USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 508 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 MET CE :methyl 147:sc= -0.305 (180deg=-1.49) USER MOD Set 1.2: A 72 MET CE :methyl 177:sc= 0 (180deg=-0.00543) USER MOD Set 2.1: A 60 ASN : amide:sc= -3.98 K(o=-5.1,f=-11!) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.096) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.21) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.97 (180deg=-2.44!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 163:sc= -0.696 (180deg=-1.49!) USER MOD Single : A 38 SER OG : rot -18:sc= 1.03 USER MOD Single : A 41 GLN :FLIP amide:sc= 0.406 F(o=-0.16,f=0.41) USER MOD Single : A 42 ASN : amide:sc= -0.083 X(o=-0.083,f=-0.0054) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.21) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 70 THR OG1 : rot -37:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 4 45.758 11.072 13.803 1.00 0.01 N ATOM 43 CA LEU A 4 46.665 10.314 14.648 1.00 0.01 C ATOM 44 C LEU A 4 47.978 11.056 14.670 1.00 0.02 C ATOM 45 O LEU A 4 48.059 12.161 14.142 1.00 0.01 O ATOM 46 CB LEU A 4 46.847 8.891 14.123 1.00 0.01 C ATOM 47 CG LEU A 4 46.297 7.779 15.027 1.00 0.02 C ATOM 48 CD1 LEU A 4 46.543 8.061 16.512 1.00 0.02 C ATOM 49 CD2 LEU A 4 44.840 7.426 14.722 1.00 0.02 C ATOM 0 HA LEU A 4 46.260 10.223 15.656 1.00 0.01 H new ATOM 0 HB2 LEU A 4 46.363 8.817 13.149 1.00 0.01 H new ATOM 0 HB3 LEU A 4 47.911 8.714 13.964 1.00 0.01 H new ATOM 0 HG LEU A 4 46.870 6.883 14.787 1.00 0.02 H new ATOM 0 HD11 LEU A 4 46.136 7.246 17.110 1.00 0.02 H new ATOM 0 HD12 LEU A 4 47.614 8.144 16.694 1.00 0.02 H new ATOM 0 HD13 LEU A 4 46.054 8.995 16.791 1.00 0.02 H new ATOM 0 HD21 LEU A 4 44.509 6.634 15.394 1.00 0.02 H new ATOM 0 HD22 LEU A 4 44.215 8.307 14.864 1.00 0.02 H new ATOM 0 HD23 LEU A 4 44.757 7.085 13.690 1.00 0.02 H new ATOM 61 N THR A 5 48.982 10.442 15.315 1.00 0.03 N ATOM 62 CA THR A 5 50.297 11.078 15.303 1.00 0.00 C ATOM 63 C THR A 5 50.790 11.244 13.878 1.00 0.01 C ATOM 64 O THR A 5 50.314 10.549 12.984 1.00 0.00 O ATOM 65 CB THR A 5 51.308 10.286 16.162 1.00 0.01 C ATOM 66 OG1 THR A 5 51.738 9.086 15.516 1.00 0.00 O ATOM 67 CG2 THR A 5 50.717 9.931 17.530 1.00 0.02 C ATOM 0 H THR A 5 48.915 9.559 15.821 1.00 0.03 H new ATOM 0 HA THR A 5 50.203 12.069 15.747 1.00 0.00 H new ATOM 0 HB THR A 5 52.171 10.938 16.296 1.00 0.01 H new ATOM 0 HG1 THR A 5 52.377 8.616 16.091 1.00 0.00 H new ATOM 0 HG21 THR A 5 51.452 9.374 18.111 1.00 0.02 H new ATOM 0 HG22 THR A 5 50.453 10.846 18.061 1.00 0.02 H new ATOM 0 HG23 THR A 5 49.825 9.320 17.393 1.00 0.02 H new ATOM 75 N GLU A 6 51.738 12.186 13.719 1.00 0.02 N ATOM 76 CA GLU A 6 52.357 12.372 12.405 1.00 0.03 C ATOM 77 C GLU A 6 52.805 11.091 11.731 1.00 0.02 C ATOM 78 O GLU A 6 52.690 10.979 10.526 1.00 0.00 O ATOM 79 CB GLU A 6 53.471 13.422 12.477 1.00 0.02 C ATOM 80 CG GLU A 6 53.990 13.892 11.108 1.00 0.03 C ATOM 81 CD GLU A 6 55.325 13.255 10.765 1.00 0.01 C ATOM 82 OE1 GLU A 6 55.516 12.075 11.029 1.00 0.01 O ATOM 83 OE2 GLU A 6 56.184 13.962 10.249 1.00 0.01 O ATOM 0 H GLU A 6 52.078 12.805 14.455 1.00 0.02 H new ATOM 0 HA GLU A 6 51.571 12.748 11.750 1.00 0.03 H new ATOM 0 HB2 GLU A 6 53.103 14.287 13.029 1.00 0.02 H new ATOM 0 HB3 GLU A 6 54.305 13.011 13.047 1.00 0.02 H new ATOM 0 HG2 GLU A 6 53.260 13.644 10.337 1.00 0.03 H new ATOM 0 HG3 GLU A 6 54.095 14.977 11.111 1.00 0.03 H new ATOM 90 N GLU A 7 53.161 10.103 12.571 1.00 0.00 N ATOM 91 CA GLU A 7 53.492 8.799 11.999 1.00 0.03 C ATOM 92 C GLU A 7 52.362 8.284 11.131 1.00 0.02 C ATOM 93 O GLU A 7 52.448 8.209 9.917 1.00 0.02 O ATOM 94 CB GLU A 7 53.832 7.811 13.119 1.00 0.02 C ATOM 95 CG GLU A 7 54.998 8.269 13.998 1.00 0.02 C ATOM 96 CD GLU A 7 56.262 8.331 13.175 1.00 0.02 C ATOM 97 OE1 GLU A 7 56.889 7.295 13.001 1.00 0.02 O ATOM 98 OE2 GLU A 7 56.609 9.418 12.730 1.00 0.02 O ATOM 0 H GLU A 7 53.223 10.177 13.586 1.00 0.00 H new ATOM 0 HA GLU A 7 54.367 8.907 11.358 1.00 0.03 H new ATOM 0 HB2 GLU A 7 52.951 7.664 13.744 1.00 0.02 H new ATOM 0 HB3 GLU A 7 54.076 6.844 12.679 1.00 0.02 H new ATOM 0 HG2 GLU A 7 54.782 9.249 14.424 1.00 0.02 H new ATOM 0 HG3 GLU A 7 55.129 7.580 14.833 1.00 0.02 H new ATOM 105 N GLN A 8 51.235 8.030 11.815 1.00 0.02 N ATOM 106 CA GLN A 8 50.143 7.438 11.052 1.00 0.02 C ATOM 107 C GLN A 8 49.680 8.247 9.854 1.00 0.02 C ATOM 108 O GLN A 8 49.432 7.724 8.772 1.00 0.02 O ATOM 109 CB GLN A 8 48.966 7.123 11.961 1.00 0.02 C ATOM 110 CG GLN A 8 47.916 6.225 11.305 1.00 0.02 C ATOM 111 CD GLN A 8 48.490 4.836 11.142 1.00 0.02 C ATOM 112 OE1 GLN A 8 48.415 4.024 12.055 1.00 0.01 O ATOM 113 NE2 GLN A 8 49.063 4.612 9.962 1.00 0.02 N ATOM 0 H GLN A 8 51.067 8.208 12.805 1.00 0.02 H new ATOM 0 HA GLN A 8 50.557 6.520 10.635 1.00 0.02 H new ATOM 0 HB2 GLN A 8 49.334 6.638 12.865 1.00 0.02 H new ATOM 0 HB3 GLN A 8 48.494 8.056 12.269 1.00 0.02 H new ATOM 0 HG2 GLN A 8 47.015 6.191 11.917 1.00 0.02 H new ATOM 0 HG3 GLN A 8 47.627 6.630 10.335 1.00 0.02 H new ATOM 0 HE21 GLN A 8 49.081 5.348 9.256 1.00 0.02 H new ATOM 0 HE22 GLN A 8 49.484 3.705 9.764 1.00 0.02 H new ATOM 122 N ILE A 9 49.553 9.561 10.109 1.00 0.02 N ATOM 123 CA ILE A 9 49.252 10.492 9.016 1.00 0.02 C ATOM 124 C ILE A 9 50.217 10.387 7.830 1.00 0.02 C ATOM 125 O ILE A 9 49.805 10.281 6.676 1.00 0.01 O ATOM 126 CB ILE A 9 49.172 11.932 9.561 1.00 0.03 C ATOM 127 CG1 ILE A 9 48.042 12.060 10.589 1.00 0.03 C ATOM 128 CG2 ILE A 9 48.965 12.953 8.432 1.00 0.02 C ATOM 129 CD1 ILE A 9 47.934 13.472 11.176 1.00 0.01 C ATOM 0 H ILE A 9 49.651 9.988 11.030 1.00 0.02 H new ATOM 0 HA ILE A 9 48.281 10.206 8.613 1.00 0.02 H new ATOM 0 HB ILE A 9 50.124 12.148 10.046 1.00 0.03 H new ATOM 0 HG12 ILE A 9 47.096 11.793 10.118 1.00 0.03 H new ATOM 0 HG13 ILE A 9 48.208 11.347 11.396 1.00 0.03 H new ATOM 0 HG21 ILE A 9 48.913 13.957 8.854 1.00 0.02 H new ATOM 0 HG22 ILE A 9 49.799 12.896 7.732 1.00 0.02 H new ATOM 0 HG23 ILE A 9 48.036 12.732 7.907 1.00 0.02 H new ATOM 0 HD11 ILE A 9 47.118 13.505 11.898 1.00 0.01 H new ATOM 0 HD12 ILE A 9 48.869 13.732 11.673 1.00 0.01 H new ATOM 0 HD13 ILE A 9 47.739 14.185 10.375 1.00 0.01 H new ATOM 141 N ALA A 10 51.504 10.392 8.180 1.00 0.00 N ATOM 142 CA ALA A 10 52.580 10.272 7.203 1.00 0.02 C ATOM 143 C ALA A 10 52.429 9.020 6.386 1.00 0.00 C ATOM 144 O ALA A 10 52.401 9.070 5.162 1.00 0.02 O ATOM 145 CB ALA A 10 53.964 10.250 7.859 1.00 0.02 C ATOM 0 H ALA A 10 51.826 10.479 9.144 1.00 0.00 H new ATOM 0 HA ALA A 10 52.505 11.153 6.565 1.00 0.02 H new ATOM 0 HB1 ALA A 10 54.730 10.159 7.089 1.00 0.02 H new ATOM 0 HB2 ALA A 10 54.117 11.174 8.416 1.00 0.02 H new ATOM 0 HB3 ALA A 10 54.031 9.401 8.539 1.00 0.02 H new ATOM 151 N GLU A 11 52.230 7.908 7.111 1.00 0.03 N ATOM 152 CA GLU A 11 51.920 6.674 6.401 1.00 0.00 C ATOM 153 C GLU A 11 50.707 6.771 5.514 1.00 0.02 C ATOM 154 O GLU A 11 50.689 6.223 4.428 1.00 0.02 O ATOM 155 CB GLU A 11 51.745 5.470 7.317 1.00 0.02 C ATOM 156 CG GLU A 11 53.050 4.973 7.934 1.00 0.02 C ATOM 157 CD GLU A 11 53.086 5.321 9.405 1.00 0.03 C ATOM 158 OE1 GLU A 11 52.097 5.108 10.102 1.00 0.03 O ATOM 159 OE2 GLU A 11 54.106 5.809 9.860 1.00 0.02 O ATOM 0 H GLU A 11 52.276 7.842 8.128 1.00 0.03 H new ATOM 0 HA GLU A 11 52.802 6.524 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 11 51.052 5.731 8.117 1.00 0.02 H new ATOM 