USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 279 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 182 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.91) USER MOD Single : A 184 THR OG1 : rot -19:sc= 0.339 USER MOD Single : A 214 MET CE :methyl 171:sc= 0 (180deg=-0.0691) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 104:sc= 0.227 USER MOD Single : A 224 SER OG : rot 180:sc= 0.136 USER MOD Single : A 228 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 31.585 -27.103 -44.585 1.00 42.40 N ATOM 37 CA LEU A 177 30.382 -26.843 -43.792 1.00 14.14 C ATOM 38 C LEU A 177 29.148 -27.126 -44.651 1.00 25.25 C ATOM 39 O LEU A 177 29.258 -27.185 -45.881 1.00 72.32 O ATOM 40 CB LEU A 177 30.374 -25.376 -43.308 1.00 62.05 C ATOM 41 CG LEU A 177 30.842 -25.194 -41.855 1.00 74.24 C ATOM 42 CD1 LEU A 177 30.945 -23.701 -41.525 1.00 32.31 C ATOM 43 CD2 LEU A 177 29.863 -25.850 -40.877 1.00 21.13 C ATOM 0 HA LEU A 177 30.371 -27.493 -42.917 1.00 14.14 H new ATOM 0 HB2 LEU A 177 31.015 -24.785 -43.962 1.00 62.05 H new ATOM 0 HB3 LEU A 177 29.364 -24.977 -43.406 1.00 62.05 H new ATOM 0 HG LEU A 177 31.817 -25.670 -41.754 1.00 74.24 H new ATOM 0 HD11 LEU A 177 31.277 -23.578 -40.494 1.00 32.31 H new ATOM 0 HD12 LEU A 177 31.663 -23.229 -42.196 1.00 32.31 H new ATOM 0 HD13 LEU A 177 29.969 -23.233 -41.650 1.00 32.31 H new ATOM 0 HD21 LEU A 177 30.218 -25.707 -39.856 1.00 21.13 H new ATOM 0 HD22 LEU A 177 28.879 -25.394 -40.987 1.00 21.13 H new ATOM 0 HD23 LEU A 177 29.795 -26.917 -41.091 1.00 21.13 H new ATOM 55 N ARG A 178 27.979 -27.293 -44.021 1.00 24.30 N ATOM 56 CA ARG A 178 26.663 -27.415 -44.660 1.00 3.45 C ATOM 57 C ARG A 178 25.638 -26.612 -43.846 1.00 25.42 C ATOM 58 O ARG A 178 25.940 -26.176 -42.730 1.00 34.30 O ATOM 59 CB ARG A 178 26.226 -28.899 -44.753 1.00 73.44 C ATOM 60 CG ARG A 178 26.742 -29.666 -45.984 1.00 23.23 C ATOM 61 CD ARG A 178 28.180 -30.198 -45.867 1.00 61.32 C ATOM 62 NE ARG A 178 29.014 -29.724 -46.987 1.00 43.12 N ATOM 63 CZ ARG A 178 29.441 -30.405 -48.057 1.00 4.41 C ATOM 64 NH1 ARG A 178 29.212 -31.713 -48.173 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 30.101 -29.762 -49.019 1.00 63.23 N ATOM 0 H ARG A 178 27.922 -27.349 -43.004 1.00 24.30 H new ATOM 0 HA ARG A 178 26.722 -27.021 -45.675 1.00 3.45 H new ATOM 0 HB2 ARG A 178 26.565 -29.416 -43.856 1.00 73.44 H new ATOM 0 HB3 ARG A 178 25.137 -28.940 -44.752 1.00 73.44 H new ATOM 0 HG2 ARG A 178 26.075 -30.507 -46.175 1.00 23.23 H new ATOM 0 HG3 ARG A 178 26.684 -29.010 -46.852 1.00 23.23 H new ATOM 0 HD2 ARG A 178 28.616 -29.873 -44.922 1.00 61.32 H new ATOM 0 HD3 ARG A 178 28.168 -31.288 -45.854 1.00 61.32 H new ATOM 0 HE ARG A 178 29.304 -28.747 -46.940 1.00 43.12 H new ATOM 0 HH11 ARG A 178 28.705 -32.209 -47.440 1.00 33.23 H new ATOM 0 HH12 ARG A 178 29.544 -32.218 -48.995 1.00 33.23 H new ATOM 0 HH21 ARG A 178 30.276 -28.761 -48.936 1.00 63.23 H new ATOM 0 HH22 ARG A 178 30.431 -30.271 -49.839 1.00 63.23 H new ATOM 79 N GLN A 179 24.432 -26.436 -44.390 1.00 24.00 N ATOM 80 CA GLN A 179 23.223 -25.979 -43.706 1.00 3.32 C ATOM 81 C GLN A 179 22.028 -26.366 -44.594 1.00 35.51 C ATOM 82 O GLN A 179 22.231 -26.771 -45.744 1.00 2.32 O ATOM 83 CB GLN A 179 23.301 -24.453 -43.493 1.00 52.52 C ATOM 84 CG GLN A 179 22.324 -23.928 -42.426 1.00 55.30 C ATOM 85 CD GLN A 179 22.834 -22.656 -41.758 1.00 71.53 C ATOM 86 OE1 GLN A 179 23.952 -22.640 -41.238 1.00 14.25 O ATOM 87 NE2 GLN A 179 22.047 -21.598 -41.740 1.00 3.14 N ATOM 0 H GLN A 179 24.265 -26.620 -45.379 1.00 24.00 H new ATOM 0 HA GLN A 179 23.114 -26.439 -42.724 1.00 3.32 H new ATOM 0 HB2 GLN A 179 24.318 -24.187 -43.205 1.00 52.52 H new ATOM 0 HB3 GLN A 179 23.096 -23.952 -44.439 1.00 52.52 H new ATOM 0 HG2 GLN A 179 21.356 -23.732 -42.887 1.00 55.30 H new ATOM 0 HG3 GLN A 179 22.167 -24.697 -41.669 1.00 55.30 H new ATOM 0 HE21 GLN A 179 21.127 -21.639 -42.178 1.00 3.14 H new ATOM 0 HE22 GLN A 179 22.358 -20.738 -41.288 1.00 3.14 H new ATOM 96 N ARG A 180 20.794 -26.194 -44.117 1.00 65.05 N ATOM 97 CA ARG A 180 19.600 -26.081 -44.956 1.00 64.25 C ATOM 98 C ARG A 180 18.921 -24.754 -44.656 1.00 43.03 C ATOM 99 O ARG A 180 19.006 -24.265 -43.530 1.00 61.12 O ATOM 100 CB ARG A 180 18.611 -27.231 -44.706 1.00 54.40 C ATOM 101 CG ARG A 