USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 hydrogens (3 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 142 SER OG : rot 62:sc= 0.328 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 140 1.186 -3.701 22.822 1.00 0.00 C HETATM 2 O ACE A 140 2.401 -3.835 22.684 1.00 0.00 O HETATM 3 CH3 ACE A 140 0.240 -4.411 21.916 1.00 0.00 C HETATM 0 H1 ACE A 140 -0.401 -5.069 22.503 1.00 0.00 H new HETATM 0 H2 ACE A 140 -0.375 -3.682 21.388 1.00 0.00 H new HETATM 0 H3 ACE A 140 0.803 -5.002 21.194 1.00 0.00 H new ATOM 7 N GLY A 141 0.615 -2.947 23.749 1.00 0.00 N ATOM 8 CA GLY A 141 1.416 -2.197 24.702 1.00 0.00 C ATOM 9 C GLY A 141 2.634 -1.571 24.021 1.00 0.00 C ATOM 10 O GLY A 141 3.770 -1.811 24.430 1.00 0.00 O ATOM 0 H GLY A 141 -0.393 -2.839 23.861 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.808 -1.416 25.158 1.00 0.00 H new ATOM 0 HA3 GLY A 141 1.743 -2.856 25.506 1.00 0.00 H new ATOM 14 N SER A 142 2.358 -0.780 22.995 1.00 0.00 N ATOM 15 CA SER A 142 3.417 -0.118 22.254 1.00 0.00 C ATOM 16 C SER A 142 2.896 1.188 21.650 1.00 0.00 C ATOM 17 O SER A 142 2.991 1.399 20.442 1.00 0.00 O ATOM 18 CB SER A 142 3.972 -1.026 21.155 1.00 0.00 C ATOM 19 OG SER A 142 2.987 -1.341 20.174 1.00 0.00 O ATOM 0 H SER A 142 1.415 -0.583 22.659 1.00 0.00 H new ATOM 0 HA SER A 142 4.229 0.107 22.946 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.819 -0.537 20.674 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.347 -1.947 21.601 1.00 0.00 H new ATOM 0 HG SER A 142 2.683 -0.517 19.739 1.00 0.00 H new ATOM 25 N GLY A 143 2.357 2.031 22.519 1.00 0.00 N ATOM 26 CA GLY A 143 1.821 3.310 22.087 1.00 0.00 C ATOM 27 C GLY A 143 0.723 3.119 21.039 1.00 0.00 C ATOM 28 O GLY A 143 1.000 2.712 19.912 1.00 0.00 O ATOM 0 H GLY A 143 2.280 1.853 23.520 1.00 0.00 H new ATOM 0 HA2 GLY A 143 1.420 3.849 22.945 1.00 0.00 H new ATOM 0 HA3 GLY A 143 2.622 3.922 21.672 1.00 0.00 H new ATOM 32 N VAL A 144 -0.500 3.421 21.448 1.00 0.00 N ATOM 33 CA VAL A 144 -1.641 3.287 20.558 1.00 0.00 C ATOM 34 C VAL A 144 -2.926 3.586 21.335 1.00 0.00 C ATOM 35 O VAL A 144 -3.269 2.870 22.274 1.00 0.00 O ATOM 36 CB VAL A 144 -1.642 1.900 19.913 1.00 0.00 C ATOM 37 CG1 VAL A 144 -1.011 1.943 18.520 1.00 0.00 C ATOM 38 CG2 VAL A 144 -0.932 0.880 20.806 1.00 0.00 C ATOM 0 H VAL A 144 -0.726 3.758 22.384 1.00 0.00 H new ATOM 0 HA VAL A 144 -1.577 4.009 19.744 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.679 1.583 19.801 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -1.024 0.944 18.084 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.577 2.624 17.885 1.00 0.00 H new ATOM 0 HG13 VAL A 144 0.019 2.291 18.598 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.947 -0.098 20.324 1.00 0.00 H new ATOM 0 HG22 VAL A 144 0.101 1.191 20.964 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.444 0.819 21.767 1.00 0.00 H new ATOM 48 N ARG A 145 -3.600 4.646 20.913 1.00 0.00 N ATOM 49 CA ARG A 145 -4.839 5.048 21.557 1.00 0.00 C ATOM 50 C ARG A 145 -5.563 6.095 20.708 1.00 0.00 C ATOM 51 O ARG A 145 -5.253 7.282 20.781 1.00 0.00 O ATOM 52 CB ARG A 145 -4.574 5.626 22.949 1.00 0.00 C ATOM 53 CG ARG A 145 -4.903 4.604 24.039 1.00 0.00 C ATOM 54 CD ARG A 145 -3.635 4.150 24.765 1.00 0.00 C ATOM 55 NE ARG A 145 -3.662 4.616 26.169 1.00 0.00 N ATOM 56 CZ ARG A 145 -2.571 4.695 26.961 1.00 0.00 C ATOM 57 NH1 ARG A 145 -1.357 4.338 26.493 1.00 0.00 N