 1.00 0.00 C ATOM 0 HA PRO A 2 10.290 -2.346 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.802 -1.112 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.240 -0.347 2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.870 -1.805 -0.019 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.875 -0.414 0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.831 -3.021 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.672 -1.731 0.958 1.00 0.00 H new ATOM 35 N LYS A 3 8.170 -3.555 3.597 1.00 0.00 N ATOM 36 CA LYS A 3 7.066 -4.503 3.570 1.00 0.00 C ATOM 37 C LYS A 3 5.838 -3.874 2.920 1.00 0.00 C ATOM 38 O LYS A 3 5.465 -2.745 3.243 1.00 0.00 O ATOM 39 CB LYS A 3 6.735 -4.961 4.992 1.00 0.00 C ATOM 40 CG LYS A 3 5.595 -5.963 5.070 1.00 0.00 C ATOM 41 CD LYS A 3 5.302 -6.344 6.511 1.00 0.00 C ATOM 42 CE LYS A 3 4.114 -7.283 6.616 1.00 0.00 C ATOM 43 NZ LYS A 3 3.814 -7.632 8.029 1.00 0.00 N ATOM 0 H LYS A 3 8.159 -2.919 4.394 1.00 0.00 H new ATOM 0 HA LYS A 3 7.364 -5.369 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.626 -5.405 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.480 -4.088 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.701 -5.538 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.851 -6.856 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.181 -6.819 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.106 -5.443 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.240 -6.816 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.318 -8.193 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.997 -8.275 8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.640 -8.100 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.595 -6.766 8.561 1.00 0.00 H new ATOM 57 N LYS A 4 5.220 -4.604 2.005 1.00 0.00 N ATOM 58 CA LYS A 4 4.044 -4.113 1.302 1.00 0.00 C ATOM 59 C LYS A 4 2.785 -4.563 2.035 1.00 0.00 C ATOM 60 O LYS A 4 2.631 -5.752 2.326 1.00 0.00 O ATOM 61 CB LYS A 4 4.030 -4.633 -0.145 1.00 0.00 C ATOM 62 CG LYS A 4 2.967 -3.989 -1.027 1.00 0.00 C ATOM 63 CD LYS A 4 3.015 -4.531 -2.449 1.00 0.00 C ATOM 64 CE LYS A 4 1.986 -3.851 -3.343 1.00 0.00 C ATOM 65 NZ LYS A 4 2.072 -4.311 -4.755 1.00 0.00 N ATOM 0 H LYS A 4 5.514 -5.541 1.731 1.00 0.00 H new ATOM 0 HA LYS A 4 4.074 -3.024 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.010 -4.461 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.871 -5.711 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.980 -4.171 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.113 -2.909 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.012 -4.382 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.833 -5.606 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.986 -4.051 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.132 -2.772 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.353 -3.821 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.017 -4.098 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.906 -5.337 -4.797 1.00 0.00 H new ATOM 79 N PRO A 5 1.872 -3.631 2.361 1.00 0.00 N ATOM 80 CA PRO A 5 0.630 -3.963 3.059 1.00 0.00 C ATOM 81 C PRO A 5 -0.323 -4.750 2.167 1.00 0.00 C ATOM 82 O PRO A 5 -0.199 -4.727 0.939 1.00 0.00 O ATOM 83 CB PRO A 5 0.024 -2.601 3.423 1.00 0.00 C ATOM 84 CG PRO A 5 1.058 -1.575 3.094 1.00 0.00 C ATOM 85 CD PRO A 5 1.967 -2.192 2.069 1.00 0.00 C ATOM 0 HA PRO A 5 0.810 -4.594 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.893 -2.422 2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.238 -2.563 4.480 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.594 -0.669 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.617 -1.289 3.985 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.643 -1.965 