180 18.878 -28.457 -45.594 1.00 40.31 C ATOM 102 CD ARG A 180 17.689 -29.431 -45.558 1.00 25.33 C ATOM 103 NE ARG A 180 16.466 -28.838 -46.148 1.00 63.12 N ATOM 104 CZ ARG A 180 15.199 -29.025 -45.759 1.00 4.44 C ATOM 105 NH1 ARG A 180 14.911 -29.862 -44.774 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 14.229 -28.351 -46.366 1.00 74.54 N ATOM 0 H ARG A 180 20.593 -26.128 -43.119 1.00 65.05 H new ATOM 0 HA ARG A 180 19.907 -26.134 -46.001 1.00 64.25 H new ATOM 0 HB2 ARG A 180 18.666 -27.529 -43.659 1.00 54.40 H new ATOM 0 HB3 ARG A 180 17.596 -26.875 -44.883 1.00 54.40 H new ATOM 0 HG2 ARG A 180 19.059 -28.135 -46.620 1.00 40.31 H new ATOM 0 HG3 ARG A 180 19.781 -28.966 -45.256 1.00 40.31 H new ATOM 0 HD2 ARG A 180 17.949 -30.340 -46.100 1.00 25.33 H new ATOM 0 HD3 ARG A 180 17.490 -29.721 -44.526 1.00 25.33 H new ATOM 0 HE ARG A 180 16.606 -28.215 -46.943 1.00 63.12 H new ATOM 0 HH11 ARG A 180 15.658 -30.372 -44.303 1.00 33.41 H new ATOM 0 HH12 ARG A 180 13.942 -29.997 -44.486 1.00 33.41 H new ATOM 0 HH21 ARG A 180 14.454 -27.700 -47.119 1.00 74.54 H new ATOM 0 HH22 ARG A 180 13.259 -28.484 -46.080 1.00 74.54 H new ATOM 120 N LEU A 181 18.193 -24.237 -45.642 1.00 42.44 N ATOM 121 CA LEU A 181 17.435 -22.997 -45.573 1.00 73.23 C ATOM 122 C LEU A 181 16.020 -23.221 -46.105 1.00 71.21 C ATOM 123 O LEU A 181 15.748 -24.270 -46.699 1.00 74.14 O ATOM 124 CB LEU A 181 18.169 -21.854 -46.298 1.00 33.22 C ATOM 125 CG LEU A 181 18.731 -22.026 -47.729 1.00 33.35 C ATOM 126 CD1 LEU A 181 20.114 -22.694 -47.735 1.00 5.21 C ATOM 127 CD2 LEU A 181 17.807 -22.774 -48.700 1.00 70.12 C ATOM 0 H LEU A 181 18.114 -24.694 -46.551 1.00 42.44 H new ATOM 0 HA LEU A 181 17.349 -22.689 -44.531 1.00 73.23 H new ATOM 0 HB2 LEU A 181 17.483 -21.007 -46.328 1.00 33.22 H new ATOM 0 HB3 LEU A 181 19.006 -21.564 -45.663 1.00 33.22 H new ATOM 0 HG LEU A 181 18.813 -21.002 -48.093 1.00 33.35 H new ATOM 0 HD11 LEU A 181 20.466 -22.793 -48.762 1.00 5.21 H new ATOM 0 HD12 LEU A 181 20.816 -22.082 -47.168 1.00 5.21 H new ATOM 0 HD13 LEU A 181 20.043 -23.682 -47.279 1.00 5.21 H new ATOM 0 HD21 LEU A 181 18.286 -22.845 -49.676 1.00 70.12 H new ATOM 0 HD22 LEU A 181 17.612 -23.776 -48.318 1.00 70.12 H new ATOM 0 HD23 LEU A 181 16.866 -22.233 -48.796 1.00 70.12 H new ATOM 139 N GLN A 182 15.135 -22.244 -45.917 1.00 62.31 N ATOM 140 CA GLN A 182 13.703 -22.324 -46.182 1.00 40.10 C ATOM 141 C GLN A 182 13.317 -21.265 -47.217 1.00 63.11 C ATOM 142 O GLN A 182 12.300 -20.588 -47.103 1.00 12.30 O ATOM 143 CB GLN A 182 12.948 -22.151 -44.850 1.00 72.53 C ATOM 144 CG GLN A 182 11.558 -22.792 -44.898 1.00 23.40 C ATOM 145 CD GLN A 182 11.587 -24.325 -44.887 1.00 41.05 C ATOM 146 OE1 GLN A 182 12.631 -24.965 -44.754 1.00 54.13 O ATOM 147 NE2 GLN A 182 10.434 -24.950 -44.998 1.00 22.23 N ATOM 0 H GLN A 182 15.413 -21.331 -45.558 1.00 62.31 H new ATOM 0 HA GLN A 182 13.433 -23.294 -46.599 1.00 40.10 H new ATOM 0 HB2 GLN A 182 13.527 -22.599 -44.043 1.00 72.53 H new ATOM 0 HB3 GLN A 182 12.851 -21.090 -44.622 1.00 72.53 H new ATOM 0 HG2 GLN A 182 10.976 -22.442 -44.045 1.00 23.40 H new ATOM 0 HG3 GLN A 182 11.042 -22.453 -45.796 1.00 23.40 H new ATOM 0 HE21 GLN A 182 9.572 -24.415 -45.108 1.00 22.23 H new ATOM 0 HE22 GLN A 182 10.402 -25.969 -44.974 1.00 22.23 H new ATOM 156 N ASP A 183 14.133 -21.119 -48.258 1.00 20.03 N ATOM 157 CA ASP A 183 14.191 -19.983 -49.162 1.00 43.12 C ATOM 158 C ASP A 183 13.910 -20.468 -50.586 1.00 32.23 C ATOM 159 O ASP A 183 14.496 -20.065 -51.583 1.00 34.24 O ATOM 160 CB ASP A 183 15.560 -19.325 -49.007 1.00 20.31 C ATOM 161 CG ASP A 183 15.639 -18.423 -47.779 1.00 12.13 C ATOM 162 OD1 ASP A 183 14.712 -17.605 -47.568 1.00 23.45 O1- ATOM 163 OD2 ASP A 183 16.595 -18.589 -46.982 1.00 22.45 O ATOM 0 H ASP A 183 14.812 -21.839 -48.505 1.00 20.03 H new ATOM 0 HA ASP A 183 13.435 -19.233 -48.930 1.00 43.12 H new ATOM 0 HB2 ASP A 183 16.325 -20.098 -48.936 1.00 20.31 H new ATOM 0 HB3 ASP A 183 15.781 -18.739 -49.899 1.00 20.31 H new ATOM 168 N THR A 184 13.040 -21.461 -50.632 1.00 51.30 N ATOM 169 CA THR A 184 12.635 -22.260 -51.770 1.00 22.11 C ATOM 170 C THR A 184 11.119 -22.503 -51.723 1.00 53.13 C ATOM 171 O THR A 184 10.577 -23.115 -52.640 1.00 71.31 O ATOM 172 CB THR A 184 13.476 -23.555 -51.777 1.00 3.31 