ATOM 58 NH2 ARG A 145 -2.711 5.126 28.201 1.00 0.00 N ATOM 0 H ARG A 145 -3.312 5.238 20.134 1.00 0.00 H new ATOM 0 HA ARG A 145 -5.464 4.160 21.657 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -3.529 5.925 23.030 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -5.175 6.524 23.094 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -5.599 5.041 24.755 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -5.401 3.742 23.596 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -3.558 3.063 24.735 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -2.755 4.546 24.259 1.00 0.00 H new ATOM 0 HE ARG A 145 -4.560 4.895 26.563 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -1.258 4.005 25.534 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.538 4.401 27.098 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -3.633 5.393 28.547 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -1.898 5.192 28.813 1.00 0.00 H new ATOM 71 N GLY A 146 -6.515 5.615 19.921 1.00 0.00 N ATOM 72 CA GLY A 146 -7.286 6.494 19.058 1.00 0.00 C ATOM 73 C GLY A 146 -8.190 5.690 18.122 1.00 0.00 C ATOM 74 O GLY A 146 -8.718 4.648 18.507 1.00 0.00 O ATOM 0 H GLY A 146 -6.770 4.629 19.863 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.892 7.166 19.666 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -6.611 7.117 18.471 1.00 0.00 H new ATOM 78 N ASP A 147 -8.340 6.203 16.909 1.00 0.00 N ATOM 79 CA ASP A 147 -9.170 5.545 15.915 1.00 0.00 C ATOM 80 C ASP A 147 -8.280 4.746 14.962 1.00 0.00 C ATOM 81 O ASP A 147 -7.127 5.109 14.732 1.00 0.00 O ATOM 82 CB ASP A 147 -9.952 6.567 15.087 1.00 0.00 C ATOM 83 CG ASP A 147 -9.096 7.632 14.398 1.00 0.00 C ATOM 84 OD1 ASP A 147 -8.176 7.314 13.631 1.00 0.00 O ATOM 85 OD2 ASP A 147 -9.411 8.851 14.681 1.00 0.00 O ATOM 0 H ASP A 147 -7.900 7.067 16.593 1.00 0.00 H new ATOM 0 HA ASP A 147 -9.870 4.893 16.438 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -10.524 6.035 14.327 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -10.671 7.065 15.737 1.00 0.00 H new ATOM 91 N PHE A 148 -8.849 3.673 14.432 1.00 0.00 N ATOM 92 CA PHE A 148 -8.121 2.819 13.509 1.00 0.00 C ATOM 93 C PHE A 148 -7.922 3.514 12.161 1.00 0.00 C ATOM 94 O PHE A 148 -8.694 4.398 11.794 1.00 0.00 O ATOM 95 CB PHE A 148 -8.968 1.561 13.301 1.00 0.00 C ATOM 96 CG PHE A 148 -9.045 0.653 14.529 1.00 0.00 C ATOM 97 CD1 PHE A 148 -7.996 -0.151 14.848 1.00 0.00 C ATOM 98 CD2 PHE A 148 -10.164 0.649 15.303 1.00 0.00 C ATOM 99 CE1 PHE A 148 -8.068 -0.995 15.988 1.00 0.00 C ATOM 100 CE2 PHE A 148 -10.236 -0.194 16.443 1.00 0.00 C ATOM 101 CZ PHE A 148 -9.186 -0.998 16.762 1.00 0.00 C ATOM 0 H PHE A 148 -9.806 3.376 14.624 1.00 0.00 H new ATOM 0 HA PHE A 148 -7.137 2.585 13.916 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -9.978 1.858 13.018 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -8.557 0.993 12.467 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -7.107 -0.148 14.234 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.998 1.287 15.050 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.235 -1.634 16.240 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -11.124 -0.197 17.057 1.00 0.00 H new ATOM 0 HZ PHE A 148 -9.240 -1.639 17.630 1.00 0.00 H new ATOM 111 N GLY A 149 -6.881 3.087 11.460 1.00 0.00 N ATOM 112 CA GLY A 149 -6.571 3.658 10.160 1.00 0.00 C ATOM 113 C GLY A 149 -5.159 4.248 10.144 1.00 