0 HB3 GLU A 11 51.288 4.658 6.751 1.00 0.02 H new ATOM 0 HG2 GLU A 11 53.137 3.894 7.804 1.00 0.02 H new ATOM 0 HG3 GLU A 11 53.900 5.425 7.423 1.00 0.02 H new ATOM 166 N PHE A 12 49.689 7.515 5.967 1.00 0.00 N ATOM 167 CA PHE A 12 48.551 7.732 5.068 1.00 0.02 C ATOM 168 C PHE A 12 48.912 8.466 3.784 1.00 0.02 C ATOM 169 O PHE A 12 48.381 8.178 2.715 1.00 0.02 O ATOM 170 CB PHE A 12 47.385 8.406 5.809 1.00 0.01 C ATOM 171 CG PHE A 12 46.735 7.510 6.852 1.00 0.02 C ATOM 172 CD1 PHE A 12 47.137 6.164 7.037 1.00 0.02 C ATOM 173 CD2 PHE A 12 45.691 8.055 7.631 1.00 0.02 C ATOM 174 CE1 PHE A 12 46.473 5.354 7.975 1.00 0.01 C ATOM 175 CE2 PHE A 12 45.024 7.247 8.572 1.00 0.02 C ATOM 176 CZ PHE A 12 45.409 5.898 8.721 1.00 0.02 C ATOM 0 H PHE A 12 49.628 7.950 6.887 1.00 0.00 H new ATOM 0 HA PHE A 12 48.225 6.743 4.746 1.00 0.02 H new ATOM 0 HB2 PHE A 12 47.748 9.312 6.294 1.00 0.01 H new ATOM 0 HB3 PHE A 12 46.632 8.713 5.083 1.00 0.01 H new ATOM 0 HD1 PHE A 12 47.954 5.760 6.457 1.00 0.02 H new ATOM 0 HD2 PHE A 12 45.405 9.089 7.506 1.00 0.02 H new ATOM 0 HE1 PHE A 12 46.775 4.327 8.122 1.00 0.01 H new ATOM 0 HE2 PHE A 12 44.226 7.656 9.174 1.00 0.02 H new ATOM 0 HZ PHE A 12 44.878 5.270 9.421 1.00 0.02 H new ATOM 186 N LYS A 13 49.883 9.375 3.940 1.00 0.02 N ATOM 187 CA LYS A 13 50.448 10.005 2.751 1.00 0.02 C ATOM 188 C LYS A 13 51.159 8.991 1.869 1.00 0.02 C ATOM 189 O LYS A 13 50.977 8.946 0.657 1.00 0.02 O ATOM 190 CB LYS A 13 51.323 11.202 3.166 1.00 0.02 C ATOM 191 CG LYS A 13 51.890 12.063 2.029 1.00 0.02 C ATOM 192 CD LYS A 13 53.331 11.720 1.628 1.00 0.00 C ATOM 193 CE LYS A 13 54.351 12.043 2.728 1.00 0.02 C ATOM 194 NZ LYS A 13 55.703 11.702 2.275 1.00 0.00 N ATOM 0 H LYS A 13 50.275 9.676 4.832 1.00 0.02 H new ATOM 0 HA LYS A 13 49.646 10.402 2.128 1.00 0.02 H new ATOM 0 HB2 LYS A 13 50.733 11.845 3.819 1.00 0.02 H new ATOM 0 HB3 LYS A 13 52.158 10.826 3.758 1.00 0.02 H new ATOM 0 HG2 LYS A 13 51.248 11.956 1.155 1.00 0.02 H new ATOM 0 HG3 LYS A 13 51.849 13.110 2.328 1.00 0.02 H new ATOM 0 HD2 LYS A 13 53.392 10.660 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 13 53.592 12.271 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.300 13.102 2.983 1.00 0.02 H new ATOM 0 HE3 LYS A 13 54.111 11.485 3.633 1.00 0.02 H new ATOM 0 HZ1 LYS A 13 56.394 12.313 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 55.904 10.707 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 55.771 11.844 1.247 1.00 0.00 H new ATOM 208 N GLU A 14 51.930 8.113 2.524 1.00 0.00 N ATOM 209 CA GLU A 14 52.583 7.075 1.736 1.00 0.02 C ATOM 210 C GLU A 14 51.604 6.156 1.030 1.00 0.02 C ATOM 211 O GLU A 14 51.762 5.792 -0.124 1.00 0.00 O ATOM 212 CB GLU A 14 53.591 6.283 2.573 1.00 0.03 C ATOM 213 CG GLU A 14 54.736 7.139 3.146 1.00 0.03 C ATOM 214 CD GLU A 14 55.518 7.891 2.065 1.00 0.03 C ATOM 215 OE1 GLU A 14 55.670 7.393 0.949 1.00 0.03 O ATOM 216 OE2 GLU A 14 55.977 9.004 2.336 1.00 0.00 O ATOM 0 H GLU A 14 52.107 8.099 3.529 1.00 0.00 H new ATOM 0 HA GLU A 14 53.132 7.594 0.951 1.00 0.02 H new ATOM 0 HB2 GLU A 14 53.065 5.800 3.396 1.00 0.03 H new ATOM 0 HB3 GLU A 14 54.016 5.490 1.957 1.00 0.03 H new ATOM 0 HG2 GLU A 14 54.326 7.857 3.856 1.00 0.03 H new ATOM 0 HG3 GLU A 14 55.420 6.497 3.701 1.00 0.03 H new ATOM 223 N ALA A 15 50.516 5.839 1.740 1.00 0.02 N ATOM 224 CA ALA A 15 49.451 4.993 1.207 1.00 0.03 C ATOM 225 C ALA A 15 48.795 5.603 -0.004 1.00 0.02 C ATOM 226 O ALA A 15 48.432 4.914 -0.943 1.00 0.03 O ATOM 227 CB ALA A 15 48.385 4.735 2.273 1.00 0.02 C ATOM 0 H ALA A 15 50.352 6.161 2.694 1.00 0.02 H new ATOM 0 HA ALA A 15 49.916 4.053 0.910 1.00 0.03 H new ATOM 0 HB1 ALA A 15 47.600 4.103 1.857 1.00 0.02 H new ATOM 0 HB2 ALA A 15 48.839 4.234 3.128 1.00 0.02 H new ATOM 0 HB3 ALA A 15 47.955 5.684 2.594 1.00 0.02 H new ATOM 233 N PHE A 16 48.720 6.946 0.084 1.00 0.00 N ATOM 234 CA PHE A 16 48.227 7.702 -1.056 1.00 0.02 C ATOM 235 C PHE A 16 49.077 7.487 -2.292 1.00 0.02 C ATOM 236 O PHE A 16 48.569 7.166 -3.350 1.00 0.02 O ATOM 237 CB PHE A 16 48.072 9.188 -0.698 1.00 0.00 C ATOM 238 CG PHE A 16 47.283 9.910 -1.765 1.00 0.02 C ATOM 239 CD1 PHE A 16 45.970 9.484 -2.062 1.00 0.02 C ATOM 240 CD2 PHE A 16 47.873 10.992 -2.455 1.00 0.02 C ATOM 241 CE1 PHE A 16 45.250 10.127 -3.084 1.00 0.02 C ATOM 242 CE2 PHE A 16 47.149 11.640 -3.475 1.00 0.00 C ATOM 243 CZ PHE A 16 45.849 11.191 -3.789 1.00 0.00 C ATOM 0 H PHE A 16 48.984 7.499 0.899 1.00 0.00 H new ATOM 0 HA PHE A 16 47.236 7.323 -1.306 1.00 0.02 H new ATOM 0 HB2 PHE A 16 47.568 9.286 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 16 49.055 9.647 -0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 16 45.523 8.671 -1.509 1.00 0.02 H new ATOM 0 HD2 PHE A 16 48.871 11.320 -2.203 1.00 0.02 H new ATOM 0 HE1 PHE A 16 44.247 9.809 -3.327 1.00 0.02 H new ATOM 0 HE2 PHE A 16 47.584 12.471 -4.010 1.00 0.00 H new ATOM 0 HZ PHE A 16 45.301 11.672 -4.586 1.00 0.00 H new ATOM 253 N SER A 17 50.398 7.578 -2.098 1.00 0.00 N ATOM 254 CA SER A 17 51.316 7.302 -3.208 1.00 0.00 C ATOM 255 C SER A 17 51.117 5.916 -3.825 1.00 0.00 C ATOM 256 O SER A 17 51.037 5.716 -5.026 1.00 0.02 O ATOM 257 CB SER A 17 52.743 7.520 -2.681 1.00 0.09 C ATOM 258 OG SER A 17 53.738 7.477 -3.715 1.00 0.17 O ATOM 0 H SER A 17 50.843 7.831 -1.216 1.00 0.00 H new ATOM 0 HA SER A 17 51.112 7.984 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 17 52.794 8.485 -2.176 1.00 0.09 H new ATOM 0 HB3 SER A 17 52.969 6.758 -1.936 1.00 0.09 H new ATOM 0 HG SER A 17 54.624 7.623 -3.323 1.00 0.17 H new ATOM 264 N LEU A 18 50.996 4.934 -2.914 1.00 0.02 N ATOM 265 CA LEU A 18 50.729 3.548 -3.333 1.00 0.02 C ATOM 266 C LEU A 18 49.442 3.352 -4.134 1.00 0.02 C ATOM 267 O LEU A 18 49.263 2.431 -4.933 1.00 0.03 O ATOM 268 CB LEU A 18 50.706 2.644 -2.096 1.00 0.00 C ATOM 269 CG LEU A 18 52.077 2.421 -1.448 1.00 0.02 C ATOM 270 CD1 LEU A 18 52.052 2.614 0.068 1.00 0.02 C ATOM 271 CD2 LEU A 18 52.642 1.049 -1.813 1.00 0.02 C ATOM 0 H LEU A 18 51.077 5.069 -1.906 1.00 0.02 H new ATOM 0 HA LEU A 18 51.538 3.281 -4.013 1.00 0.02 H new ATOM 0 HB2 LEU A 18 50.034 3.079 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 18 50.288 1.677 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 18 52.739 3.187 -1.852 1.00 0.02 H new ATOM 0 HD11 LEU A 18 53.050 2.444 0.473 1.00 0.02 H new ATOM 0 HD12 LEU A 18 51.735 3.631 0.300 1.00 0.02 H new ATOM 0 HD13 LEU A 18 51.354 1.906 0.514 1.00 0.02 H new ATOM 0 HD21 LEU A 18 53.615 0.918 -1.339 1.00 0.02 H new ATOM 0 HD22 LEU A 18 51.962 0.271 -1.465 1.00 0.02 H new ATOM 0 HD23 LEU A 18 52.753 0.977 -2.895 1.00 0.02 H new ATOM 283 N PHE A 19 48.523 4.273 -3.846 1.00 0.02 N ATOM 284 CA PHE A 19 47.257 4.226 -4.549 1.00 0.00 C ATOM 285 C PHE A 19 47.354 4.802 -5.932 1.00 0.02 C ATOM 286 O PHE A 19 47.140 4.055 -6.889 1.00 0.02 O ATOM 287 CB PHE A 19 46.174 4.879 -3.707 1.00 0.02 C ATOM 288 CG PHE A 19 46.011 4.189 -2.368 1.00 0.02 C ATOM 289 CD1 PHE A 19 46.452 2.857 -2.154 1.00 0.02 C ATOM 290 CD2 PHE A 19 45.399 4.920 -1.329 1.00 0.00 C ATOM 291 CE1 PHE A 19 46.287 2.258 -0.894 1.00 0.02 C ATOM 292 CE2 PHE A 19 45.232 4.321 -0.069 1.00 0.02 C ATOM 293 CZ PHE A 19 45.677 2.998 0.138 1.00 0.02 C ATOM 0 H PHE A 19 48.627 5.024 -3.164 1.00 0.02 H new ATOM 0 HA PHE A 19 46.979 3.182 -4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 19 46.421 5.929 -3.548 