C ATOM 173 OG1 THR A 184 13.167 -24.370 -52.887 1.00 25.41 O ATOM 174 CG2 THR A 184 13.324 -24.402 -50.499 1.00 51.10 C ATOM 0 H THR A 184 12.552 -21.756 -49.786 1.00 51.30 H new ATOM 0 HA THR A 184 12.824 -21.744 -52.711 1.00 22.11 H new ATOM 0 HB THR A 184 14.508 -23.210 -51.834 1.00 3.31 H new ATOM 0 HG1 THR A 184 12.296 -24.109 -53.252 1.00 25.41 H new ATOM 0 HG21 THR A 184 13.944 -25.295 -50.578 1.00 51.10 H new ATOM 0 HG22 THR A 184 13.639 -23.817 -49.635 1.00 51.10 H new ATOM 0 HG23 THR A 184 12.281 -24.695 -50.378 1.00 51.10 H new ATOM 182 N VAL A 185 10.430 -22.024 -50.682 1.00 43.51 N ATOM 183 CA VAL A 185 8.990 -22.188 -50.492 1.00 73.04 C ATOM 184 C VAL A 185 8.263 -20.850 -50.722 1.00 11.42 C ATOM 185 O VAL A 185 7.309 -20.515 -50.018 1.00 54.52 O ATOM 186 CB VAL A 185 8.716 -22.840 -49.120 1.00 23.54 C ATOM 187 CG1 VAL A 185 9.262 -24.277 -49.065 1.00 72.43 C ATOM 188 CG2 VAL A 185 9.290 -22.074 -47.924 1.00 23.12 C ATOM 0 H VAL A 185 10.873 -21.497 -49.929 1.00 43.51 H new ATOM 0 HA VAL A 185 8.580 -22.870 -51.237 1.00 73.04 H new ATOM 0 HB VAL A 185 7.630 -22.826 -49.033 1.00 23.54 H new ATOM 0 HG11 VAL A 185 9.053 -24.708 -48.086 1.00 72.43 H new ATOM 0 HG12 VAL A 185 8.782 -24.879 -49.837 1.00 72.43 H new ATOM 0 HG13 VAL A 185 10.339 -24.264 -49.233 1.00 72.43 H new ATOM 0 HG21 VAL A 185 9.049 -22.605 -47.003 1.00 23.12 H new ATOM 0 HG22 VAL A 185 10.372 -21.997 -48.027 1.00 23.12 H new ATOM 0 HG23 VAL A 185 8.857 -21.074 -47.891 1.00 23.12 H new ATOM 198 N GLY A 186 8.732 -20.058 -51.690 1.00 64.11 N ATOM 199 CA GLY A 186 8.307 -18.684 -51.926 1.00 14.24 C ATOM 200 C GLY A 186 6.933 -18.586 -52.591 1.00 62.45 C ATOM 201 O GLY A 186 6.836 -18.198 -53.758 1.00 21.23 O ATOM 0 H GLY A 186 9.443 -20.371 -52.352 1.00 64.11 H new ATOM 0 HA2 GLY A 186 8.283 -18.149 -50.976 1.00 14.24 H new ATOM 0 HA3 GLY A 186 9.045 -18.185 -52.555 1.00 14.24 H new ATOM 205 N LEU A 187 5.868 -18.906 -51.855 1.00 72.41 N ATOM 206 CA LEU A 187 4.485 -18.683 -52.264 1.00 12.03 C ATOM 207 C LEU A 187 3.893 -17.565 -51.412 1.00 61.21 C ATOM 208 O LEU A 187 4.055 -17.558 -50.190 1.00 12.43 O ATOM 209 CB LEU A 187 3.651 -19.965 -52.158 1.00 63.55 C ATOM 210 CG LEU A 187 4.061 -21.110 -53.101 1.00 32.34 C ATOM 211 CD1 LEU A 187 3.079 -22.274 -52.914 1.00 15.23 C ATOM 212 CD2 LEU A 187 4.063 -20.698 -54.580 1.00 11.21 C ATOM 0 H LEU A 187 5.948 -19.338 -50.935 1.00 72.41 H new ATOM 0 HA LEU A 187 4.467 -18.387 -53.313 1.00 12.03 H new ATOM 0 HB2 LEU A 187 3.705 -20.328 -51.132 1.00 63.55 H new ATOM 0 HB3 LEU A 187 2.608 -19.715 -52.353 1.00 63.55 H new ATOM 0 HG LEU A 187 5.081 -21.396 -52.843 1.00 32.34 H new ATOM 0 HD11 LEU A 187 3.356 -23.094 -53.576 1.00 15.23 H new ATOM 0 HD12 LEU A 187 3.113 -22.616 -51.879 1.00 15.23 H new ATOM 0 HD13 LEU A 187 2.069 -21.940 -53.153 1.00 15.23 H new ATOM 0 HD21 LEU A 187 4.360 -21.548 -55.194 1.00 11.21 H new ATOM 0 HD22 LEU A 187 3.063 -20.374 -54.869 1.00 11.21 H new ATOM 0 HD23 LEU A 187 4.767 -19.879 -54.729 1.00 11.21 H new ATOM 674 N MET A 214 -7.386 -2.386 -12.638 1.00 0.24 N ATOM 675 CA MET A 214 -8.698 -2.942 -12.951 1.00 32.05 C ATOM 676 C MET A 214 -9.309 -3.494 -11.649 1.00 23.33 C ATOM 677 O MET A 214 -9.327 -4.711 -11.449 1.00 53.34 O ATOM 678 CB MET A 214 -8.618 -4.022 -14.062 1.00 13.22 C ATOM 679 CG MET A 214 -8.594 -3.442 -15.481 1.00 41.51 C ATOM 680 SD MET A 214 -9.037 -4.598 -16.811 1.00 21.51 S ATOM 681 CE MET A 214 -10.825 -4.762 -16.541 1.00 63.42 C ATOM 0 HA MET A 214 -9.343 -2.159 -13.351 1.00 32.05 H new ATOM 0 HB2 MET A 214 -7.722 -4.623 -13.909 1.00 13.22 H new ATOM 0 HB3 MET A 214 -9.472 -4.693 -13.967 1.00 13.22 H new ATOM 0 HG2 MET A 214 -9.278 -2.594 -15.519 1.00 41.51 H new ATOM 0 HG3 MET A 214 -7.594 -3.055 -15.679 1.00 41.51 H new ATOM 0 HE1 MET A 214 -11.270 -5.311 -17.371 1.00 63.42 H new ATOM 0 HE2 MET A 214 -11.005 -5.302 -15.611 1.00 63.42 H new ATOM 0 HE3 MET A 214 -11.276 -3.772 -16.478 1.00 63.42 H new ATOM 691 N LEU A 215 -9.729 -2.619 -10.723 1.00 34.21 N ATOM 692 CA LEU A 215 -10.616 -2.933 -9.592 1.00 73.12 C ATOM 693 C LEU A 215 -11.076 -1.629 -8.937 1.00 63.53 C ATOM 694 O LEU A 215 -10.316 -0.665 -8.849 1.00 4.22 O ATOM 695 CB LEU A 215 -9.929 -3.877 -8.577 1.00 11.32 C ATOM 696 CG LEU A 215 -10.665 -4.120 -7.239 