0.00 C ATOM 114 O GLY A 149 -4.847 5.140 10.930 1.00 0.00 O ATOM 0 H GLY A 149 -6.243 2.353 11.767 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -6.657 2.890 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.296 4.434 9.917 1.00 0.00 H new ATOM 118 N SER A 150 -4.344 3.726 9.239 1.00 0.00 N ATOM 119 CA SER A 150 -2.973 4.190 9.109 1.00 0.00 C ATOM 120 C SER A 150 -2.565 4.212 7.635 1.00 0.00 C ATOM 121 O SER A 150 -3.258 3.652 6.787 1.00 0.00 O ATOM 122 CB SER A 150 -2.015 3.308 9.912 1.00 0.00 C ATOM 123 OG SER A 150 -2.144 3.519 11.316 1.00 0.00 O ATOM 0 H SER A 150 -4.607 2.986 8.588 1.00 0.00 H new ATOM 0 HA SER A 150 -2.915 5.202 9.510 1.00 0.00 H new ATOM 0 HB2 SER A 150 -2.210 2.260 9.684 1.00 0.00 H new ATOM 0 HB3 SER A 150 -0.989 3.516 9.607 1.00 0.00 H new ATOM 0 HG SER A 150 -1.517 2.936 11.793 1.00 0.00 H new ATOM 129 N LEU A 151 -1.442 4.866 7.375 1.00 0.00 N ATOM 130 CA LEU A 151 -0.934 4.968 6.018 1.00 0.00 C ATOM 131 C LEU A 151 -0.144 3.703 5.677 1.00 0.00 C ATOM 132 O LEU A 151 0.303 2.986 6.570 1.00 0.00 O ATOM 133 CB LEU A 151 -0.132 6.259 5.842 1.00 0.00 C ATOM 134 CG LEU A 151 1.306 6.232 6.364 1.00 0.00 C ATOM 135 CD1 LEU A 151 2.216 7.117 5.510 1.00 0.00 C ATOM 136 CD2 LEU A 151 1.360 6.615 7.844 1.00 0.00 C ATOM 0 H LEU A 151 -0.870 5.330 8.081 1.00 0.00 H new ATOM 0 HA LEU A 151 -1.758 5.032 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -0.108 6.506 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -0.665 7.066 6.345 1.00 0.00 H new ATOM 0 HG LEU A 151 1.679 5.211 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 151 3.232 7.080 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 151 2.211 6.758 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 151 1.854 8.145 5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 151 2.393 6.588 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 151 0.960 7.621 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 151 0.765 5.910 8.424 1.00 0.00 H new ATOM 148 N ALA A 152 0.003 3.467 4.381 1.00 0.00 N ATOM 149 CA ALA A 152 0.731 2.300 3.911 1.00 0.00 C ATOM 150 C ALA A 152 1.967 2.755 3.133 1.00 0.00 C ATOM 151 O ALA A 152 2.206 3.953 2.986 1.00 0.00 O ATOM 152 CB ALA A 152 -0.199 1.424 3.068 1.00 0.00 C ATOM 0 H ALA A 152 -0.369 4.064 3.642 1.00 0.00 H new ATOM 0 HA ALA A 152 1.074 1.697 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.346 0.549 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -1.046 1.104 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.561 1.995 2.213 1.00 0.00 H new ATOM 158 N PRO A 153 2.740 1.750 2.643 1.00 0.00 N ATOM 159 CA PRO A 153 3.946 2.034 1.884 1.00 0.00 C ATOM 160 C PRO A 153 3.604 2.508 0.469 1.00 0.00 C ATOM 161 O PRO A 153 2.432 2.635 0.120 1.00 0.00 O ATOM 162 CB PRO A 153 4.737 0.737 1.901 1.00 0.00 C ATOM 163 CG PRO A 153 3.742 -0.353 2.266 1.00 0.00 C ATOM 164 CD PRO A 153 2.488 0.320 2.797 1.00 0.00 C ATOM 0 HA PRO A 153 4.532 2.847 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 153 5.190 0.543 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 153 5.549 0.784 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 153 3.508 -0.963 1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 153 4.165 -1.020 3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 153 1.606 0.011 2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 153 2.311 0.059 3.840 1.00 0.00 H new ATOM 172 N ARG