1.00 0.02 H new ATOM 0 HB3 PHE A 19 45.228 4.853 -4.247 1.00 0.02 H new ATOM 0 HD1 PHE A 19 46.914 2.305 -2.959 1.00 0.02 H new ATOM 0 HD2 PHE A 19 45.062 5.932 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 19 46.622 1.246 -0.719 1.00 0.02 H new ATOM 0 HE2 PHE A 19 44.766 4.870 0.736 1.00 0.02 H new ATOM 0 HZ PHE A 19 45.547 2.543 1.109 1.00 0.02 H new ATOM 303 N ASP A 20 47.797 6.069 -5.951 1.00 0.03 N ATOM 304 CA ASP A 20 48.009 6.802 -7.191 1.00 0.02 C ATOM 305 C ASP A 20 49.431 6.652 -7.694 1.00 0.00 C ATOM 306 O ASP A 20 50.325 7.483 -7.619 1.00 0.02 O ATOM 307 CB ASP A 20 47.595 8.263 -7.031 1.00 0.02 C ATOM 308 CG ASP A 20 47.322 8.864 -8.393 1.00 0.02 C ATOM 309 OD1 ASP A 20 46.799 8.162 -9.255 1.00 0.02 O ATOM 310 OD2 ASP A 20 47.644 10.036 -8.582 1.00 0.02 O ATOM 0 H ASP A 20 48.014 6.603 -5.110 1.00 0.03 H new ATOM 0 HA ASP A 20 47.369 6.367 -7.958 1.00 0.02 H new ATOM 0 HB2 ASP A 20 46.705 8.333 -6.406 1.00 0.02 H new ATOM 0 HB3 ASP A 20 48.383 8.822 -6.527 1.00 0.02 H new ATOM 315 N LYS A 21 49.604 5.426 -8.190 1.00 0.02 N ATOM 316 CA LYS A 21 50.864 4.973 -8.784 1.00 0.02 C ATOM 317 C LYS A 21 51.297 5.718 -10.037 1.00 0.02 C ATOM 318 O LYS A 21 52.464 5.713 -10.429 1.00 0.02 O ATOM 319 CB LYS A 21 50.853 3.447 -9.055 1.00 0.02 C ATOM 320 CG LYS A 21 50.306 2.870 -10.389 1.00 0.00 C ATOM 321 CD LYS A 21 48.849 3.184 -10.730 1.00 0.02 C ATOM 322 CE LYS A 21 48.039 3.120 -9.455 1.00 0.03 C ATOM 323 NZ LYS A 21 46.955 2.168 -9.502 1.00 0.02 N ATOM 0 H LYS A 21 48.872 4.716 -8.191 1.00 0.02 H new ATOM 0 HA LYS A 21 51.609 5.210 -8.025 1.00 0.02 H new ATOM 0 HB2 LYS A 21 51.881 3.099 -8.956 1.00 0.02 H new ATOM 0 HB3 LYS A 21 50.281 2.985 -8.250 1.00 0.02 H new ATOM 0 HG2 LYS A 21 50.932 3.240 -11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 21 50.423 1.787 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 21 48.769 4.173 -11.181 1.00 0.02 H new ATOM 0 HD3 LYS A 21 48.467 2.469 -11.459 1.00 0.02 H new ATOM 0 HE2 LYS A 21 48.700 2.863 -8.628 1.00 0.03 H new ATOM 0 HE3 LYS A 21 47.633 4.109 -9.243 1.00 0.03 H new ATOM 0 HZ1 LYS A 21 46.201 2.469 -8.852 1.00 0.02 H new ATOM 0 HZ2 LYS A 21 46.579 2.118 -10.470 1.00 0.02 H new ATOM 0 HZ3 LYS A 21 47.304 1.230 -9.217 1.00 0.02 H new ATOM 337 N ASP A 22 50.266 6.284 -10.675 1.00 0.00 N ATOM 338 CA ASP A 22 50.519 7.114 -11.848 1.00 0.02 C ATOM 339 C ASP A 22 50.830 8.560 -11.477 1.00 0.02 C ATOM 340 O ASP A 22 51.499 9.295 -12.212 1.00 0.03 O ATOM 341 CB ASP A 22 49.335 6.993 -12.824 1.00 0.00 C ATOM 342 CG ASP A 22 48.015 7.217 -12.104 1.00 0.02 C ATOM 343 OD1 ASP A 22 47.893 8.228 -11.438 1.00 0.02 O ATOM 344 OD2 ASP A 22 47.134 6.369 -12.188 1.00 0.02 O ATOM 0 H ASP A 22 49.286 6.186 -10.409 1.00 0.00 H new ATOM 0 HA ASP A 22 51.415 6.749 -12.349 1.00 0.02 H new ATOM 0 HB2 ASP A 22 49.444 7.722 -13.627 1.00 0.00 H new ATOM 0 HB3 ASP A 22 49.339 6.006 -13.287 1.00 0.00 H new ATOM 349 N GLY A 23 50.360 8.903 -10.259 1.00 0.00 N ATOM 350 CA GLY A 23 50.518 10.273 -9.799 1.00 0.00 C ATOM 351 C GLY A 23 49.674 11.288 -10.561 1.00 0.00 C ATOM 352 O GLY A 23 50.101 12.432 -10.723 1.00 0.02 O ATOM 0 H GLY A 23 49.890 8.272 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 23 50.258 10.322 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 23 51.568 10.554 -9.883 1.00 0.00 H new ATOM 356 N ASP A 24 48.508 10.840 -11.038 1.00 0.02 N ATOM 357 CA ASP A 24 47.558 11.677 -11.772 1.00 0.01 C ATOM 358 C ASP A 24 46.713 12.609 -10.908 1.00 0.02 C ATOM 359 O ASP A 24 46.011 13.464 -11.442 1.00 0.02 O ATOM 360 CB ASP A 24 46.652 10.839 -12.716 1.00 0.02 C ATOM 361 CG ASP A 24 45.782 9.827 -11.966 1.00 0.02 C ATOM 362 OD1 ASP A 24 45.782 9.874 -10.743 1.00 0.02 O ATOM 363 OD2 ASP A 24 45.146 8.976 -12.598 1.00 0.01 O ATOM 0 H ASP A 24 48.196 9.876 -10.923 1.00 0.02 H new ATOM 0 HA ASP A 24 48.193 12.329 -12.371 1.00 0.01 H new ATOM 0 HB2 ASP A 24 46.010 11.511 -13.285 1.00 0.02 H new ATOM 0 HB3 ASP A 24 47.277 10.310 -13.435 1.00 0.02 H new ATOM 368 N GLY A 25 46.907 12.497 -9.592 1.00 0.02 N ATOM 369 CA GLY A 25 46.077 13.210 -8.627 1.00 0.02 C ATOM 370 C GLY A 25 44.663 12.670 -8.446 1.00 0.02 C ATOM 371 O GLY A 25 43.785 13.369 -7.944 1.00 0.00 O ATOM 0 H GLY A 25 47.634 11.917 -9.173 1.00 0.02 H new ATOM 0 HA2 GLY A 25 46.580 13.192 -7.660 1.00 0.02 H new ATOM 0 HA3 GLY A 25 46.011 14.254 -8.933 1.00 0.02 H new ATOM 375 N THR A 26 44.469 11.427 -8.880 1.00 0.02 N ATOM 376 CA THR A 26 43.137 10.848 -8.910 1.00 0.02 C ATOM 377 C THR A 26 43.187 9.336 -8.738 1.00 0.02 C ATOM 378 O THR A 26 43.625 8.567 -9.571 1.00 0.02 O ATOM 379 CB THR A 26 42.364 11.243 -10.201 1.00 0.01 C ATOM 380 OG1 THR A 26 43.205 11.236 -11.343 1.00 0.02 O ATOM 381 CG2 THR A 26 41.753 12.646 -10.152 1.00 0.00 C ATOM 0 H THR A 26 45.211 10.811 -9.211 1.00 0.02 H new ATOM 0 HA THR A 26 42.587 11.262 -8.065 1.00 0.02 H new ATOM 0 HB THR A 26 41.576 10.493 -10.266 1.00 0.01 H new ATOM 0 HG1 THR A 26 42.684 11.487 -12.134 1.00 0.02 H new ATOM 0 HG21 THR A 26 41.231 12.848 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 26 41.049 12.707 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 26 42.544 13.383 -10.011 1.00 0.00 H new ATOM 389 N ILE A 27 42.584 8.922 -7.614 1.00 0.02 N ATOM 390 CA ILE A 27 42.435 7.480 -7.411 1.00 0.02 C ATOM 391 C ILE A 27 41.227 6.967 -8.163 1.00 0.00 C ATOM 392 O ILE A 27 40.081 7.337 -7.919 1.00 0.02 O ATOM 393 CB ILE A 27 42.326 7.131 -5.915 1.00 0.00 C ATOM 394 CG1 ILE A 27 43.638 7.450 -5.204 1.00 0.02 C ATOM 395 CG2 ILE A 27 41.950 5.659 -5.668 1.00 0.02 C ATOM 396 CD1 ILE A 27 43.503 7.226 -3.697 1.00 0.01 C ATOM 0 H ILE A 27 42.214 9.522 -6.877 1.00 0.02 H new ATOM 0 HA ILE A 27 43.328 6.992 -7.801 1.00 0.02 H new ATOM 0 HB ILE A 27 41.520 7.743 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 27 44.435 6.821 -5.601 1.00 0.02 H new ATOM 0 HG13 ILE A 27 43.921 8.484 -5.399 1.00 0.02 H new ATOM 0 HG21 ILE A 27 41.888 5.474 -4.596 1.00 0.02 H new ATOM 0 HG22 ILE A 27 40.985 5.448 -6.129 1.00 0.02 H new ATOM 0 HG23 ILE A 27 42.710 5.011 -6.105 1.00 0.02 H new ATOM 0 HD11 ILE A 27 44.449 7.459 -3.208 1.00 0.01 H new ATOM 0 HD12 ILE A 27 42.721 7.874 -3.301 1.00 0.01 H new ATOM 0 HD13 ILE A 27 43.243 6.185 -3.506 1.00 0.01 H new ATOM 408 N THR A 28 41.493 6.067 -9.113 1.00 0.02 N ATOM 409 CA THR A 28 40.321 5.517 -9.799 1.00 0.02 C ATOM 410 C THR A 28 39.701 4.318 -9.106 1.00 0.02 C ATOM 411 O THR A 28 40.318 3.688 -8.253 1.00 0.00 O ATOM 412 CB THR A 28 40.590 5.181 -11.280 1.00 0.02 C ATOM 413 OG1 THR A 28 41.191 3.878 -11.496 1.00 0.01 O ATOM 414 CG2 THR A 28 41.357 6.292 -11.993 1.00 0.02 C ATOM 0 H THR A 28 42.410 5.730 -9.405 1.00 0.02 H new ATOM 0 HA THR A 28 39.595 6.329 -9.754 1.00 0.02 H new ATOM 0 HB THR A 28 39.603 5.118 -11.738 1.00 0.02 H new ATOM 0 HG1 THR A 28 41.329 3.737 -12.456 1.00 0.01 H new ATOM 0 HG21 THR A 28 41.523 6.010 -13.033 1.00 0.02 H new ATOM 0 HG22 THR A 28 40.779 7.215 -11.955 1.00 0.02 H new ATOM 0 HG23 THR A 28 42.317 6.445 -11.501 1.00 0.02 H new ATOM 422 N THR A 29 38.506 3.921 -9.597 1.00 0.01 N ATOM 423 CA THR A 29 37.831 2.770 -8.962 1.00 0.02 C ATOM 424 C THR A 29 38.630 1.465 -9.085 1.00 0.02 C ATOM 425 O THR A 29 38.844 0.590 -8.240 1.00 0.02 O ATOM 426 CB THR A 29 36.429 2.586 -9.575 1.00 0.01 C ATOM 427 OG1 THR A 29 36.498 1.942 -10.868 1.00 0.02 O ATOM 428 CG2 THR A 