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.990 -1.828 2.166 1.00 0.00 H new ATOM 93 N LYS A 6 -1.259 -5.456 2.780 1.00 0.00 N ATOM 94 CA LYS A 6 -2.225 -6.248 2.035 1.00 0.00 C ATOM 95 C LYS A 6 -3.224 -5.344 1.323 1.00 0.00 C ATOM 96 O LYS A 6 -3.968 -4.598 1.960 1.00 0.00 O ATOM 97 CB LYS A 6 -2.959 -7.214 2.970 1.00 0.00 C ATOM 98 CG LYS A 6 -2.043 -8.218 3.643 1.00 0.00 C ATOM 99 CD LYS A 6 -2.821 -9.174 4.532 1.00 0.00 C ATOM 100 CE LYS A 6 -1.897 -10.127 5.275 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.098 -10.971 4.349 1.00 0.00 N ATOM 0 H LYS A 6 -1.371 -5.497 3.793 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.687 -6.828 1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.481 -6.640 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.718 -7.751 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.502 -8.784 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.298 -7.690 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.411 -8.605 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.523 -9.746 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.224 -9.554 5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.489 -10.768 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.613 -11.716 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.728 -11.408 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.393 -10.381 3.862 1.00 0.00 H new ATOM 115 N LYS A 7 -3.215 -5.403 0.002 1.00 0.00 N ATOM 116 CA LYS A 7 -4.115 -4.603 -0.814 1.00 0.00 C ATOM 117 C LYS A 7 -5.547 -5.121 -0.701 1.00 0.00 C ATOM 118 O LYS A 7 -5.793 -6.318 -0.863 1.00 0.00 O ATOM 119 CB LYS A 7 -3.671 -4.642 -2.284 1.00 0.00 C ATOM 120 CG LYS A 7 -4.577 -3.857 -3.217 1.00 0.00 C ATOM 121 CD LYS A 7 -4.186 -4.053 -4.672 1.00 0.00 C ATOM 122 CE LYS A 7 -5.231 -3.467 -5.609 1.00 0.00 C ATOM 123 NZ LYS A 7 -6.549 -4.140 -5.451 1.00 0.00 N ATOM 0 H LYS A 7 -2.588 -6.003 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.081 -3.575 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.658 -4.247 -2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.634 -5.680 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.610 -4.172 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.528 -2.797 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.222 -3.581 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.065 -5.116 -4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.341 -2.401 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.892 -3.567 -6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.198 -3.811 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.425 -5.170 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.947 -3.910 -4.518 1.00 0.00 H new ATOM 137 N PRO A 8 -6.505 -4.235 -0.390 1.00 0.00 N ATOM 138 CA PRO A 8 -7.928 -4.578 -0.413 1.00 0.00 C ATOM 139 C PRO A 8 -8.391 -4.943 -1.823 1.00 0.00 C ATOM 140 O PRO A 8 -7.899 -4.388 -2.814 1.00 0.00 O ATOM 141 CB PRO A 8 -8.626 -3.300 0.073 1.00 0.00 C ATOM 142 CG PRO A 8 -7.564 -2.486 0.722 1.00 0.00 C ATOM 143 CD PRO A 8 -6.280 -2.844 0.035 1.00 0.00 C ATOM 0 HA PRO A 8 -8.153 -5.446 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.080 -2.761 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.426 -3.533 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.775 -1.421 0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.507 -2.701 1.789 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.081 -2.190 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.426 -2.761 0.708 1.00 0.00 H new ATOM 151 N GLY A 9 -9.328 -5.877 -1.910 1.00 0.00 N ATOM 152 CA GLY A 9 -9.786 -6.350 -3.199 1.00 0.00 C ATOM 153 C GLY A 9 -11.018 -5.610 -3.684 1.00 0.00 C ATOM 154 O GLY A 9 -11.043 -4.380 -3.700 1.00 0.00 O ATOM 0 H GLY A 9 -9.780 -6.316 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.986 -6.235 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.008 -7.415 -3.134 1.00 0.00 H new ATOM 158 N ASP A 10 -12.045 -6.356 -4.074 1.00 0.00 N ATOM 159 CA ASP A 10 -13.272 -5.762 -4.601 1.00 0.00 C ATOM 160 C ASP A 10 -14.211 -5.373 -3.473 1.00 0.00 C ATOM 161 O ASP A 10 -15.057 -4.494 -3.627 1.00 0.00 O ATOM 162 CB ASP A 10 -13.991 -6.731 -5.543 1.00 0.00 C ATOM 163 CG ASP A 10 -13.210 -7.018 -6.807 1.00 0.00 C ATOM 164 OD1 ASP A 10 -13.393 -6.288 -7.806 1.00 0.00 O ATOM 165 OD2 ASP A 10 -12.414 -7.981 -6.814 1.00 0.00 O ATOM 0 H ASP A 10 -12.054 -7.375 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.988 -4.869 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.178 -7.668 -5.018 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.963 -6.316 -5.810 1.00 0.00 H new ATOM 170 N ASN A 11 -14.060 -6.031 -2.339 1.00 0.00 N ATOM 171 CA ASN A 11 -14.916 -5.775 -1.191 1.00 0.00 C ATOM 172 C ASN A 11 -14.295 -4.715 -0.294 1.00 0.00 C ATOM 173 O ASN A 11 -13.910 -4.993 0.844 1.00 0.00 O ATOM 174 CB ASN A 11 -15.171 -7.063 -0.398 1.00 0.00 C ATOM 175 CG ASN A 11 -15.964 -8.089 -1.190 1.00 0.00 C ATOM 176 OD1 ASN A 11 -17.194 -8.096 -1.155 1.00 0.00 O ATOM 177 ND2 ASN A 11 -15.271 -8.966 -1.900 1.00 0.00 N ATOM 0 H ASN A 11 -13.352 -6.749 -2.186 1.00 0.00 H new ATOM 0 HA ASN A 11 -15.874 -5.407 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.216 -7.497 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.710 -6.821 0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.756 -9.680 -2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.252 -8.928 -1.904 1.00 0.00 H new ATOM 184 N ALA A 12 -14.170 -3.508 -0.828 1.00 0.00 N ATOM 185 CA ALA A 12 -13.619 -2.387 -0.086 1.00 0.00 C ATOM 186 C ALA A 12 -13.963 -1.074 -0.768 1.00 0.00 C ATOM 187 O ALA A 12 -13.991 -0.990 -1.999 1.00 0.00 O ATOM 188 CB ALA A 12 -12.113 -2.533 0.056 1.00 0.00 C ATOM 0 H ALA A 12 -14.447 -3.281 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.062 -2.383 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.716 -1.685 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.886 -3.456 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.655 -2.562 -0.933 1.00 0.00 H new ATOM 194 N THR A 13 -14.228 -0.057 0.036 1.00 0.00 N ATOM 195 CA THR A 13 -14.595 1.253 -0.474 1.00 0.00 C ATOM 196 C THR A 13 -13.364 2.005 -0.977 1.00 0.00 C ATOM 197 O THR A 13 -12.241 1.710 -0.560 1.00 0.00 O ATOM 198 CB THR A 13 -15.292 2.087 0.615 1.00 0.00 C ATOM 199 OG1 THR A 13 -14.480 2.134 1.795 1.00 0.00 O ATOM 200 CG2 THR A 13 -16.655 1.506 0.948 1.00 0.00 C ATOM 0 H THR A 13 -14.195 -0.116 1.054 1.00 0.00 H new ATOM 0 HA THR A 13 -15.284 1.102 -1.305 1.00 0.00 H new ATOM 0 HB THR A 13 -15.431 3.099 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.931 2.668 2.482 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.130 2.111 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.278 1.504 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.537 0.485 1.310 1.00 0.00 H new ATOM 208 N PRO A 14 -13.549 2.973 -1.893 1.00 0.00 N ATOM 209 CA PRO A 14 -12.455 3.820 -2.382 1.00 0.00 C ATOM 210 C PRO A 14 -11.671 4.476 -1.249 1.00 0.00 C ATOM 211 O PRO A 14 -10.455 4.649 -1.345 1.00 0.00 O ATOM 212 CB PRO A 14 -13.176 4.879 -3.215 1.00 0.00 C ATOM 213 CG PRO A 14 -14.409 4.204 -3.687 1.00 0.00 C ATOM 214 CD PRO A 14 -14.830 3.295 -2.560 1.00 0.00 C ATOM 0 HA PRO A 14 -11.715 3.246 -2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.410 5.761 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.561 5.213 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.189 4.929 -3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.221 3.637 