1.00 5.51 C ATOM 697 CD1 LEU A 215 -10.483 -5.560 -6.752 1.00 20.01 C ATOM 698 CD2 LEU A 215 -10.146 -3.191 -6.140 1.00 75.40 C ATOM 0 H LEU A 215 -9.450 -1.638 -10.742 1.00 34.21 H new ATOM 0 HA LEU A 215 -11.491 -3.467 -9.962 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -9.777 -4.842 -9.060 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -8.942 -3.473 -8.353 1.00 11.32 H new ATOM 0 HG LEU A 215 -11.719 -3.921 -7.432 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -11.013 -5.695 -5.809 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -10.883 -6.249 -7.496 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -9.422 -5.763 -6.604 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -10.684 -3.388 -5.213 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -9.082 -3.368 -5.986 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -10.302 -2.154 -6.437 1.00 75.40 H new ATOM 710 N GLU A 216 -12.308 -1.641 -8.429 1.00 42.34 N ATOM 711 CA GLU A 216 -12.963 -0.599 -7.634 1.00 21.22 C ATOM 712 C GLU A 216 -14.006 -1.262 -6.702 1.00 61.20 C ATOM 713 O GLU A 216 -15.179 -0.863 -6.672 1.00 11.33 O ATOM 714 CB GLU A 216 -13.696 0.401 -8.543 1.00 25.21 C ATOM 715 CG GLU A 216 -12.928 1.396 -9.406 1.00 54.02 C ATOM 716 CD GLU A 216 -13.944 2.411 -9.947 1.00 1.13 C ATOM 717 OE1 GLU A 216 -14.935 2.000 -10.601 1.00 13.22 O ATOM 718 OE2 GLU A 216 -13.835 3.620 -9.647 1.00 44.35 O1- ATOM 0 H GLU A 216 -12.923 -2.442 -8.573 1.00 42.34 H new ATOM 0 HA GLU A 216 -12.203 -0.070 -7.059 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -14.326 -0.182 -9.215 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -14.362 0.982 -7.905 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -12.158 1.898 -8.820 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -12.423 0.884 -10.225 1.00 54.02 H new ATOM 725 N LYS A 217 -13.646 -2.331 -5.988 1.00 71.23 N ATOM 726 CA LYS A 217 -14.593 -3.124 -5.211 1.00 24.12 C ATOM 727 C LYS A 217 -13.858 -3.718 -4.019 1.00 41.53 C ATOM 728 O LYS A 217 -12.939 -4.513 -4.212 1.00 65.12 O ATOM 729 CB LYS A 217 -15.218 -4.187 -6.132 1.00 63.53 C ATOM 730 CG LYS A 217 -16.254 -5.066 -5.415 1.00 33.31 C ATOM 731 CD LYS A 217 -17.474 -5.401 -6.284 1.00 21.23 C ATOM 732 CE LYS A 217 -17.154 -6.159 -7.580 1.00 11.23 C ATOM 733 NZ LYS A 217 -18.367 -6.388 -8.397 1.00 34.23 N1+ ATOM 0 H LYS A 217 -12.685 -2.670 -5.934 1.00 71.23 H new ATOM 0 HA LYS A 217 -15.411 -2.518 -4.820 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -15.693 -3.692 -6.979 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -14.428 -4.821 -6.535 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -15.776 -5.993 -5.099 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -16.589 -4.556 -4.512 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -18.170 -5.997 -5.694 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -17.986 -4.473 -6.539 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -16.426 -5.594 -8.161 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -16.694 -7.117 -7.337 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -18.110 -6.902 -9.264 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -19.052 -6.949 -7.852 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -18.792 -5.474 -8.651 1.00 34.23 H new ATOM 747 N CYS A 218 -14.247 -3.340 -2.800 1.00 72.34 N ATOM 748 CA CYS A 218 -13.611 -3.744 -1.548 1.00 52.25 C ATOM 749 C CYS A 218 -14.669 -4.357 -0.612 1.00 53.24 C ATOM 750 O CYS A 218 -15.101 -3.688 0.326 1.00 3.44 O ATOM 751 CB CYS A 218 -12.905 -2.508 -0.954 1.00 41.44 C ATOM 752 SG CYS A 218 -12.011 -2.909 0.575 1.00 24.22 S ATOM 0 H CYS A 218 -15.044 -2.721 -2.654 1.00 72.34 H new ATOM 0 HA CYS A 218 -12.857 -4.516 -1.703 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.208 -2.101 -1.686 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -13.642 -1.731 -0.750 1.00 41.44 H new ATOM 0 HG CYS A 218 -10.737 -2.980 0.327 1.00 24.22 H new ATOM 758 N PRO A 219 -15.144 -5.593 -0.855 1.00 2.24 N ATOM 759 CA PRO A 219 -16.244 -6.172 -0.090 1.00 23.03 C ATOM 760 C PRO A 219 -15.846 -6.724 1.289 1.00 53.55 C ATOM 761 O PRO A 219 -16.742 -7.099 2.050 1.00 51.44 O ATOM 762 CB PRO A 219 -16.799 -7.281 -0.991 1.00 13.32 C ATOM 763 CG PRO A 219 -15.563 -7.765 -1.736 1.00 34.20 