29 35.658 3.904 -9.708 1.00 0.02 C ATOM 0 H THR A 29 38.014 4.349 -10.381 1.00 0.01 H new ATOM 0 HA THR A 29 37.752 2.993 -7.898 1.00 0.02 H new ATOM 0 HB THR A 29 35.886 1.948 -8.878 1.00 0.01 H new ATOM 0 HG1 THR A 29 35.593 1.838 -11.230 1.00 0.02 H new ATOM 0 HG21 THR A 29 34.679 3.710 -10.146 1.00 0.02 H new ATOM 0 HG22 THR A 29 35.533 4.353 -8.723 1.00 0.02 H new ATOM 0 HG23 THR A 29 36.214 4.587 -10.350 1.00 0.02 H new ATOM 436 N LYS A 30 39.148 1.367 -10.323 1.00 0.02 N ATOM 437 CA LYS A 30 39.982 0.196 -10.568 1.00 0.02 C ATOM 438 C LYS A 30 41.200 0.181 -9.667 1.00 0.01 C ATOM 439 O LYS A 30 41.630 -0.848 -9.135 1.00 0.00 O ATOM 440 CB LYS A 30 40.412 0.118 -12.037 1.00 0.03 C ATOM 441 CG LYS A 30 41.168 -1.180 -12.343 1.00 0.03 C ATOM 442 CD LYS A 30 40.276 -2.392 -12.073 1.00 0.03 C ATOM 443 CE LYS A 30 41.042 -3.611 -11.571 1.00 0.02 C ATOM 444 NZ LYS A 30 41.882 -4.177 -12.640 1.00 0.02 N ATOM 0 H LYS A 30 39.019 2.019 -11.097 1.00 0.02 H new ATOM 0 HA LYS A 30 39.377 -0.680 -10.337 1.00 0.02 H new ATOM 0 HB2 LYS A 30 39.532 0.185 -12.677 1.00 0.03 H new ATOM 0 HB3 LYS A 30 41.046 0.972 -12.276 1.00 0.03 H new ATOM 0 HG2 LYS A 30 41.492 -1.183 -13.384 1.00 0.03 H new ATOM 0 HG3 LYS A 30 42.067 -1.238 -11.729 1.00 0.03 H new ATOM 0 HD2 LYS A 30 39.520 -2.120 -11.337 1.00 0.03 H new ATOM 0 HD3 LYS A 30 39.748 -2.656 -12.989 1.00 0.03 H new ATOM 0 HE2 LYS A 30 41.666 -3.330 -10.722 1.00 0.02 H new ATOM 0 HE3 LYS A 30 40.341 -4.366 -11.215 1.00 0.02 H new ATOM 0 HZ1 LYS A 30 42.395 -5.006 -12.277 1.00 0.02 H new ATOM 0 HZ2 LYS A 30 41.281 -4.464 -13.438 1.00 0.02 H new ATOM 0 HZ3 LYS A 30 42.565 -3.461 -12.961 1.00 0.02 H new ATOM 458 N GLU A 31 41.755 1.403 -9.579 1.00 0.02 N ATOM 459 CA GLU A 31 42.841 1.606 -8.646 1.00 0.01 C ATOM 460 C GLU A 31 42.461 1.259 -7.241 1.00 0.02 C ATOM 461 O GLU A 31 43.274 0.612 -6.596 1.00 0.02 O ATOM 462 CB GLU A 31 43.428 3.000 -8.704 1.00 0.02 C ATOM 463 CG GLU A 31 44.056 3.317 -10.061 1.00 0.02 C ATOM 464 CD GLU A 31 44.862 4.594 -9.949 1.00 0.02 C ATOM 465 OE1 GLU A 31 44.508 5.415 -9.116 1.00 0.00 O ATOM 466 OE2 GLU A 31 45.850 4.726 -10.671 1.00 0.01 O ATOM 0 H GLU A 31 41.476 2.221 -10.121 1.00 0.02 H new ATOM 0 HA GLU A 31 43.619 0.914 -8.968 1.00 0.01 H new ATOM 0 HB2 GLU A 31 42.646 3.729 -8.490 1.00 0.02 H new ATOM 0 HB3 GLU A 31 44.183 3.105 -7.925 1.00 0.02 H new ATOM 0 HG2 GLU A 31 44.697 2.495 -10.380 1.00 0.02 H new ATOM 0 HG3 GLU A 31 43.279 3.428 -10.818 1.00 0.02 H new ATOM 473 N LEU A 32 41.222 1.584 -6.840 1.00 0.02 N ATOM 474 CA LEU A 32 40.684 1.213 -5.531 1.00 0.02 C ATOM 475 C LEU A 32 40.825 -0.272 -5.280 1.00 0.02 C ATOM 476 O LEU A 32 41.182 -0.743 -4.203 1.00 0.00 O ATOM 477 CB LEU A 32 39.222 1.660 -5.417 1.00 0.02 C ATOM 478 CG LEU A 32 38.639 1.837 -4.012 1.00 0.02 C ATOM 479 CD1 LEU A 32 38.486 0.530 -3.239 1.00 0.02 C ATOM 480 CD2 LEU A 32 39.389 2.911 -3.229 1.00 0.00 C ATOM 0 H LEU A 32 40.568 2.112 -7.418 1.00 0.02 H new ATOM 0 HA LEU A 32 41.263 1.726 -4.763 1.00 0.02 H new ATOM 0 HB2 LEU A 32 39.119 2.608 -5.945 1.00 0.02 H new ATOM 0 HB3 LEU A 32 38.607 0.932 -5.946 1.00 0.02 H new ATOM 0 HG LEU A 32 37.617 2.192 -4.147 1.00 0.02 H new ATOM 0 HD11 LEU A 32 38.067 0.737 -2.254 1.00 0.02 H new ATOM 0 HD12 LEU A 32 37.819 -0.139 -3.783 1.00 0.02 H new ATOM 0 HD13 LEU A 32 39.462 0.057 -3.127 1.00 0.02 H new ATOM 0 HD21 LEU A 32 38.950 3.011 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 32 40.437 2.627 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 32 39.316 3.863 -3.756 1.00 0.00 H new ATOM 492 N GLY A 33 40.607 -1.023 -6.372 1.00 0.00 N ATOM 493 CA GLY A 33 40.862 -2.457 -6.283 1.00 0.03 C ATOM 494 C GLY A 33 42.250 -2.754 -5.795 1.00 0.02 C ATOM 495 O GLY A 33 42.474 -3.459 -4.821 1.00 0.02 O ATOM 0 H GLY A 33 40.274 -0.682 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 33 40.136 -2.913 -5.610 1.00 0.03 H new ATOM 0 HA3 GLY A 33 40.717 -2.912 -7.263 1.00 0.03 H new ATOM 499 N THR A 34 43.196 -2.140 -6.508 1.00 0.02 N ATOM 500 CA THR A 34 44.593 -2.222 -6.065 1.00 0.02 C ATOM 501 C THR A 34 44.817 -1.778 -4.622 1.00 0.00 C ATOM 502 O THR A 34 45.416 -2.513 -3.855 1.00 0.02 O ATOM 503 CB THR A 34 45.482 -1.484 -7.072 1.00 0.02 C ATOM 504 OG1 THR A 34 45.277 -2.071 -8.370 1.00 0.02 O ATOM 505 CG2 THR A 34 46.972 -1.469 -6.709 1.00 0.02 C ATOM 0 H THR A 34 43.035 -1.602 -7.359 1.00 0.02 H new ATOM 0 HA THR A 34 44.879 -3.274 -6.048 1.00 0.02 H new ATOM 0 HB THR A 34 45.185 -0.435 -7.062 1.00 0.02 H new ATOM 0 HG1 THR A 34 45.837 -1.610 -9.029 1.00 0.02 H new ATOM 0 HG21 THR A 34 47.527 -0.927 -7.474 1.00 0.02 H new ATOM 0 HG22 THR A 34 47.107 -0.977 -5.746 1.00 0.02 H new ATOM 0 HG23 THR A 34 47.342 -2.492 -6.649 1.00 0.02 H new ATOM 513 N VAL A 35 44.201 -0.632 -4.291 1.00 0.01 N ATOM 514 CA VAL A 35 44.200 0.029 -2.982 1.00 0.02 C ATOM 515 C VAL A 35 43.801 -0.901 -1.844 1.00 0.02 C ATOM 516 O VAL A 35 44.613 -1.313 -1.022 1.00 0.02 O ATOM 517 CB VAL A 35 43.263 1.255 -3.074 1.00 0.02 C ATOM 518 CG1 VAL A 35 42.936 1.943 -1.748 1.00 0.02 C ATOM 519 CG2 VAL A 35 43.779 2.250 -4.106 1.00 0.00 C ATOM 0 H VAL A 35 43.656 -0.111 -4.978 1.00 0.01 H new ATOM 0 HA VAL A 35 45.216 0.343 -2.742 1.00 0.02 H new ATOM 0 HB VAL A 35 42.306 0.849 -3.400 1.00 0.02 H new ATOM 0 HG11 VAL A 35 42.273 2.788 -1.931 1.00 0.02 H new ATOM 0 HG12 VAL A 35 42.445 1.234 -1.082 1.00 0.02 H new ATOM 0 HG13 VAL A 35 43.857 2.298 -1.285 1.00 0.02 H new ATOM 0 HG21 VAL A 35 43.105 3.105 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 35 44.775 2.588 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 35 43.827 1.769 -5.083 1.00 0.00 H new ATOM 529 N MET A 36 42.513 -1.273 -1.862 1.00 0.02 N ATOM 530 CA MET A 36 42.043 -2.187 -0.822 1.00 0.02 C ATOM 531 C MET A 36 42.801 -3.499 -0.828 1.00 0.00 C ATOM 532 O MET A 36 43.152 -4.110 0.169 1.00 0.02 O ATOM 533 CB MET A 36 40.537 -2.419 -0.957 1.00 0.02 C ATOM 534 CG MET A 36 39.712 -1.269 -0.375 1.00 0.01 C ATOM 535 SD MET A 36 40.094 -0.990 1.360 1.00 0.01 S ATOM 536 CE MET A 36 40.966 0.577 1.195 1.00 0.02 C ATOM 0 H MET A 36 41.816 -0.974 -2.544 1.00 0.02 H new ATOM 0 HA MET A 36 42.238 -1.716 0.142 1.00 0.02 H new ATOM 0 HB2 MET A 36 40.285 -2.546 -2.010 1.00 0.02 H new ATOM 0 HB3 MET A 36 40.269 -3.347 -0.451 1.00 0.02 H new ATOM 0 HG2 MET A 36 39.906 -0.358 -0.942 1.00 0.01 H new ATOM 0 HG3 MET A 36 38.650 -1.491 -0.483 1.00 0.01 H new ATOM 0 HE1 MET A 36 41.022 1.066 2.167 1.00 0.02 H new ATOM 0 HE2 MET A 36 41.974 0.395 0.822 1.00 0.02 H new ATOM 0 HE3 MET A 36 40.431 1.219 0.496 1.00 0.02 H new ATOM 546 N ARG A 37 43.082 -3.926 -2.064 1.00 0.02 N ATOM 547 CA ARG A 37 43.894 -5.136 -2.188 1.00 0.00 C ATOM 548 C ARG A 37 45.305 -5.028 -1.633 1.00 0.01 C ATOM 549 O ARG A 37 45.890 -6.010 -1.199 1.00 0.02 O ATOM 550 CB ARG A 37 43.988 -5.567 -3.644 1.00 0.02 C ATOM 551 CG ARG A 37 44.408 -7.002 -3.863 1.00 0.02 C ATOM 552 CD ARG A 37 43.224 -7.962 -3.947 1.00 0.00 C ATOM 553 NE ARG A 37 43.545 -9.201 -3.237 1.00 0.02 N ATOM 554 CZ ARG A 37 44.390 -10.101 -3.778 1.00 0.02 C ATOM 555 NH1 ARG A 37 44.896 -9.880 -4.992 1.00 0.02 N ATOM 556 NH2 ARG A 37 44.703 -11.201 -3.105 1.00 0.02 N ATOM 0 H ARG A 37 42.783 -3.487 -2.935 1.00 0.02 H new ATOM 0 HA ARG A 37 43.372 -5.874 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 37 43.017 -5.413 -4.115 1.00 0.02 H new