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.525 3.790 -1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.329 2.399 -2.930 1.00 0.00 H new ATOM 222 N GLU A 15 -12.368 4.839 -0.176 1.00 0.00 N ATOM 223 CA GLU A 15 -11.726 5.454 0.979 1.00 0.00 C ATOM 224 C GLU A 15 -10.795 4.462 1.673 1.00 0.00 C ATOM 225 O GLU A 15 -9.752 4.845 2.213 1.00 0.00 O ATOM 226 CB GLU A 15 -12.768 5.987 1.966 1.00 0.00 C ATOM 227 CG GLU A 15 -12.161 6.772 3.116 1.00 0.00 C ATOM 228 CD GLU A 15 -13.199 7.286 4.086 1.00 0.00 C ATOM 229 OE1 GLU A 15 -13.836 8.318 3.792 1.00 0.00 O ATOM 230 OE2 GLU A 15 -13.379 6.667 5.154 1.00 0.00 O ATOM 0 H GLU A 15 -13.377 4.718 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.131 6.295 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.472 6.625 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.339 5.150 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.454 6.137 3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.595 7.614 2.717 1.00 0.00 H new ATOM 237 N LYS A 16 -11.168 3.185 1.648 1.00 0.00 N ATOM 238 CA LYS A 16 -10.345 2.137 2.232 1.00 0.00 C ATOM 239 C LYS A 16 -9.092 1.947 1.386 1.00 0.00 C ATOM 240 O LYS A 16 -7.996 1.744 1.910 1.00 0.00 O ATOM 241 CB LYS A 16 -11.142 0.826 2.335 1.00 0.00 C ATOM 242 CG LYS A 16 -10.395 -0.313 3.020 1.00 0.00 C ATOM 243 CD LYS A 16 -10.104 0.001 4.483 1.00 0.00 C ATOM 244 CE LYS A 16 -9.467 -1.182 5.203 1.00 0.00 C ATOM 245 NZ LYS A 16 -10.415 -2.317 5.376 1.00 0.00 N ATOM 0 H LYS A 16 -12.037 2.854 1.228 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.049 2.428 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.066 1.018 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.425 0.507 1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.986 -1.227 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.458 -0.501 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.440 0.863 4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.031 0.276 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.597 -1.521 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.108 -0.859 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.997 -3.025 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.305 -1.967 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.606 -2.753 4.452 1.00 0.00 H new ATOM 259 N LEU A 17 -9.261 2.042 0.072 1.00 0.00 N ATOM 260 CA LEU A 17 -8.132 1.981 -0.848 1.00 0.00 C ATOM 261 C LEU A 17 -7.220 3.182 -0.657 1.00 0.00 C ATOM 262 O LEU A 17 -6.005 3.063 -0.766 1.00 0.00 O ATOM 263 CB LEU A 17 -8.595 1.913 -2.309 1.00 0.00 C ATOM 264 CG LEU A 17 -8.828 0.509 -2.879 1.00 0.00 C ATOM 265 CD1 LEU A 17 -7.588 -0.358 -2.706 1.00 0.00 C ATOM 266 CD2 LEU A 17 -10.038 -0.145 -2.236 1.00 0.00 C ATOM 0 H LEU A 17 -10.168 2.161 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.580 1.069 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.522 2.479 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.852 2.415 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.027 0.608 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.777 -1.349 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.749 0.099 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.350 -0.445 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.181 -1.140 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.879 -0.226 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.924 0.461 -2.427 1.00 0.00 H new ATOM 278 N ALA A 18 -7.813 4.334 -0.364 1.00 0.00 N ATOM 279 CA ALA A 18 -7.053 5.551 -0.131 1.00 0.00 C ATOM 280 C ALA A 18 -6.091 5.363 1.031 1.00 0.00 C ATOM 281 O ALA A 18 -4.951 5.829 0.994 1.00 0.00 O ATOM 282 CB ALA A 18 -7.990 6.709 0.143 1.00 0.00 C ATOM 0 H ALA A 18 -8.823 4.448 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.473 