A 154 4.650 2.755 -0.306 1.00 0.00 N ATOM 173 CA ARG A 154 4.475 3.212 -1.674 1.00 0.00 C ATOM 174 C ARG A 154 5.366 2.405 -2.621 1.00 0.00 C ATOM 175 O ARG A 154 6.453 2.849 -2.986 1.00 0.00 O ATOM 176 CB ARG A 154 4.817 4.697 -1.807 1.00 0.00 C ATOM 177 CG ARG A 154 3.587 5.568 -1.540 1.00 0.00 C ATOM 178 CD ARG A 154 2.809 5.829 -2.831 1.00 0.00 C ATOM 179 NE ARG A 154 1.766 6.852 -2.596 1.00 0.00 N ATOM 180 CZ ARG A 154 2.022 8.163 -2.402 1.00 0.00 C ATOM 181 NH1 ARG A 154 3.291 8.623 -2.414 1.00 0.00 N ATOM 182 NH2 ARG A 154 1.012 8.989 -2.200 1.00 0.00 N ATOM 0 H ARG A 154 5.621 2.647 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 154 3.428 3.066 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 154 5.610 4.956 -1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 154 5.199 4.898 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 154 2.939 5.076 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 154 3.897 6.516 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 154 3.489 6.165 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 154 2.351 4.905 -3.182 1.00 0.00 H new ATOM 0 HE ARG A 154 0.793 6.547 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 154 4.066 7.978 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 154 3.475 9.615 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 154 0.056 8.633 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 154 1.188 9.983 -2.052 1.00 0.00 H new ATOM 195 N VAL A 155 4.872 1.232 -2.991 1.00 0.00 N ATOM 196 CA VAL A 155 5.609 0.359 -3.888 1.00 0.00 C ATOM 197 C VAL A 155 4.786 0.124 -5.156 1.00 0.00 C ATOM 198 O VAL A 155 3.687 0.661 -5.295 1.00 0.00 O ATOM 199 CB VAL A 155 5.980 -0.939 -3.167 1.00 0.00 C ATOM 200 CG1 VAL A 155 6.039 -0.727 -1.653 1.00 0.00 C ATOM 201 CG2 VAL A 155 5.007 -2.063 -3.526 1.00 0.00 C ATOM 0 H VAL A 155 3.970 0.866 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 155 6.546 0.827 -4.191 1.00 0.00 H new ATOM 0 HB VAL A 155 6.973 -1.237 -3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 155 6.305 -1.664 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 155 6.789 0.029 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 155 5.065 -0.394 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 155 5.293 -2.974 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 155 3.997 -1.777 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 155 5.036 -2.240 -4.601 1.00 0.00 H new ATOM 211 N ALA A 156 5.347 -0.678 -6.048 1.00 0.00 N ATOM 212 CA ALA A 156 4.678 -0.991 -7.299 1.00 0.00 C ATOM 213 C ALA A 156 4.900 -2.467 -7.637 1.00 0.00 C ATOM 214 O ALA A 156 3.962 -3.170 -8.007 1.00 0.00 O ATOM 215 CB ALA A 156 5.190 -0.058 -8.399 1.00 0.00 C ATOM 0 H ALA A 156 6.258 -1.121 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 156 3.603 -0.832 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 156 4.688 -0.293 -9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 156 4.982 0.976 -8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 156 6.265 -0.192 -8.519 1.00 0.00 H new ATOM 221 N ARG A 157 6.148 -2.892 -7.497 1.00 0.00 N ATOM 222 CA ARG A 157 6.505 -4.271 -7.782 1.00 0.00 C ATOM 223 C ARG A 157 5.428 -5.219 -7.249 1.00 0.00 C ATOM 224 O ARG A 157 5.234 -6.308 -7.787 1.00 0.00 O ATOM 225 CB ARG A 157 7.851 -4.633 -7.152 1.00 0.00 C ATOM 226 CG ARG A 157 8.053 -6.149 -7.124 1.00 0.00 C ATOM 227 CD ARG A 157 7.730 -6.720 -5.741 1.00 0.00 C ATOM 228 NE ARG A 157 6.770 -7.839 -5.867 1.00 0.00 N ATOM 229 CZ ARG A 157 6.660 -8.846 -4.974 1.00 0.00 C ATOM 230 NH1 ARG A 157 7.451 -8.882 -3.881 1.00 0.00 N ATOM 231 NH2 ARG A 157 5.767 -9.794 -5.187 1.00 0.00 N ATOM 0 H ARG A 157 6.924 -2.305 -7.190 1.00 0.00 H new ATOM 0 HA ARG A 157 6.584 -4.377 -8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.658 -4.165 -7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.900 -4.237 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 157 7.415 -6.618 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 157 9.083 -6.387 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 157 8.644 -7.067 -5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.311 -5.940 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 157 6.153 -7.850 -6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.138 -8.145 -3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 157 7.361 -9.646 -3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 157 5.173 -9.759 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 157 5.670 -10.562 -4.523 1.00 0.00 H new ATOM 244 N GLN A 158 4.757 -4.770 -6.199 1.00 0.00 N ATOM 245 CA GLN A 158 3.706 -5.565 -5.587 1.00 0.00 C ATOM 246 C GLN A 158 2.380 -5.342 -6.317 1.00 0.00 C ATOM 247 O GLN A 158 2.140 -4.266 -6.862 1.00 0.00 O ATOM 248 CB GLN A 158 3.572 -5.244 -4.097 1.00 0.00 C ATOM 249 CG GLN A 158 2.970 -6.426 -3.334 1.00 0.00 C ATOM 250 CD GLN A 158 3.612 -6.570 -1.952 1.00 0.00 C ATOM 251 OE1 GLN A 158 3.422 -5.756 -1.063 1.00 0.00 O ATOM 252 NE2 GLN A 158 4.381 -7.648 -1.822 1.00 0.00 N ATOM 0 H GLN A 158 4.921 -3.866 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 158 3.975 -6.618 -5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 158 4.551 -5.001 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 158 2.943 -4.364 -3.966 1.00 0.00 H new ATOM 0 HG2 GLN A 158 1.895 -6.284 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 158 3.115 -7.344 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 158 4.497 -8.289 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 158 4.854 -7.833 -0.938 1.00 0.00 H new ATOM 261 N LEU A 159 1.553 -6.378 -6.305 1.00 0.00 N ATOM 262 CA LEU A 159 0.257 -6.309 -6.959 1.00 0.00 C ATOM 263 C LEU A 159 -0.726 -5.562 -6.055 1.00 0.00 C ATOM 264 O LEU A 159 -1.881 -5.356 -6.426 1.00 0.00 O ATOM 265 CB LEU A 159 -0.216 -7.707 -7.360 1.00 0.00 C ATOM 266 CG LEU A 159 -1.693 -7.833 -7.739 1.00 0.00 C ATOM 267 CD1 LEU A 159 -1.892 -8.897 -8.820 1.00 0.00 C ATOM 268 CD2 LEU A 159 -2.555 -8.101 -6.505 1.00 0.00 C ATOM 269 OXT LEU A 159 -0.246 -5.189 -4.918 1.00 0.00 O ATOM 0 H LEU A 159 1.756 -7.270 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 159 0.329 -5.744 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.385 -8.044 -8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -0.014 -8.388 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 159 -2.020 -6.882 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.950 -8.967 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.325 -8.622 -9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -1.543 -9.861 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.600 -8.186 -6.803 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -2.235 -9.030 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -2.445 -7.278 -5.799 1.00 0.00 H new TER 282 LEU A 159