ATOM 0 HB3 ARG A 37 44.697 -4.915 -4.154 1.00 0.02 H new ATOM 0 HG2 ARG A 37 44.989 -7.069 -4.783 1.00 0.02 H new ATOM 0 HG3 ARG A 37 45.063 -7.312 -3.049 1.00 0.02 H new ATOM 0 HD2 ARG A 37 42.337 -7.501 -3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 37 42.992 -8.178 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 37 43.126 -9.385 -2.325 1.00 0.02 H new ATOM 0 HH11 ARG A 37 44.643 -9.035 -5.504 1.00 0.02 H new ATOM 0 HH12 ARG A 37 45.536 -10.556 -5.409 1.00 0.02 H new ATOM 0 HH21 ARG A 37 44.304 -11.364 -2.180 1.00 0.02 H new ATOM 0 HH22 ARG A 37 45.342 -11.884 -3.512 1.00 0.02 H new ATOM 570 N SER A 38 45.833 -3.808 -1.697 1.00 0.02 N ATOM 571 CA SER A 38 47.225 -3.654 -1.306 1.00 0.02 C ATOM 572 C SER A 38 47.391 -3.706 0.193 1.00 0.02 C ATOM 573 O SER A 38 48.408 -4.138 0.721 1.00 0.02 O ATOM 574 CB SER A 38 47.820 -2.372 -1.889 1.00 0.00 C ATOM 575 OG SER A 38 47.140 -1.243 -1.353 1.00 0.02 O ATOM 0 H SER A 38 45.351 -2.961 -1.997 1.00 0.02 H new ATOM 0 HA SER A 38 47.778 -4.497 -1.720 1.00 0.02 H new ATOM 0 HB2 SER A 38 48.883 -2.314 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 38 47.732 -2.380 -2.975 1.00 0.00 H new ATOM 0 HG SER A 38 46.285 -1.528 -0.969 1.00 0.02 H new ATOM 581 N LEU A 39 46.318 -3.266 0.856 1.00 0.02 N ATOM 582 CA LEU A 39 46.246 -3.372 2.308 1.00 0.00 C ATOM 583 C LEU A 39 46.003 -4.809 2.781 1.00 0.02 C ATOM 584 O LEU A 39 45.994 -5.104 3.971 1.00 0.03 O ATOM 585 CB LEU A 39 45.179 -2.382 2.796 1.00 0.01 C ATOM 586 CG LEU A 39 45.547 -0.879 2.846 1.00 0.02 C ATOM 587 CD1 LEU A 39 46.387 -0.321 1.692 1.00 0.00 C ATOM 588 CD2 LEU A 39 44.280 -0.042 3.001 1.00 0.02 C ATOM 0 H LEU A 39 45.502 -2.841 0.416 1.00 0.02 H new ATOM 0 HA LEU A 39 47.207 -3.109 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 44.305 -2.490 2.153 1.00 0.01 H new ATOM 0 HB3 LEU A 39 44.877 -2.685 3.799 1.00 0.01 H new ATOM 0 HG LEU A 39 46.205 -0.805 3.712 1.00 0.02 H new ATOM 0 HD11 LEU A 39 46.570 0.741 1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 39 47.339 -0.850 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 45.850 -0.456 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 39 44.544 1.015 3.036 1.00 0.02 H new ATOM 0 HD22 LEU A 39 43.618 -0.223 2.154 1.00 0.02 H new ATOM 0 HD23 LEU A 39 43.771 -0.319 3.924 1.00 0.02 H new ATOM 600 N GLY A 40 45.857 -5.681 1.772 1.00 0.02 N ATOM 601 CA GLY A 40 45.700 -7.097 2.040 1.00 0.02 C ATOM 602 C GLY A 40 44.250 -7.441 2.246 1.00 0.01 C ATOM 603 O GLY A 40 43.853 -7.826 3.331 1.00 0.02 O ATOM 0 H GLY A 40 45.846 -5.426 0.784 1.00 0.02 H new ATOM 0 HA2 GLY A 40 46.102 -7.676 1.209 1.00 0.02 H new ATOM 0 HA3 GLY A 40 46.273 -7.370 2.926 1.00 0.02 H new ATOM 607 N GLN A 41 43.481 -7.292 1.160 1.00 0.01 N ATOM 608 CA GLN A 41 42.037 -7.545 1.193 1.00 0.01 C ATOM 609 C GLN A 41 41.612 -7.950 -0.201 1.00 0.02 C ATOM 610 O GLN A 41 42.395 -7.842 -1.140 1.00 0.02 O ATOM 611 CB GLN A 41 41.238 -6.298 1.603 1.00 0.02 C ATOM 612 CG GLN A 41 41.397 -5.811 3.050 1.00 0.00 C ATOM 613 CD GLN A 41 40.856 -6.848 4.015 1.00 0.02 C ATOM 614 OE1 GLN A 41 39.533 -6.970 3.990 1.00 0.02 O flip ATOM 615 NE2 GLN A 41 41.571 -7.520 4.738 1.00 0.00 N flip ATOM 0 H GLN A 41 43.835 -6.998 0.250 1.00 0.01 H new ATOM 0 HA GLN A 41 41.837 -8.324 1.929 1.00 0.01 H new ATOM 0 HB2 GLN A 41 41.520 -5.482 0.938 1.00 0.02 H new ATOM 0 HB3 GLN A 41 40.181 -6.501 1.428 1.00 0.02 H new ATOM 0 HG2 GLN A 41 42.449 -5.619 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 41 40.867 -4.868 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 41 42.582 -7.388 4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 41 41.158 -8.214 5.361 1.00 0.00 H new ATOM 624 N ASN A 42 40.364 -8.410 -0.355 1.00 0.02 N ATOM 625 CA ASN A 42 39.913 -8.737 -1.714 1.00 0.01 C ATOM 626 C ASN A 42 38.555 -8.157 -2.001 1.00 0.00 C ATOM 627 O ASN A 42 37.576 -8.726 -1.556 1.00 0.02 O ATOM 628 CB ASN A 42 39.860 -10.251 -1.955 1.00 0.02 C ATOM 629 CG ASN A 42 39.683 -10.565 -3.436 1.00 0.02 C ATOM 630 OD1 ASN A 42 38.616 -10.605 -4.018 1.00 0.02 O ATOM 631 ND2 ASN A 42 40.829 -10.844 -4.053 1.00 0.01 N ATOM 0 H ASN A 42 39.685 -8.558 0.392 1.00 0.02 H new ATOM 0 HA ASN A 42 40.648 -8.295 -2.387 1.00 0.01 H new ATOM 0 HB2 ASN A 42 40.777 -10.713 -1.589 1.00 0.02 H new ATOM 0 HB3 ASN A 42 39.036 -10.684 -1.387 1.00 0.02 H new ATOM 0 HD21 ASN A 42 40.827 -11.100 -5.040 1.00 0.01 H new ATOM 0 HD22 ASN A 42 41.709 -10.802 -3.538 1.00 0.01 H new ATOM 638 N PRO A 43 38.595 -7.029 -2.746 1.00 0.02 N ATOM 639 CA PRO A 43 37.355 -6.366 -3.112 1.00 0.00 C ATOM 640 C PRO A 43 36.737 -6.959 -4.376 1.00 0.01 C ATOM 641 O PRO A 43 37.423 -7.475 -5.268 1.00 0.01 O ATOM 642 CB PRO A 43 37.845 -4.921 -3.255 1.00 0.02 C ATOM 643 CG PRO A 43 39.253 -5.035 -3.839 1.00 0.02 C ATOM 644 CD PRO A 43 39.784 -6.302 -3.188 1.00 0.01 C ATOM 0 HA PRO A 43 36.537 -6.471 -2.399 1.00 0.00 H new ATOM 0 HB2 PRO A 43 37.191 -4.346 -3.911 1.00 0.02 H new ATOM 0 HB3 PRO A 43 37.858 -4.412 -2.291 1.00 0.02 H new ATOM 0 HG2 PRO A 43 39.235 -5.115 -4.926 1.00 0.02 H new ATOM 0 HG3 PRO A 43 39.865 -4.167 -3.593 1.00 0.02 H new ATOM 0 HD2 PRO A 43 40.368 -6.893 -3.894 1.00 0.01 H new ATOM 0 HD3 PRO A 43 40.439 -6.069 -2.348 1.00 0.01 H new ATOM 652 N THR A 44 35.413 -6.858 -4.417 1.00 0.02 N ATOM 653 CA THR A 44 34.656 -7.206 -5.608 1.00 0.01 C ATOM 654 C THR A 44 34.592 -6.007 -6.541 1.00 0.02 C ATOM 655 O THR A 44 34.888 -4.888 -6.148 1.00 0.02 O ATOM 656 CB THR A 44 33.295 -7.746 -5.128 1.00 0.00 C ATOM 657 OG1 THR A 44 33.580 -8.894 -4.337 1.00 0.01 O ATOM 658 CG2 THR A 44 32.332 -8.217 -6.222 1.00 0.02 C ATOM 0 H THR A 44 34.843 -6.537 -3.635 1.00 0.02 H new ATOM 0 HA THR A 44 35.123 -7.989 -6.206 1.00 0.01 H new ATOM 0 HB THR A 44 32.802 -6.918 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 44 32.742 -9.278 -4.003 1.00 0.01 H new ATOM 0 HG21 THR A 44 31.409 -8.575 -5.765 1.00 0.02 H new ATOM 0 HG22 THR A 44 32.107 -7.386 -6.891 1.00 0.02 H new ATOM 0 HG23 THR A 44 32.793 -9.025 -6.789 1.00 0.02 H new ATOM 666 N GLU A 45 34.211 -6.255 -7.812 1.00 0.02 N ATOM 667 CA GLU A 45 34.094 -5.116 -8.734 1.00 0.02 C ATOM 668 C GLU A 45 33.198 -4.010 -8.186 1.00 0.02 C ATOM 669 O GLU A 45 33.516 -2.825 -8.230 1.00 0.01 O ATOM 670 CB GLU A 45 33.630 -5.578 -10.125 1.00 0.01 C ATOM 671 CG GLU A 45 34.667 -6.430 -10.885 1.00 0.02 C ATOM 672 CD GLU A 45 34.252 -6.689 -12.337 1.00 0.02 C ATOM 673 OE1 GLU A 45 33.759 -5.762 -12.985 1.00 0.02 O ATOM 674 OE2 GLU A 45 34.444 -7.810 -12.833 1.00 0.02 O ATOM 0 H GLU A 45 33.993 -7.172 -8.201 1.00 0.02 H new ATOM 0 HA GLU A 45 35.090 -4.685 -8.835 1.00 0.02 H new ATOM 0 HB2 GLU A 45 32.711 -6.155 -10.017 1.00 0.01 H new ATOM 0 HB3 GLU A 45 33.387 -4.701 -10.725 1.00 0.01 H new ATOM 0 HG2 GLU A 45 35.632 -5.923 -10.870 1.00 0.02 H new ATOM 0 HG3 GLU A 45 34.799 -7.382 -10.371 1.00 0.02 H new ATOM 681 N ALA A 46 32.107 -4.519 -7.572 1.00 0.00 N ATOM 682 CA ALA A 46 31.183 -3.634 -6.870 1.00 0.01 C ATOM 683 C ALA A 46 31.903 -2.859 -5.797 1.00 0.00 C ATOM 684 O ALA A 46 31.844 -1.655 -5.751 1.00 0.01 O ATOM 685 CB ALA A 46 30.028 -4.419 -6.250 1.00 0.01 C ATOM 0 H ALA A 46 31.859 -5.508 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 46 30.775 -2.937 -7.602 1.00 0.01 H new ATOM 0 HB1 ALA A 46 29.357 -3.732 -5.734 1.00 0.01 H new ATOM 0 HB2 ALA A 46 29.480 -4.941 -7.035 