5.775 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.408 7.615 0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.646 6.857 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.591 6.490 1.026 1.00 0.00 H new ATOM 288 N ALA A 19 -6.564 4.672 2.057 1.00 0.00 N ATOM 289 CA ALA A 19 -5.737 4.340 3.202 1.00 0.00 C ATOM 290 C ALA A 19 -4.555 3.485 2.775 1.00 0.00 C ATOM 291 O ALA A 19 -3.417 3.727 3.180 1.00 0.00 O ATOM 292 CB ALA A 19 -6.562 3.618 4.249 1.00 0.00 C ATOM 0 H ALA A 19 -7.523 4.329 2.118 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.353 5.264 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.932 3.373 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.381 4.260 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.968 2.700 3.823 1.00 0.00 H new ATOM 298 N TYR A 20 -4.830 2.490 1.943 1.00 0.00 N ATOM 299 CA TYR A 20 -3.789 1.616 1.435 1.00 0.00 C ATOM 300 C TYR A 20 -2.818 2.385 0.552 1.00 0.00 C ATOM 301 O TYR A 20 -1.610 2.239 0.683 1.00 0.00 O ATOM 302 CB TYR A 20 -4.389 0.451 0.651 1.00 0.00 C ATOM 303 CG TYR A 20 -3.345 -0.445 0.029 1.00 0.00 C ATOM 304 CD1 TYR A 20 -3.104 -0.419 -1.338 1.00 0.00 C ATOM 305 CD2 TYR A 20 -2.595 -1.309 0.810 1.00 0.00 C ATOM 306 CE1 TYR A 20 -2.144 -1.233 -1.907 1.00 0.00 C ATOM 307 CE2 TYR A 20 -1.635 -2.124 0.248 1.00 0.00 C ATOM 308 CZ TYR A 20 -1.415 -2.084 -1.107 1.00 0.00 C ATOM 309 OH TYR A 20 -0.458 -2.899 -1.661 1.00 0.00 O ATOM 0 H TYR A 20 -5.768 2.270 1.607 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.245 1.219 2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.018 -0.141 1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.036 0.844 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.676 0.248 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.765 -1.345 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.966 -1.202 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.058 -2.791 0.871 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.196 -3.584 -1.011 1.00 0.00 H new ATOM 319 N GLU A 21 -3.355 3.210 -0.340 1.00 0.00 N ATOM 320 CA GLU A 21 -2.528 3.988 -1.256 1.00 0.00 C ATOM 321 C GLU A 21 -1.618 4.945 -0.495 1.00 0.00 C ATOM 322 O GLU A 21 -0.541 5.300 -0.972 1.00 0.00 O ATOM 323 CB GLU A 21 -3.390 4.774 -2.248 1.00 0.00 C ATOM 324 CG GLU A 21 -4.208 3.903 -3.193 1.00 0.00 C ATOM 325 CD GLU A 21 -4.830 4.699 -4.318 1.00 0.00 C ATOM 326 OE1 GLU A 21 -5.768 5.478 -4.060 1.00 0.00 O ATOM 327 OE2 GLU A 21 -4.382 4.547 -5.472 1.00 0.00 O ATOM 0 H GLU A 21 -4.358 3.357 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.910 3.283 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.067 5.421 -1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.744 5.423 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.568 3.126 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.994 3.400 -2.630 1.00 0.00 H new ATOM 334 N LYS A 22 -2.054 5.352 0.693 1.00 0.00 N ATOM 335 CA LYS A 22 -1.261 6.227 1.543 1.00 0.00 C ATOM 336 C LYS A 22 -0.022 5.489 2.049 1.00 0.00 C ATOM 337 O LYS A 22 1.063 6.067 2.153 1.00 0.00 O ATOM 338 CB LYS A 22 -2.110 6.731 2.716 1.00 0.00 C ATOM 339 CG LYS A 22 -1.392 7.704 3.647 1.00 0.00 C ATOM 340 CD LYS A 22 -2.302 8.165 4.780 1.00 0.00 C ATOM 341 CE LYS A 22 -1.601 9.142 5.716 1.00 0.00 C ATOM 342 NZ LYS A 22 -0.406 8.540 6.370 1.00 0.00 N ATOM 0 H LYS A 22 -2.956 5.087 1.088 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.933 7.088 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.001 7.218 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.448 5.874 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.505 7.225 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.050 8.569 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.190 