C ATOM 764 CD PRO A 219 -14.785 -6.471 -1.961 1.00 63.34 C ATOM 0 HA PRO A 219 -16.975 -5.401 0.152 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.260 -8.080 -0.411 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.560 -6.904 -1.674 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -14.992 -8.485 -1.150 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -15.821 -8.252 -2.676 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -13.711 -6.659 -1.978 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -15.045 -6.020 -2.918 1.00 63.34 H new ATOM 772 N PHE A 220 -14.559 -6.831 1.639 1.00 52.33 N ATOM 773 CA PHE A 220 -14.128 -7.288 2.953 1.00 13.33 C ATOM 774 C PHE A 220 -13.729 -6.087 3.815 1.00 31.11 C ATOM 775 O PHE A 220 -13.158 -5.123 3.295 1.00 61.21 O ATOM 776 CB PHE A 220 -12.930 -8.240 2.829 1.00 12.53 C ATOM 777 CG PHE A 220 -13.143 -9.479 1.983 1.00 53.04 C ATOM 778 CD1 PHE A 220 -14.253 -10.323 2.182 1.00 11.32 C ATOM 779 CD2 PHE A 220 -12.168 -9.834 1.038 1.00 43.24 C ATOM 780 CE1 PHE A 220 -14.374 -11.515 1.448 1.00 35.04 C ATOM 781 CE2 PHE A 220 -12.287 -11.020 0.302 1.00 24.41 C ATOM 782 CZ PHE A 220 -13.384 -11.871 0.516 1.00 24.35 C ATOM 0 H PHE A 220 -13.789 -6.601 1.012 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.957 -7.820 3.420 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.091 -7.682 2.414 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.638 -8.555 3.831 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -15.013 -10.053 2.900 1.00 11.32 H new ATOM 0 HD2 PHE A 220 -11.318 -9.187 0.877 1.00 43.24 H new ATOM 0 HE1 PHE A 220 -15.228 -12.158 1.600 1.00 35.04 H new ATOM 0 HE2 PHE A 220 -11.536 -11.280 -0.429 1.00 24.41 H new ATOM 0 HZ PHE A 220 -13.466 -12.797 -0.034 1.00 24.35 H new ATOM 792 N PRO A 221 -13.916 -6.167 5.144 1.00 52.42 N ATOM 793 CA PRO A 221 -13.412 -5.170 6.073 1.00 64.02 C ATOM 794 C PRO A 221 -11.883 -5.135 6.033 1.00 52.52 C ATOM 795 O PRO A 221 -11.221 -6.177 6.036 1.00 61.24 O ATOM 796 CB PRO A 221 -13.933 -5.591 7.451 1.00 3.32 C ATOM 797 CG PRO A 221 -14.086 -7.104 7.326 1.00 31.34 C ATOM 798 CD PRO A 221 -14.512 -7.276 5.867 1.00 13.23 C ATOM 0 HA PRO A 221 -13.747 -4.164 5.822 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -13.235 -5.322 8.244 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.882 -5.109 7.686 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -13.153 -7.625 7.540 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -14.834 -7.494 8.016 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -14.168 -8.231 5.470 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.598 -7.265 5.773 1.00 13.23 H new ATOM 806 N ALA A 222 -11.328 -3.923 6.038 1.00 15.10 N ATOM 807 CA ALA A 222 -9.901 -3.668 6.177 1.00 33.50 C ATOM 808 C ALA A 222 -9.492 -3.962 7.623 1.00 45.31 C ATOM 809 O ALA A 222 -9.393 -3.061 8.451 1.00 5.14 O ATOM 810 CB ALA A 222 -9.601 -2.218 5.768 1.00 54.51 C ATOM 0 H ALA A 222 -11.878 -3.069 5.942 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.319 -4.316 5.522 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -8.533 -2.024 5.871 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -9.899 -2.063 4.731 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -10.157 -1.536 6.411 1.00 54.51 H new ATOM 816 N GLY A 223 -9.314 -5.242 7.936 1.00 72.54 N ATOM 817 CA GLY A 223 -9.011 -5.701 9.280 1.00 54.34 C ATOM 818 C GLY A 223 -8.984 -7.220 9.372 1.00 13.20 C ATOM 819 O GLY A 223 -9.336 -7.770 10.410 1.00 13.51 O ATOM 0 H GLY A 223 -9.378 -5.996 7.252 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -8.045 -5.302 9.590 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -9.755 -5.309 9.973 1.00 54.34 H new ATOM 823 N SER A 224 -8.631 -7.920 8.291 1.00 12.10 N ATOM 824 CA SER A 224 -8.575 -9.371 8.264 1.00 32.34 C ATOM 825 C SER A 224 -7.577 -9.822 7.196 1.00 62.33 C ATOM 826 O SER A 224 -7.241 -9.069 6.280 1.00 52.54 O ATOM 827 CB SER A 224 -9.996 -9.898 8.015 1.00 2.20 C ATOM 828 OG SER A 224 -10.053 -11.311 7.933 1.00 61.34 O ATOM 0 H SER A 224 -8.375 -7.485 7.405 1.00 12.10 H new ATOM 0 HA SER A 224 -8.224 -9.778 9.212 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.650 -9.559 8.819 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.380 -9.470 7.089 1.00 2.20 