1.00 0.01 H new ATOM 0 HB3 ALA A 46 30.422 -5.145 -5.538 1.00 0.01 H new ATOM 691 N GLU A 47 32.723 -3.585 -5.015 1.00 0.02 N ATOM 692 CA GLU A 47 33.431 -2.818 -3.989 1.00 0.00 C ATOM 693 C GLU A 47 34.293 -1.697 -4.531 1.00 0.00 C ATOM 694 O GLU A 47 34.576 -0.728 -3.865 1.00 0.02 O ATOM 695 CB GLU A 47 34.292 -3.713 -3.111 1.00 0.02 C ATOM 696 CG GLU A 47 33.494 -4.697 -2.260 1.00 0.00 C ATOM 697 CD GLU A 47 34.466 -5.595 -1.520 1.00 0.01 C ATOM 698 OE1 GLU A 47 35.288 -5.101 -0.749 1.00 0.02 O ATOM 699 OE2 GLU A 47 34.419 -6.799 -1.743 1.00 0.02 O ATOM 0 H GLU A 47 32.898 -4.589 -5.062 1.00 0.02 H new ATOM 0 HA GLU A 47 32.635 -2.363 -3.400 1.00 0.00 H new ATOM 0 HB2 GLU A 47 34.982 -4.271 -3.744 1.00 0.02 H new ATOM 0 HB3 GLU A 47 34.897 -3.088 -2.455 1.00 0.02 H new ATOM 0 HG2 GLU A 47 32.862 -4.160 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 32.833 -5.293 -2.890 1.00 0.00 H new ATOM 706 N LEU A 48 34.736 -1.818 -5.779 1.00 0.01 N ATOM 707 CA LEU A 48 35.547 -0.688 -6.265 1.00 0.02 C ATOM 708 C LEU A 48 34.739 0.576 -6.511 1.00 0.01 C ATOM 709 O LEU A 48 35.118 1.683 -6.162 1.00 0.00 O ATOM 710 CB LEU A 48 36.271 -1.110 -7.537 1.00 0.01 C ATOM 711 CG LEU A 48 37.507 -2.000 -7.362 1.00 0.01 C ATOM 712 CD1 LEU A 48 37.466 -2.963 -6.184 1.00 0.01 C ATOM 713 CD2 LEU A 48 37.814 -2.748 -8.654 1.00 0.02 C ATOM 0 H LEU A 48 34.576 -2.595 -6.420 1.00 0.01 H new ATOM 0 HA LEU A 48 36.261 -0.438 -5.480 1.00 0.02 H new ATOM 0 HB2 LEU A 48 35.560 -1.636 -8.175 1.00 0.01 H new ATOM 0 HB3 LEU A 48 36.573 -0.209 -8.072 1.00 0.01 H new ATOM 0 HG LEU A 48 38.313 -1.307 -7.122 1.00 0.01 H new ATOM 0 HD11 LEU A 48 38.389 -3.542 -6.155 1.00 0.01 H new ATOM 0 HD12 LEU A 48 37.362 -2.399 -5.257 1.00 0.01 H new ATOM 0 HD13 LEU A 48 36.617 -3.638 -6.295 1.00 0.01 H new ATOM 0 HD21 LEU A 48 38.694 -3.375 -8.511 1.00 0.02 H new ATOM 0 HD22 LEU A 48 36.963 -3.374 -8.923 1.00 0.02 H new ATOM 0 HD23 LEU A 48 38.005 -2.031 -9.453 1.00 0.02 H new ATOM 725 N GLN A 49 33.601 0.310 -7.167 1.00 0.00 N ATOM 726 CA GLN A 49 32.655 1.379 -7.459 1.00 0.00 C ATOM 727 C GLN A 49 32.015 2.008 -6.234 1.00 0.00 C ATOM 728 O GLN A 49 31.845 3.220 -6.134 1.00 0.02 O ATOM 729 CB GLN A 49 31.594 0.843 -8.423 1.00 0.01 C ATOM 730 CG GLN A 49 30.684 1.931 -8.997 1.00 0.02 C ATOM 731 CD GLN A 49 31.502 2.875 -9.862 1.00 0.02 C ATOM 732 OE1 GLN A 49 31.626 2.700 -11.074 1.00 0.00 O ATOM 733 NE2 GLN A 49 32.067 3.890 -9.213 1.00 0.01 N ATOM 0 H GLN A 49 33.323 -0.615 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 49 33.220 2.191 -7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.089 0.325 -9.244 1.00 0.01 H new ATOM 0 HB3 GLN A 49 30.982 0.106 -7.903 1.00 0.01 H new ATOM 0 HG2 GLN A 49 29.887 1.479 -9.588 1.00 0.02 H new ATOM 0 HG3 GLN A 49 30.207 2.484 -8.188 1.00 0.02 H new ATOM 0 HE21 GLN A 49 31.933 3.990 -8.207 1.00 0.01 H new ATOM 0 HE22 GLN A 49 32.634 4.568 -9.722 1.00 0.01 H new ATOM 742 N ASP A 50 31.708 1.093 -5.318 1.00 0.01 N ATOM 743 CA ASP A 50 30.976 1.430 -4.118 1.00 0.01 C ATOM 744 C ASP A 50 31.884 2.038 -3.084 1.00 0.00 C ATOM 745 O ASP A 50 31.564 3.066 -2.528 1.00 0.01 O ATOM 746 CB ASP A 50 30.258 0.200 -3.537 1.00 0.01 C ATOM 747 CG ASP A 50 29.197 -0.413 -4.456 1.00 0.00 C ATOM 748 OD1 ASP A 50 29.041 -0.002 -5.609 1.00 0.01 O ATOM 749 OD2 ASP A 50 28.511 -1.326 -4.001 1.00 0.00 O ATOM 0 H ASP A 50 31.961 0.108 -5.393 1.00 0.01 H new ATOM 0 HA ASP A 50 30.222 2.167 -4.393 1.00 0.01 H new ATOM 0 HB2 ASP A 50 31.002 -0.562 -3.304 1.00 0.01 H new ATOM 0 HB3 ASP A 50 29.785 0.482 -2.596 1.00 0.01 H new ATOM 754 N MET A 51 33.050 1.405 -2.863 1.00 0.01 N ATOM 755 CA MET A 51 33.986 1.993 -1.890 1.00 0.02 C ATOM 756 C MET A 51 34.353 3.429 -2.189 1.00 0.02 C ATOM 757 O MET A 51 34.488 4.246 -1.297 1.00 0.01 O ATOM 758 CB MET A 51 35.323 1.260 -1.773 1.00 0.01 C ATOM 759 CG MET A 51 35.365 -0.126 -1.123 1.00 0.01 C ATOM 760 SD MET A 51 35.418 -0.141 0.666 1.00 0.01 S ATOM 761 CE MET A 51 33.794 -0.871 0.922 1.00 0.01 C ATOM 0 H MET A 51 33.354 0.541 -3.312 1.00 0.01 H new ATOM 0 HA MET A 51 33.416 1.909 -0.965 1.00 0.02 H new ATOM 0 HB2 MET A 51 35.732 1.162 -2.779 1.00 0.01 H new ATOM 0 HB3 MET A 51 36.002 1.904 -1.214 1.00 0.01 H new ATOM 0 HG2 MET A 51 34.488 -0.686 -1.447 1.00 0.01 H new ATOM 0 HG3 MET A 51 36.239 -0.657 -1.499 1.00 0.01 H new ATOM 0 HE1 MET A 51 33.607 -0.977 1.991 1.00 0.01 H new ATOM 0 HE2 MET A 51 33.032 -0.227 0.483 1.00 0.01 H new ATOM 0 HE3 MET A 51 33.757 -1.852 0.448 1.00 0.01 H new ATOM 771 N ILE A 52 34.534 3.697 -3.496 1.00 0.02 N ATOM 772 CA ILE A 52 34.764 5.092 -3.884 1.00 0.00 C ATOM 773 C ILE A 52 33.554 5.953 -3.563 1.00 0.02 C ATOM 774 O ILE A 52 33.602 6.866 -2.758 1.00 0.00 O ATOM 775 CB ILE A 52 35.191 5.167 -5.363 1.00 0.01 C ATOM 776 CG1 ILE A 52 36.635 4.658 -5.408 1.00 0.00 C ATOM 777 CG2 ILE A 52 35.084 6.589 -5.945 1.00 0.00 C ATOM 778 CD1 ILE A 52 37.518 5.280 -6.490 1.00 0.02 C ATOM 0 H ILE A 52 34.527 3.014 -4.253 1.00 0.02 H new ATOM 0 HA ILE A 52 35.586 5.501 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 52 34.526 4.562 -5.979 1.00 0.01 H new ATOM 0 HG12 ILE A 52 37.097 4.840 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 52 36.617 3.578 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 52 35.398 6.579 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 52 34.052 6.932 -5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 52 35.727 7.263 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 52 38.518 4.851 -6.435 1.00 0.02 H new ATOM 0 HD12 ILE A 52 37.089 5.076 -7.471 1.00 0.02 H new ATOM 0 HD13 ILE A 52 37.577 6.358 -6.337 1.00 0.02 H new ATOM 790 N ASN A 53 32.425 5.547 -4.169 1.00 0.02 N ATOM 791 CA ASN A 53 31.230 6.394 -4.024 1.00 0.02 C ATOM 792 C ASN A 53 30.769 6.649 -2.588 1.00 0.00 C ATOM 793 O ASN A 53 30.258 7.694 -2.209 1.00 0.01 O ATOM 794 CB ASN A 53 30.107 5.793 -4.861 1.00 0.01 C ATOM 795 CG ASN A 53 28.955 6.759 -5.073 1.00 0.02 C ATOM 796 OD1 ASN A 53 28.962 7.946 -4.806 1.00 0.01 O ATOM 797 ND2 ASN A 53 27.919 6.185 -5.654 1.00 0.00 N ATOM 0 H ASN A 53 32.314 4.700 -4.726 1.00 0.02 H new ATOM 0 HA ASN A 53 31.509 7.385 -4.383 1.00 0.02 H new ATOM 0 HB2 ASN A 53 30.504 5.489 -5.829 1.00 0.01 H new ATOM 0 HB3 ASN A 53 29.736 4.893 -4.371 1.00 0.01 H new ATOM 0 HD21 ASN A 53 27.096 6.739 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 53 27.941 5.188 -5.866 1.00 0.00 H new ATOM 804 N GLU A 54 30.995 5.626 -1.767 1.00 0.00 N ATOM 805 CA GLU A 54 30.656 5.773 -0.357 1.00 0.00 C ATOM 806 C GLU A 54 31.472 6.821 0.376 1.00 0.01 C ATOM 807 O GLU A 54 31.022 7.357 1.389 1.00 0.00 O ATOM 808 CB GLU A 54 30.706 4.438 0.411 1.00 0.00 C ATOM 809 CG GLU A 54 32.122 3.866 0.589 1.00 0.01 C ATOM 810 CD GLU A 54 32.207 2.708 1.574 1.00 0.01 C ATOM 811 OE1 GLU A 54 31.289 1.897 1.633 1.00 0.01 O ATOM 812 OE2 GLU A 54 33.202 2.596 2.291 1.00 0.01 O ATOM 0 H GLU A 54 31.393 4.726 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 54 29.625 6.128 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 54 30.258 4.580 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 54 30.094 3.706 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 54 32.491 3.532 -0.380 1.00 0.01 H new ATOM 0 HG3 GLU A 54 32.785 4.664 0.925 1.00 0.01 H new ATOM 819 N VAL A 55 32.681 7.058 -0.154 1.00 0.01 N ATOM 820 CA VAL A 55 33.564 