8.638 4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.640 7.299 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.298 10.026 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.302 9.475 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.073 9.167 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.659 7.615 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.350 8.417 5.666 1.00 0.00 H new ATOM 356 N GLU A 23 -0.189 4.206 2.347 1.00 0.00 N ATOM 357 CA GLU A 23 0.929 3.368 2.756 1.00 0.00 C ATOM 358 C GLU A 23 1.696 2.870 1.535 1.00 0.00 C ATOM 359 O GLU A 23 2.911 2.696 1.579 1.00 0.00 O ATOM 360 CB GLU A 23 0.442 2.177 3.588 1.00 0.00 C ATOM 361 CG GLU A 23 -0.149 2.572 4.931 1.00 0.00 C ATOM 362 CD GLU A 23 -0.496 1.371 5.785 1.00 0.00 C ATOM 363 OE1 GLU A 23 -1.672 0.963 5.798 1.00 0.00 O ATOM 364 OE2 GLU A 23 0.411 0.827 6.450 1.00 0.00 O ATOM 0 H GLU A 23 -1.088 3.725 2.313 1.00 0.00 H new ATOM 0 HA GLU A 23 1.596 3.972 3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.308 1.629 3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.276 1.496 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.561 3.202 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.046 3.170 4.768 1.00 0.00 H new ATOM 371 N LEU A 24 0.974 2.653 0.445 1.00 0.00 N ATOM 372 CA LEU A 24 1.571 2.190 -0.800 1.00 0.00 C ATOM 373 C LEU A 24 2.536 3.228 -1.347 1.00 0.00 C ATOM 374 O LEU A 24 3.615 2.892 -1.824 1.00 0.00 O ATOM 375 CB LEU A 24 0.494 1.895 -1.844 1.00 0.00 C ATOM 376 CG LEU A 24 1.016 1.291 -3.148 1.00 0.00 C ATOM 377 CD1 LEU A 24 1.648 -0.069 -2.897 1.00 0.00 C ATOM 378 CD2 LEU A 24 -0.103 1.187 -4.167 1.00 0.00 C ATOM 0 H LEU A 24 -0.035 2.792 0.398 1.00 0.00 H new ATOM 0 HA LEU A 24 2.116 1.271 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.236 1.212 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.033 2.821 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 24 1.786 1.950 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.012 -0.480 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.481 0.039 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.905 -0.743 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.284 0.755 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.896 0.551 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.503 2.180 -4.371 1.00 0.00 H new ATOM 390 N ALA A 25 2.143 4.492 -1.264 1.00 0.00 N ATOM 391 CA ALA A 25 2.981 5.585 -1.726 1.00 0.00 C ATOM 392 C ALA A 25 4.286 5.624 -0.948 1.00 0.00 C ATOM 393 O ALA A 25 5.353 5.889 -1.507 1.00 0.00 O ATOM 394 CB ALA A 25 2.241 6.899 -1.580 1.00 0.00 C ATOM 0 H ALA A 25 1.245 4.784 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 25 3.216 5.425 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.875 7.714 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.328 6.870 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.987 7.059 -0.532 1.00 0.00 H new ATOM 400 N ALA A 26 4.191 5.342 0.342 1.00 0.00 N ATOM 401 CA ALA A 26 5.359 5.286 1.199 1.00 0.00 C ATOM 402 C ALA A 26 6.215 4.077 0.846 1.00 0.00 C ATOM 403 O ALA A 26 7.442 4.166 0.771 1.00 0.00 O ATOM 404 CB ALA A 26 4.936 5.239 2.656 1.00 0.00 C ATOM 0 H ALA A 26 3.310 5.148 0.818 1.00 0.00 H new ATOM 0 HA ALA A 26 5.956 6.185 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.821 5.197 3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.359 6.132 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.324 4.354 2.829 1.00 0.00 H new ATOM 410 N TYR A 27 5.547 2.957 0.600 1.00 0.00 N ATOM 411 CA TYR A 27 6.218 1.724 0.229 1.00 0.00 C ATOM 412 C TYR A 27 6.960 1.886 -1.091 1.00 0.00 C ATOM 413 O TYR A 27 8.136 1.544 -1.193 1.00 0.00 O ATOM 414 CB TYR A 27 5.206 0.579 0.125 1.00 0.00 C ATOM 415 CG TYR A 27 5.789 -0.684 -0.462 1.00 0.00 C ATOM 416 CD1 TYR A 27 5.655 -0.968 -1.814 1.00 0.00 C ATOM 417 CD2 TYR A 27 6.482 -1.579 0.331 1.00 0.00 C ATOM 418 CE1 TYR A 27 6.200 -2.114 -2.356 1.00 0.00 C ATOM 419 CE2 TYR A 27 7.032 -2.729 -0.203 1.00 0.00 C ATOM 420 CZ TYR A 27 6.890 -2.993 -1.548 1.00 0.00 C ATOM 421 OH TYR A 27 7.434 -4.142 -2.087 1.00 0.00 O ATOM 0 H TYR A 27 4.531 2.881 0.652 1.00 0.00 H new ATOM 0 HA TYR A 27 6.945 1.486 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.811 0.361 1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.365 0.902 -0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.116 -0.282 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.596 -1.376 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.087 -2.322 -3.410 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.571 -3.418 0.431 1.00 0.00 H new ATOM 0 HH TYR A 27 7.888 -4.651 -1.383 1.00 0.00 H new ATOM 431 N GLU A 28 6.269 2.417 -2.094 1.00 0.00 N ATOM 432 CA GLU A 28 6.857 2.620 -3.413 1.00 0.00 C ATOM 433 C GLU A 28 8.040 3.579 -3.334 1.00 0.00 C ATOM 434 O GLU A 28 9.008 3.449 -4.084 1.00 0.00 O ATOM 435 CB GLU A 28 5.808 3.159 -4.392 1.00 0.00 C ATOM 436 CG GLU A 28 4.772 2.128 -4.818 1.00 0.00 C ATOM 437 CD GLU A 28 5.332 1.111 -5.793 1.00 0.00 C ATOM 438 OE1 GLU A 28 5.944 0.119 -5.349 1.00 0.00 O ATOM 439 OE2 GLU A 28 5.164 1.302 -7.016 1.00 0.00 O ATOM 0 H GLU A 28 5.297 2.716 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 28 7.214 1.656 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.297 4.004 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.315 3.538 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.394 1.611 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.924 2.637 -5.276 1.00 0.00 H new ATOM 446 N LYS A 29 7.958 4.534 -2.417 1.00 0.00 N ATOM 447 CA LYS A 29 9.038 5.482 -2.207 1.00 0.00 C ATOM 448 C LYS A 29 10.273 4.754 -1.691 1.00 0.00 C ATOM 449 O LYS A 29 11.359 4.863 -2.266 1.00 0.00 O ATOM 450 CB LYS A 29 8.612 6.568 -1.213 1.00 0.00 C ATOM 451 CG LYS A 29 9.651 7.662 -1.017 1.00 0.00 C ATOM 452 CD LYS A 29 9.125 8.782 -0.132 1.00 0.00 C ATOM 453 CE LYS A 29 10.140 9.904 0.015 1.00 0.00 C ATOM 454 NZ LYS A 29 11.362 9.464 0.739 1.00 0.00 N ATOM 0 H LYS A 29 7.152 4.671 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 29 9.276 5.958 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.683 7.020 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.401 6.103 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.549 7.236 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.939 8.068 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.203 9.179 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.878 8.383 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.418 10.272 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.683 10.737 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.965 10.288 0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.091 9.012 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.886 8.783 0.153 1.00 0.00 H new ATOM 468 N GLU A 30 10.088 3.998 -0.616 1.00 0.00 N ATOM 469 CA GLU A 30 11.179 3.260 0.006 1.00 0.00 C ATOM 470 C GLU A 30 11.686 2.142 -0.902 1.00 0.00 C ATOM 471 O GLU A 30 12.879 1.842 -0.923 1.00 0.00 O ATOM 472 CB GLU A 30 10.734 2.694 1.355 1.00 0.00 C ATOM 473 CG GLU A 30 10.354 3.770 2.359 1.00 0.00 C ATOM 474 CD GLU A 30 9.854 3.203 3.670 1.00 0.00 C ATOM 475 OE1 GLU A 30 8.673 3.434 4.012 1.00 0.00 O ATOM 476 OE2 GLU A 30 10.641 2.529 4.368 1.00 0.00 O ATOM 0 H GLU A 30 9.186 3.880 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 30 12.004 3.954 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.882 2.032 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.538 2.086 