H new ATOM 0 HG SER A 224 -10.978 -11.592 7.776 1.00 61.34 H new ATOM 834 N ASP A 225 -7.183 -11.091 7.269 1.00 61.25 N ATOM 835 CA ASP A 225 -6.489 -11.838 6.219 1.00 53.22 C ATOM 836 C ASP A 225 -7.337 -11.885 4.941 1.00 11.51 C ATOM 837 O ASP A 225 -6.824 -12.098 3.841 1.00 20.21 O ATOM 838 CB ASP A 225 -6.259 -13.266 6.736 1.00 65.42 C ATOM 839 CG ASP A 225 -5.250 -14.105 5.942 1.00 1.12 C ATOM 840 OD1 ASP A 225 -4.588 -13.597 5.011 1.00 54.24 O1- ATOM 841 OD2 ASP A 225 -5.074 -15.293 6.296 1.00 40.32 O ATOM 0 H ASP A 225 -7.346 -11.656 8.103 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.543 -11.353 5.980 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -5.922 -13.208 7.771 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -7.215 -13.789 6.741 1.00 65.42 H new ATOM 846 N LEU A 226 -8.655 -11.675 5.065 1.00 65.13 N ATOM 847 CA LEU A 226 -9.551 -11.560 3.920 1.00 13.44 C ATOM 848 C LEU A 226 -9.076 -10.413 3.019 1.00 72.23 C ATOM 849 O LEU A 226 -8.947 -10.581 1.804 1.00 44.25 O ATOM 850 CB LEU A 226 -11.002 -11.280 4.363 1.00 21.33 C ATOM 851 CG LEU A 226 -11.732 -12.425 5.090 1.00 42.04 C ATOM 852 CD1 LEU A 226 -13.069 -11.909 5.636 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.997 -13.612 4.158 1.00 31.03 C ATOM 0 H LEU A 226 -9.124 -11.581 5.966 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.533 -12.507 3.380 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -10.997 -10.409 5.018 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.582 -11.012 3.480 1.00 21.33 H new ATOM 0 HG LEU A 226 -11.091 -12.767 5.903 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.588 -12.717 6.151 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -12.886 -11.092 6.334 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.685 -11.550 4.811 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.513 -14.399 4.708 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.617 -13.287 3.322 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -11.050 -13.996 3.779 1.00 31.03 H new ATOM 865 N ALA A 227 -8.797 -9.251 3.625 1.00 33.13 N ATOM 866 CA ALA A 227 -8.333 -8.059 2.927 1.00 31.51 C ATOM 867 C ALA A 227 -6.962 -8.315 2.297 1.00 61.32 C ATOM 868 O ALA A 227 -6.711 -7.888 1.172 1.00 1.22 O ATOM 869 CB ALA A 227 -8.264 -6.869 3.892 1.00 20.11 C ATOM 0 H ALA A 227 -8.891 -9.118 4.632 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.042 -7.821 2.134 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -7.916 -5.986 3.356 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.255 -6.677 4.304 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -7.572 -7.098 4.703 1.00 20.11 H new ATOM 875 N GLN A 228 -6.075 -9.046 2.976 1.00 2.11 N ATOM 876 CA GLN A 228 -4.759 -9.366 2.459 1.00 62.54 C ATOM 877 C GLN A 228 -4.853 -10.177 1.162 1.00 60.13 C ATOM 878 O GLN A 228 -4.109 -9.901 0.218 1.00 43.54 O ATOM 879 CB GLN A 228 -3.954 -10.095 3.542 1.00 74.33 C ATOM 880 CG GLN A 228 -2.470 -10.051 3.179 1.00 13.33 C ATOM 881 CD GLN A 228 -1.585 -10.499 4.334 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.113 -11.635 4.363 1.00 5.12 O ATOM 883 NE2 GLN A 228 -1.352 -9.653 5.321 1.00 5.01 N ATOM 0 H GLN A 228 -6.258 -9.430 3.903 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.236 -8.444 2.204 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -4.118 -9.625 4.512 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -4.289 -11.129 3.628 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -2.289 -10.691 2.315 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -2.198 -9.037 2.887 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -1.746 -8.713 5.291 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -0.778 -9.940 6.114 1.00 5.01 H new ATOM 892 N LYS A 229 -5.757 -11.167 1.090 1.00 14.24 N ATOM 893 CA LYS A 229 -6.030 -11.868 -0.167 1.00 61.11 C ATOM 894 C LYS A 229 -6.583 -10.903 -1.208 1.00 50.14 C ATOM 895 O LYS A 229 -6.083 -10.898 -2.330 1.00 20.33 O ATOM 896 CB LYS A 229 -6.988 -13.059 0.020 1.00 43.15 C ATOM 897 CG LYS A 229 -6.264 -14.412 0.131 1.00 65.30 C ATOM 898 CD LYS A 229 -7.116 -15.550 -0.455 1.00 2.11 C ATOM 899 CE LYS A 229 -6.354 -16.876 -0.545 1.00 22.04 C ATOM 900 NZ LYS A 229 -6.024 -17.452 0.773 1.00 4.21 N1+ ATOM 0 H LYS A 229 -6.306 -11.496 1.884 