8.055 0.430 1.00 0.02 C ATOM 821 C VAL A 55 33.904 9.206 -0.504 1.00 0.02 C ATOM 822 O VAL A 55 34.841 9.957 -0.258 1.00 0.02 O ATOM 823 CB VAL A 55 34.834 7.389 0.988 1.00 0.01 C ATOM 824 CG1 VAL A 55 34.452 6.381 2.072 1.00 0.01 C ATOM 825 CG2 VAL A 55 35.724 6.761 -0.089 1.00 0.01 C ATOM 0 H VAL A 55 33.057 6.578 -0.972 1.00 0.01 H new ATOM 0 HA VAL A 55 33.009 8.509 1.251 1.00 0.02 H new ATOM 0 HB VAL A 55 35.445 8.176 1.429 1.00 0.01 H new ATOM 0 HG11 VAL A 55 35.353 5.911 2.465 1.00 0.01 H new ATOM 0 HG12 VAL A 55 33.929 6.895 2.879 1.00 0.01 H new ATOM 0 HG13 VAL A 55 33.801 5.618 1.646 1.00 0.01 H new ATOM 0 HG21 VAL A 55 36.599 6.311 0.379 1.00 0.01 H new ATOM 0 HG22 VAL A 55 35.163 5.994 -0.622 1.00 0.01 H new ATOM 0 HG23 VAL A 55 36.044 7.531 -0.791 1.00 0.01 H new ATOM 835 N ASP A 56 33.094 9.316 -1.569 1.00 0.01 N ATOM 836 CA ASP A 56 33.286 10.415 -2.513 1.00 0.02 C ATOM 837 C ASP A 56 32.519 11.645 -2.068 1.00 0.02 C ATOM 838 O ASP A 56 31.299 11.654 -1.891 1.00 0.02 O ATOM 839 CB ASP A 56 32.905 9.986 -3.938 1.00 0.02 C ATOM 840 CG ASP A 56 33.364 11.027 -4.941 1.00 0.01 C ATOM 841 OD1 ASP A 56 34.436 11.592 -4.743 1.00 0.01 O ATOM 842 OD2 ASP A 56 32.636 11.290 -5.902 1.00 0.02 O ATOM 0 H ASP A 56 32.328 8.680 -1.789 1.00 0.01 H new ATOM 0 HA ASP A 56 34.344 10.678 -2.527 1.00 0.02 H new ATOM 0 HB2 ASP A 56 33.360 9.023 -4.169 1.00 0.02 H new ATOM 0 HB3 ASP A 56 31.825 9.854 -4.009 1.00 0.02 H new ATOM 847 N ALA A 57 33.305 12.680 -1.778 1.00 0.00 N ATOM 848 CA ALA A 57 32.607 13.829 -1.216 1.00 0.01 C ATOM 849 C ALA A 57 32.039 14.771 -2.253 1.00 0.02 C ATOM 850 O ALA A 57 31.079 15.501 -1.991 1.00 0.00 O ATOM 851 CB ALA A 57 33.505 14.617 -0.266 1.00 0.01 C ATOM 0 H ALA A 57 34.315 12.751 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 57 31.766 13.402 -0.670 1.00 0.01 H new ATOM 0 HB1 ALA A 57 32.953 15.467 0.135 1.00 0.01 H new ATOM 0 HB2 ALA A 57 33.823 13.972 0.553 1.00 0.01 H new ATOM 0 HB3 ALA A 57 34.381 14.976 -0.807 1.00 0.01 H new ATOM 857 N ASP A 58 32.688 14.739 -3.414 1.00 0.01 N ATOM 858 CA ASP A 58 32.270 15.597 -4.524 1.00 0.01 C ATOM 859 C ASP A 58 31.273 14.959 -5.484 1.00 0.02 C ATOM 860 O ASP A 58 30.598 15.646 -6.264 1.00 0.01 O ATOM 861 CB ASP A 58 33.511 16.136 -5.266 1.00 0.02 C ATOM 862 CG ASP A 58 34.431 15.013 -5.726 1.00 0.02 C ATOM 863 OD1 ASP A 58 34.073 13.857 -5.527 1.00 0.01 O ATOM 864 OD2 ASP A 58 35.490 15.297 -6.290 1.00 0.02 O ATOM 0 H ASP A 58 33.491 14.141 -3.611 1.00 0.01 H new ATOM 0 HA ASP A 58 31.719 16.426 -4.078 1.00 0.01 H new ATOM 0 HB2 ASP A 58 33.192 16.720 -6.129 1.00 0.02 H new ATOM 0 HB3 ASP A 58 34.061 16.810 -4.610 1.00 0.02 H new ATOM 869 N GLY A 59 31.153 13.621 -5.365 1.00 0.02 N ATOM 870 CA GLY A 59 30.225 12.971 -6.291 1.00 0.01 C ATOM 871 C GLY A 59 30.786 12.814 -7.707 1.00 0.02 C ATOM 872 O GLY A 59 30.062 12.484 -8.653 1.00 0.02 O ATOM 0 H GLY A 59 31.640 13.021 -4.700 1.00 0.02 H new ATOM 0 HA2 GLY A 59 29.964 11.987 -5.901 1.00 0.01 H new ATOM 0 HA3 GLY A 59 29.303 13.551 -6.336 1.00 0.01 H new ATOM 876 N ASN A 60 32.089 13.100 -7.840 1.00 0.01 N ATOM 877 CA ASN A 60 32.721 13.034 -9.157 1.00 0.02 C ATOM 878 C ASN A 60 32.998 11.626 -9.686 1.00 0.01 C ATOM 879 O ASN A 60 32.884 11.390 -10.891 1.00 0.02 O ATOM 880 CB ASN A 60 33.970 13.930 -9.216 1.00 0.01 C ATOM 881 CG ASN A 60 35.083 13.371 -8.353 1.00 0.02 C ATOM 882 OD1 ASN A 60 34.891 12.421 -7.616 1.00 0.02 O ATOM 883 ND2 ASN A 60 36.243 14.005 -8.489 1.00 0.02 N ATOM 0 H ASN A 60 32.707 13.371 -7.075 1.00 0.01 H new ATOM 0 HA ASN A 60 31.973 13.425 -9.846 1.00 0.02 H new ATOM 0 HB2 ASN A 60 34.313 14.014 -10.247 1.00 0.01 H new ATOM 0 HB3 ASN A 60 33.716 14.936 -8.881 1.00 0.01 H new ATOM 0 HD21 ASN A 60 37.056 13.702 -7.952 1.00 0.02 H new ATOM 0 HD22 ASN A 60 36.321 14.795 -9.130 1.00 0.02 H new ATOM 890 N GLY A 61 33.290 10.710 -8.754 1.00 0.01 N ATOM 891 CA GLY A 61 33.676 9.351 -9.129 1.00 0.01 C ATOM 892 C GLY A 61 35.173 9.058 -9.112 1.00 0.02 C ATOM 893 O GLY A 61 35.659 8.234 -9.898 1.00 0.02 O ATOM 0 H GLY A 61 33.266 10.885 -7.749 1.00 0.01 H new ATOM 0 HA2 GLY A 61 33.181 8.653 -8.454 1.00 0.01 H new ATOM 0 HA3 GLY A 61 33.297 9.149 -10.131 1.00 0.01 H new ATOM 897 N THR A 62 35.844 9.760 -8.187 1.00 0.02 N ATOM 898 CA THR A 62 37.280 9.609 -8.000 1.00 0.02 C ATOM 899 C THR A 62 37.618 9.955 -6.558 1.00 0.02 C ATOM 900 O THR A 62 36.859 10.600 -5.855 1.00 0.02 O ATOM 901 CB THR A 62 38.068 10.506 -8.980 1.00 0.02 C ATOM 902 OG1 THR A 62 37.370 11.713 -9.216 1.00 0.02 O ATOM 903 CG2 THR A 62 38.284 9.893 -10.364 1.00 0.02 C ATOM 0 H THR A 62 35.408 10.436 -7.560 1.00 0.02 H new ATOM 0 HA THR A 62 37.567 8.578 -8.209 1.00 0.02 H new ATOM 0 HB THR A 62 39.032 10.649 -8.491 1.00 0.02 H new ATOM 0 HG1 THR A 62 37.883 12.271 -9.837 1.00 0.02 H new ATOM 0 HG21 THR A 62 38.845 10.590 -10.987 1.00 0.02 H new ATOM 0 HG22 THR A 62 38.843 8.962 -10.266 1.00 0.02 H new ATOM 0 HG23 THR A 62 37.318 9.690 -10.827 1.00 0.02 H new ATOM 911 N ILE A 63 38.804 9.488 -6.136 1.00 0.01 N ATOM 912 CA ILE A 63 39.152 9.832 -4.749 1.00 0.02 C ATOM 913 C ILE A 63 40.496 10.529 -4.674 1.00 0.02 C ATOM 914 O ILE A 63 41.469 10.077 -5.288 1.00 0.01 O ATOM 915 CB ILE A 63 39.166 8.568 -3.861 1.00 0.02 C ATOM 916 CG1 ILE A 63 37.813 7.865 -3.842 1.00 0.02 C ATOM 917 CG2 ILE A 63 39.574 8.859 -2.410 1.00 0.00 C ATOM 918 CD1 ILE A 63 36.715 8.653 -3.126 1.00 0.02 C ATOM 0 H ILE A 63 39.474 8.931 -6.666 1.00 0.01 H new ATOM 0 HA ILE A 63 38.389 10.518 -4.380 1.00 0.02 H new ATOM 0 HB ILE A 63 39.915 7.919 -4.315 1.00 0.02 H new ATOM 0 HG12 ILE A 63 37.499 7.674 -4.868 1.00 0.02 H new ATOM 0 HG13 ILE A 63 37.925 6.895 -3.358 1.00 0.02 H new ATOM 0 HG21 ILE A 63 39.565 7.932 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 63 40.576 9.287 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 63 38.871 9.565 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 63 35.784 8.088 -3.155 1.00 0.02 H new ATOM 0 HD12 ILE A 63 37.005 8.821 -2.089 1.00 0.02 H new ATOM 0 HD13 ILE A 63 36.573 9.612 -3.623 1.00 0.02 H new ATOM 930 N ASP A 64 40.579 11.590 -3.882 1.00 0.01 N ATOM 931 CA ASP A 64 41.868 12.232 -3.687 1.00 0.01 C ATOM 932 C ASP A 64 42.417 12.044 -2.272 1.00 0.02 C ATOM 933 O ASP A 64 41.827 11.441 -1.385 1.00 0.02 O ATOM 934 CB ASP A 64 41.766 13.708 -4.139 1.00 0.01 C ATOM 935 CG ASP A 64 41.050 14.615 -3.135 1.00 0.02 C ATOM 936 OD1 ASP A 64 40.660 14.145 -2.076 1.00 0.01 O ATOM 937 OD2 ASP A 64 40.962 15.826 -3.341 1.00 0.01 O ATOM 0 H ASP A 64 39.797 12.012 -3.380 1.00 0.01 H new ATOM 0 HA ASP A 64 42.614 11.743 -4.313 1.00 0.01 H new ATOM 0 HB2 ASP A 64 42.770 14.095 -4.312 1.00 0.01 H new ATOM 0 HB3 ASP A 64 41.239 13.750 -5.092 1.00 0.01 H new ATOM 942 N PHE A 65 43.610 12.601 -2.031 1.00 0.02 N ATOM 943 CA PHE A 65 44.072 12.554 -0.633 1.00 0.01 C ATOM 944 C PHE A 65 43.156 13.164 0.449 1.00 0.03 C ATOM 945 O PHE A 65 42.949 12.564 1.513 1.00 0.02 O ATOM 946 CB PHE A 65 45.540 13.033 -0.502 1.00 0.00 C ATOM 947 CG PHE A 65 45.944 13.298 0.938 1.00 0.02 C ATOM 948 CD1 PHE A 65 45.967 12.245 1.882 1.00 0.01 C ATOM 949 CD2 PHE A 65 46.270 14.620 1.315 1.00 0.00 C ATOM 950 CE1 PHE A 65 46.285 12.525 3.225 1.00 0.02 C ATOM 951 CE2 PHE A 65 46.594 14.900 2.656 1.00 0.02 C ATOM 952 CZ PHE A 65 46.586 13.851 3.600 1.00 0.02 C ATOM 0 H PHE A 65 44.225 13.050 -2.710 