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.220 4.404 2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.582 4.407 1.927 1.00 0.00 H new ATOM 483 N LEU A 31 10.780 1.533 -1.656 1.00 0.00 N ATOM 484 CA LEU A 31 11.144 0.457 -2.572 1.00 0.00 C ATOM 485 C LEU A 31 12.072 0.972 -3.660 1.00 0.00 C ATOM 486 O LEU A 31 13.041 0.311 -4.025 1.00 0.00 O ATOM 487 CB LEU A 31 9.899 -0.168 -3.210 1.00 0.00 C ATOM 488 CG LEU A 31 10.152 -1.476 -3.955 1.00 0.00 C ATOM 489 CD1 LEU A 31 10.587 -2.562 -2.986 1.00 0.00 C ATOM 490 CD2 LEU A 31 8.909 -1.904 -4.712 1.00 0.00 C ATOM 0 H LEU A 31 9.787 1.765 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 31 11.661 -0.309 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.159 -0.347 -2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.463 0.551 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 31 10.954 -1.315 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.763 -3.488 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.505 -2.256 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.805 -2.722 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.107 -2.838 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.088 -2.049 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.638 -1.132 -5.433 1.00 0.00 H new ATOM 502 N ALA A 32 11.773 2.158 -4.170 1.00 0.00 N ATOM 503 CA ALA A 32 12.606 2.786 -5.183 1.00 0.00 C ATOM 504 C ALA A 32 13.994 3.109 -4.637 1.00 0.00 C ATOM 505 O ALA A 32 14.959 3.221 -5.391 1.00 0.00 O ATOM 506 CB ALA A 32 11.938 4.041 -5.706 1.00 0.00 C ATOM 0 H ALA A 32 10.957 2.706 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 32 12.727 2.081 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.572 4.502 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.975 3.784 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.786 4.742 -4.885 1.00 0.00 H new ATOM 512 N ALA A 33 14.089 3.265 -3.323 1.00 0.00 N ATOM 513 CA ALA A 33 15.365 3.514 -2.675 1.00 0.00 C ATOM 514 C ALA A 33 16.150 2.217 -2.515 1.00 0.00 C ATOM 515 O ALA A 33 17.380 2.222 -2.451 1.00 0.00 O ATOM 516 CB ALA A 33 15.143 4.173 -1.325 1.00 0.00 C ATOM 0 H ALA A 33 13.294 3.223 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 33 15.949 4.188 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.105 4.356 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.621 5.120 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.543 3.517 -0.694 1.00 0.00 H new ATOM 522 N TYR A 34 15.426 1.108 -2.455 1.00 0.00 N ATOM 523 CA TYR A 34 16.031 -0.205 -2.310 1.00 0.00 C ATOM 524 C TYR A 34 16.461 -0.751 -3.669 1.00 0.00 C ATOM 525 O TYR A 34 17.465 -1.458 -3.784 1.00 0.00 O ATOM 526 CB TYR A 34 15.040 -1.161 -1.636 1.00 0.00 C ATOM 527 CG TYR A 34 15.577 -2.557 -1.420 1.00 0.00 C ATOM 528 CD1 TYR A 34 16.690 -2.775 -0.621 1.00 0.00 C ATOM 529 CD2 TYR A 34 14.968 -3.654 -2.015 1.00 0.00 C ATOM 530 CE1 TYR A 34 17.184 -4.049 -0.422 1.00 0.00 C ATOM 531 CE2 TYR A 34 15.456 -4.931 -1.818 1.00 0.00 C ATOM 532 CZ TYR A 34 16.563 -5.125 -1.023 1.00 0.00 C ATOM 533 OH TYR A 34 17.049 -6.398 -0.825 1.00 0.00 O ATOM 0 H TYR A 34 14.407 1.095 -2.505 1.00 0.00 H new ATOM 0 HA TYR A 34 16.919 -0.117 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 34 14.747 -0.743 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 34 14.138 -1.221 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 34 17.177 -1.936 -0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 34 14.100 -3.507 -2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 34 18.053 -4.203 0.201 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.971 -5.775 -2.286 1.00 0.00 H new ATOM 0 HH TYR A 34 16.496 -7.040 -1.318 1.00 0.00 H new HETATM 543 N NH2 A 35 15.698 -0.423 -4.701 1.00 0.00 N TER 546 NH2 A 35