1.00 14.24 H new ATOM 0 HA LYS A 229 -5.080 -12.271 -0.519 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -7.584 -12.899 0.919 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.681 -13.094 -0.820 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -5.310 -14.361 -0.394 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -6.041 -14.623 1.177 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -8.004 -15.688 0.162 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -7.460 -15.265 -1.449 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -6.952 -17.593 -1.107 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -5.433 -16.720 -1.106 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -5.510 -18.347 0.642 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -5.429 -16.785 1.304 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -6.901 -17.631 1.303 1.00 4.21 H new ATOM 914 N TRP A 230 -7.571 -10.076 -0.857 1.00 13.20 N ATOM 915 CA TRP A 230 -8.183 -9.115 -1.772 1.00 72.33 C ATOM 916 C TRP A 230 -7.133 -8.200 -2.400 1.00 31.00 C ATOM 917 O TRP A 230 -7.249 -7.874 -3.581 1.00 23.12 O ATOM 918 CB TRP A 230 -9.261 -8.306 -1.040 1.00 34.15 C ATOM 919 CG TRP A 230 -9.662 -7.012 -1.678 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.558 -6.870 -2.677 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.194 -5.664 -1.361 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.689 -5.533 -2.979 1.00 24.03 N ATOM 923 CE2 TRP A 230 -9.876 -4.739 -2.200 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.273 -5.130 -0.438 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -9.650 -3.358 -2.134 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.055 -3.741 -0.343 1.00 33.44 C ATOM 927 CH2 TRP A 230 -8.747 -2.853 -1.184 1.00 4.35 C ATOM 0 H TRP A 230 -7.971 -10.056 0.081 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.656 -9.665 -2.585 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -10.150 -8.929 -0.941 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.906 -8.095 -0.031 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -11.088 -7.676 -3.162 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.316 -5.172 -3.697 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.724 -5.798 0.209 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -10.165 -2.688 -2.807 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -7.352 -3.357 0.381 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -8.585 -1.788 -1.100 1.00 4.35 H new ATOM 938 N HIS A 231 -6.090 -7.826 -1.657 1.00 41.52 N ATOM 939 CA HIS A 231 -4.987 -6.999 -2.135 1.00 44.11 C ATOM 940 C HIS A 231 -4.288 -7.592 -3.370 1.00 62.42 C ATOM 941 O HIS A 231 -3.631 -6.851 -4.102 1.00 2.10 O ATOM 942 CB HIS A 231 -3.977 -6.800 -0.987 1.00 73.30 C ATOM 943 CG HIS A 231 -3.662 -5.355 -0.719 1.00 1.23 C ATOM 944 ND1 HIS A 231 -2.515 -4.685 -1.075 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.467 -4.475 -0.054 1.00 54.44 C ATOM 946 CE1 HIS A 231 -2.617 -3.423 -0.631 1.00 44.02 C ATOM 947 NE2 HIS A 231 -3.801 -3.246 -0.018 1.00 72.12 N ATOM 0 H HIS A 231 -5.989 -8.099 -0.679 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.399 -6.040 -2.449 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -4.375 -7.253 -0.079 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -3.054 -7.328 -1.228 1.00 73.30 H new ATOM 0 HD2 HIS A 231 -5.439 -4.689 0.366 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -1.860 -2.662 -0.748 1.00 44.02 H new ATOM 0 HE2 HIS A 231 -4.147 -2.380 0.395 1.00 72.12 H new ATOM 955 N LEU A 232 -4.418 -8.903 -3.611 1.00 43.21 N ATOM 956 CA LEU A 232 -3.872 -9.589 -4.785 1.00 54.14 C ATOM 957 C LEU A 232 -4.836 -9.532 -5.973 1.00 63.01 C ATOM 958 O LEU A 232 -4.383 -9.476 -7.114 1.00 33.14 O ATOM 959 CB LEU A 232 -3.554 -11.036 -4.384 1.00 63.34 C ATOM 960 CG LEU A 232 -2.784 -11.868 -5.429 1.00 62.14 C ATOM 961 CD1 LEU A 232 -1.893 -12.884 -4.708 1.00 23.25 C ATOM 962 CD2 LEU A 232 -3.705 -12.657 -6.370 1.00 64.32 C ATOM 0 H LEU A 232 -4.918 -9.529 -2.979 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.961 -9.088 -5.113 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -2.973 -11.018 -3.462 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.491 -11.546 -4.161 1.00 63.34 H new ATOM 0 HG LEU