1.00 0.02 H new ATOM 0 HA PHE A 65 44.014 11.491 -0.397 1.00 0.01 H new ATOM 0 HB2 PHE A 65 46.203 12.280 -0.928 1.00 0.00 H new ATOM 0 HB3 PHE A 65 45.674 13.943 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 65 45.742 11.234 1.575 1.00 0.01 H new ATOM 0 HD2 PHE A 65 46.271 15.411 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 65 46.298 11.733 3.960 1.00 0.02 H new ATOM 0 HE2 PHE A 65 46.846 15.906 2.959 1.00 0.02 H new ATOM 0 HZ PHE A 65 46.815 14.068 4.633 1.00 0.02 H new ATOM 962 N PRO A 66 42.689 14.430 0.256 1.00 0.02 N ATOM 963 CA PRO A 66 41.707 14.970 1.207 1.00 0.02 C ATOM 964 C PRO A 66 40.518 14.067 1.549 1.00 0.01 C ATOM 965 O PRO A 66 40.151 13.897 2.709 1.00 0.01 O ATOM 966 CB PRO A 66 41.283 16.303 0.584 1.00 0.02 C ATOM 967 CG PRO A 66 42.383 16.707 -0.394 1.00 0.01 C ATOM 968 CD PRO A 66 43.060 15.400 -0.776 1.00 0.02 C ATOM 0 HA PRO A 66 42.163 15.072 2.192 1.00 0.02 H new ATOM 0 HB2 PRO A 66 40.327 16.202 0.070 1.00 0.02 H new ATOM 0 HB3 PRO A 66 41.152 17.064 1.353 1.00 0.02 H new ATOM 0 HG2 PRO A 66 41.970 17.209 -1.269 1.00 0.01 H new ATOM 0 HG3 PRO A 66 43.088 17.398 0.067 1.00 0.01 H new ATOM 0 HD2 PRO A 66 42.733 15.065 -1.760 1.00 0.02 H new ATOM 0 HD3 PRO A 66 44.142 15.522 -0.824 1.00 0.02 H new ATOM 976 N GLU A 67 39.942 13.466 0.513 1.00 0.02 N ATOM 977 CA GLU A 67 38.817 12.541 0.625 1.00 0.01 C ATOM 978 C GLU A 67 39.266 11.265 1.278 1.00 0.02 C ATOM 979 O GLU A 67 38.667 10.797 2.240 1.00 0.02 O ATOM 980 CB GLU A 67 38.174 12.262 -0.727 1.00 0.02 C ATOM 981 CG GLU A 67 37.532 13.504 -1.351 1.00 0.01 C ATOM 982 CD GLU A 67 37.057 13.199 -2.758 1.00 0.01 C ATOM 983 OE1 GLU A 67 37.690 12.391 -3.433 1.00 0.02 O ATOM 984 OE2 GLU A 67 36.050 13.776 -3.162 1.00 0.00 O ATOM 0 H GLU A 67 40.250 13.611 -0.449 1.00 0.02 H new ATOM 0 HA GLU A 67 38.056 13.011 1.248 1.00 0.01 H new ATOM 0 HB2 GLU A 67 38.929 11.869 -1.408 1.00 0.02 H new ATOM 0 HB3 GLU A 67 37.416 11.488 -0.610 1.00 0.02 H new ATOM 0 HG2 GLU A 67 36.692 13.834 -0.740 1.00 0.01 H new ATOM 0 HG3 GLU A 67 38.252 14.322 -1.372 1.00 0.01 H new ATOM 991 N PHE A 68 40.456 10.822 0.882 1.00 0.01 N ATOM 992 CA PHE A 68 41.030 9.660 1.546 1.00 0.02 C ATOM 993 C PHE A 68 41.151 9.872 3.040 1.00 0.02 C ATOM 994 O PHE A 68 40.884 8.990 3.840 1.00 0.02 O ATOM 995 CB PHE A 68 42.396 9.293 0.950 1.00 0.01 C ATOM 996 CG PHE A 68 43.059 8.152 1.693 1.00 0.02 C ATOM 997 CD1 PHE A 68 42.635 6.824 1.464 1.00 0.02 C ATOM 998 CD2 PHE A 68 44.109 8.438 2.595 1.00 0.02 C ATOM 999 CE1 PHE A 68 43.299 5.766 2.113 1.00 0.02 C ATOM 1000 CE2 PHE A 68 44.776 7.381 3.242 1.00 0.02 C ATOM 1001 CZ PHE A 68 44.380 6.053 2.976 1.00 0.00 C ATOM 0 H PHE A 68 41.020 11.230 0.137 1.00 0.01 H new ATOM 0 HA PHE A 68 40.345 8.829 1.376 1.00 0.02 H new ATOM 0 HB2 PHE A 68 42.271 9.018 -0.097 1.00 0.01 H new ATOM 0 HB3 PHE A 68 43.047 10.167 0.974 1.00 0.01 H new ATOM 0 HD1 PHE A 68 41.809 6.622 0.797 1.00 0.02 H new ATOM 0 HD2 PHE A 68 44.398 9.461 2.786 1.00 0.02 H new ATOM 0 HE1 PHE A 68 42.985 4.745 1.953 1.00 0.02 H new ATOM 0 HE2 PHE A 68 45.581 7.584 3.933 1.00 0.02 H new ATOM 0 HZ PHE A 68 44.915 5.239 3.442 1.00 0.00 H new ATOM 1011 N LEU A 69 41.585 11.078 3.428 1.00 0.02 N ATOM 1012 CA LEU A 69 41.714 11.358 4.864 1.00 0.02 C ATOM 1013 C LEU A 69 40.400 11.335 5.629 1.00 0.02 C ATOM 1014 O LEU A 69 40.305 10.850 6.752 1.00 0.02 O ATOM 1015 CB LEU A 69 42.416 12.698 5.116 1.00 0.02 C ATOM 1016 CG LEU A 69 42.686 12.970 6.605 1.00 0.01 C ATOM 1017 CD1 LEU A 69 44.171 12.854 6.949 1.00 0.02 C ATOM 1018 CD2 LEU A 69 42.055 14.279 7.087 1.00 0.02 C ATOM 0 H LEU A 69 41.842 11.842 2.803 1.00 0.02 H new ATOM 0 HA LEU A 69 42.321 10.537 5.245 1.00 0.02 H new ATOM 0 HB2 LEU A 69 43.361 12.713 4.573 1.00 0.02 H new ATOM 0 HB3 LEU A 69 41.803 13.504 4.711 1.00 0.02 H new ATOM 0 HG LEU A 69 42.184 12.182 7.166 1.00 0.01 H new ATOM 0 HD11 LEU A 69 44.315 13.054 8.011 1.00 0.02 H new ATOM 0 HD12 LEU A 69 44.520 11.848 6.719 1.00 0.02 H new ATOM 0 HD13 LEU A 69 44.738 13.578 6.363 1.00 0.02 H new ATOM 0 HD21 LEU A 69 42.276 14.422 8.145 1.00 0.02 H new ATOM 0 HD22 LEU A 69 42.464 15.112 6.515 1.00 0.02 H new ATOM 0 HD23 LEU A 69 40.975 14.236 6.945 1.00 0.02 H new ATOM 1030 N THR A 70 39.380 11.900 4.991 1.00 0.02 N ATOM 1031 CA THR A 70 38.061 11.815 5.630 1.00 0.01 C ATOM 1032 C THR A 70 37.567 10.375 5.817 1.00 0.02 C ATOM 1033 O THR A 70 37.069 9.956 6.868 1.00 0.02 O ATOM 1034 CB THR A 70 37.043 12.660 4.865 1.00 0.13 C ATOM 1035 OG1 THR A 70 36.761 12.070 3.602 1.00 0.18 O ATOM 1036 CG2 THR A 70 37.477 14.118 4.698 1.00 0.11 C ATOM 0 H THR A 70 39.423 12.389 4.097 1.00 0.02 H new ATOM 0 HA THR A 70 38.172 12.220 6.636 1.00 0.01 H new ATOM 0 HB THR A 70 36.134 12.678 5.466 1.00 0.13 H new ATOM 0 HG1 THR A 70 37.580 11.678 3.234 1.00 0.18 H new ATOM 0 HG21 THR A 70 36.712 14.665 4.147 1.00 0.11 H new ATOM 0 HG22 THR A 70 37.611 14.572 5.680 1.00 0.11 H new ATOM 0 HG23 THR A 70 38.417 14.157 4.148 1.00 0.11 H new ATOM 1044 N MET A 71 37.854 9.593 4.759 1.00 0.02 N ATOM 1045 CA MET A 71 37.607 8.153 4.806 1.00 0.02 C ATOM 1046 C MET A 71 38.365 7.499 5.952 1.00 0.02 C ATOM 1047 O MET A 71 37.888 6.688 6.741 1.00 0.02 O ATOM 1048 CB MET A 71 37.966 7.556 3.440 1.00 0.28 C ATOM 1049 CG MET A 71 37.792 6.043 3.287 1.00 0.67 C ATOM 1050 SD MET A 71 39.322 5.110 3.442 1.00 1.89 S ATOM 1051 CE MET A 71 38.893 4.195 4.927 1.00 2.60 C ATOM 0 H MET A 71 38.249 9.932 3.882 1.00 0.02 H new ATOM 0 HA MET A 71 36.553 7.959 5.005 1.00 0.02 H new ATOM 0 HB2 MET A 71 37.356 8.048 2.682 1.00 0.28 H new ATOM 0 HB3 MET A 71 39.005 7.803 3.222 1.00 0.28 H new ATOM 0 HG2 MET A 71 37.086 5.691 4.039 1.00 0.67 H new ATOM 0 HG3 MET A 71 37.349 5.835 2.313 1.00 0.67 H new ATOM 0 HE1 MET A 71 39.356 3.209 4.893 1.00 2.60 H new ATOM 0 HE2 MET A 71 39.252 4.734 5.803 1.00 2.60 H new ATOM 0 HE3 MET A 71 37.810 4.086 4.987 1.00 2.60 H new ATOM 1061 N MET A 72 39.617 7.955 6.092 1.00 0.00 N ATOM 1062 CA MET A 72 40.451 7.440 7.181 1.00 0.02 C ATOM 1063 C MET A 72 39.907 7.676 8.557 1.00 0.02 C ATOM 1064 O MET A 72 39.994 6.820 9.427 1.00 0.02 O ATOM 1065 CB MET A 72 41.882 7.956 7.154 1.00 0.02 C ATOM 1066 CG MET A 72 42.624 7.630 5.870 1.00 0.02 C ATOM 1067 SD MET A 72 41.856 6.344 4.867 1.00 0.02 S ATOM 1068 CE MET A 72 42.501 4.877 5.681 1.00 0.02 C ATOM 0 H MET A 72 40.059 8.651 5.491 1.00 0.00 H new ATOM 0 HA MET A 72 40.441 6.368 6.982 1.00 0.02 H new ATOM 0 HB2 MET A 72 41.872 9.037 7.293 1.00 0.02 H new ATOM 0 HB3 MET A 72 42.428 7.532 7.997 1.00 0.02 H new ATOM 0 HG2 MET A 72 42.706 8.538 5.273 1.00 0.02 H new ATOM 0 HG3 MET A 72 43.639 7.320 6.120 1.00 0.02 H new ATOM 0 HE1 MET A 72 42.079 3.987 5.215 1.00 0.02 H new ATOM 0 HE2 MET A 72 43.587 4.856 5.586 1.00 0.02 H new ATOM 0 HE3 MET A 72 42.229 4.897 6.736 1.00 0.02 H new ATOM 1078 N ALA A 73 39.269 8.845 8.671 1.00 0.01 N ATOM 1079 CA ALA A 73 38.547 9.125 9.908 1.00 0.02 C ATOM 1080 C ALA A 73 37.471 8.104 10.213 1.00 0.01 C ATOM 1081 O ALA A 73 37.208 7.733 11.348 1.00 0.02 O ATOM 1082 CB ALA A 73 37.901 10.509 9.853 1.00 0.01 C ATOM 0 H ALA A 73 39.238 9.576 7.961 1.00 0.01 H new ATOM 0 HA ALA A 73 39.291 9.079 10.703 1.00 0.02 H new ATOM 0 HB1 ALA A 73 37.368 10.699 10.784 1.00 0.01 H new ATOM 0 HB2 ALA A 73 38.673 11.266 9.716 1.00 0.01 H new ATOM 0 HB3 ALA A 73 37.201 10.551 9.019 1.00 0.01 H new