A 232 -2.209 -11.159 -6.024 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.346 -13.475 -5.443 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -1.186 -12.357 -4.067 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -2.512 -13.544 -4.100 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -3.102 -13.221 -7.081 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -4.317 -13.345 -5.787 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -4.351 -11.966 -6.911 1.00 64.32 H new ATOM 974 N ILE A 233 -6.148 -9.515 -5.706 1.00 20.31 N ATOM 975 CA ILE A 233 -7.248 -9.521 -6.683 1.00 12.23 C ATOM 976 C ILE A 233 -7.381 -8.145 -7.376 1.00 33.40 C ATOM 977 O ILE A 233 -8.214 -7.958 -8.265 1.00 73.01 O ATOM 978 CB ILE A 233 -8.570 -9.989 -5.990 1.00 31.24 C ATOM 979 CG1 ILE A 233 -8.340 -11.257 -5.124 1.00 41.21 C ATOM 980 CG2 ILE A 233 -9.704 -10.275 -7.001 1.00 11.11 C ATOM 981 CD1 ILE A 233 -9.564 -11.784 -4.364 1.00 1.50 C ATOM 0 H ILE A 233 -6.492 -9.496 -4.746 1.00 20.31 H new ATOM 0 HA ILE A 233 -7.027 -10.236 -7.475 1.00 12.23 H new ATOM 0 HB ILE A 233 -8.877 -9.159 -5.353 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -7.969 -12.052 -5.771 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -7.553 -11.041 -4.401 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -10.597 -10.596 -6.465 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -9.926 -9.369 -7.565 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -9.390 -11.062 -7.687 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -9.285 -12.670 -3.795 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -9.928 -11.015 -3.683 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -10.350 -12.042 -5.074 1.00 1.50 H new ATOM 993 N LYS A 234 -6.565 -7.153 -7.000 1.00 35.12 N ATOM 994 CA LYS A 234 -6.469 -5.905 -7.749 1.00 65.43 C ATOM 995 C LYS A 234 -6.083 -6.217 -9.198 1.00 71.04 C ATOM 996 O LYS A 234 -5.362 -7.180 -9.440 1.00 11.24 O ATOM 997 CB LYS A 234 -5.479 -4.948 -7.073 1.00 41.01 C ATOM 998 CG LYS A 234 -4.021 -5.434 -7.090 1.00 40.11 C ATOM 999 CD LYS A 234 -3.122 -4.422 -6.370 1.00 52.01 C ATOM 1000 CE LYS A 234 -2.746 -3.248 -7.286 1.00 24.13 C ATOM 1001 NZ LYS A 234 -1.640 -3.581 -8.199 1.00 64.53 N1+ ATOM 0 H LYS A 234 -5.962 -7.196 -6.178 1.00 35.12 H new ATOM 0 HA LYS A 234 -7.435 -5.399 -7.758 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -5.533 -3.978 -7.568 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -5.787 -4.795 -6.039 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -3.948 -6.407 -6.605 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -3.685 -5.564 -8.119 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -3.634 -4.044 -5.485 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -2.216 -4.920 -6.025 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -3.618 -2.952 -7.869 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -2.464 -2.390 -6.676 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -1.423 -2.758 -8.796 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -0.798 -3.838 -7.645 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -1.916 -4.382 -8.801 1.00 64.53 H new ATOM 1015 N GLN A 235 -6.507 -5.360 -10.131 1.00 72.02 N ATOM 1016 CA GLN A 235 -6.210 -5.466 -11.554 1.00 11.35 C ATOM 1017 C GLN A 235 -6.527 -6.873 -12.082 1.00 33.24 C ATOM 1018 O GLN A 235 -5.640 -7.618 -12.495 1.00 30.21 O ATOM 1019 CB GLN A 235 -4.762 -5.019 -11.785 1.00 22.32 C ATOM 1020 CG GLN A 235 -4.388 -4.742 -13.249 1.00 50.13 C ATOM 1021 CD GLN A 235 -2.879 -4.473 -13.379 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -2.157 -4.402 -12.383 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -2.350 -4.317 -14.580 1.00 43.20 N ATOM 0 H GLN A 235 -7.084 -4.550 -9.905 1.00 72.02 H new ATOM 0 HA GLN A 235 -6.852 -4.803 -12.133 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -4.581 -4.115 -11.203 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -4.095 -5.788 -11.396 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -4.666 -5.594 -13.869 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -4.949 -3.883 -13.618 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -2.941 -4.374 -15.409 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -1.350 -4.139 -14.678 1.00 43.20 H new