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=-6.7e-05 X(o=-6.7e-05,f=0) USER MOD Single : A 182 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 CYS SG : rot 96:sc= 0.00901 USER MOD Single : A 224 SER OG : rot -9:sc= 0.582 USER MOD Single : A 228 GLN : amide:sc=-0.00565 X(o=-0.0057,f=-0.0053) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 231 HIS : no HE2:sc= 1.26 K(o=1.3,f=-3.8!) USER MOD Single : A 234 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 235 GLN : amide:sc= -0.0648 X(o=-0.065,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 177 -23.861 -23.353 -71.087 1.00 42.40 N ATOM 37 CA LEU A 177 -22.593 -23.008 -70.453 1.00 14.14 C ATOM 38 C LEU A 177 -22.831 -21.940 -69.378 1.00 25.25 C ATOM 39 O LEU A 177 -23.955 -21.463 -69.233 1.00 72.32 O ATOM 40 CB LEU A 177 -21.538 -22.586 -71.508 1.00 62.05 C ATOM 41 CG LEU A 177 -21.863 -21.515 -72.581 1.00 74.24 C ATOM 42 CD1 LEU A 177 -22.595 -22.094 -73.799 1.00 32.31 C ATOM 43 CD2 LEU A 177 -22.633 -20.292 -72.071 1.00 21.13 C ATOM 0 HA LEU A 177 -22.181 -23.886 -69.956 1.00 14.14 H new ATOM 0 HB2 LEU A 177 -20.663 -22.234 -70.961 1.00 62.05 H new ATOM 0 HB3 LEU A 177 -21.239 -23.490 -72.040 1.00 62.05 H new ATOM 0 HG LEU A 177 -20.873 -21.168 -72.878 1.00 74.24 H new ATOM 0 HD11 LEU A 177 -22.796 -21.297 -74.515 1.00 32.31 H new ATOM 0 HD12 LEU A 177 -21.973 -22.856 -74.269 1.00 32.31 H new ATOM 0 HD13 LEU A 177 -23.537 -22.540 -73.479 1.00 32.31 H new ATOM 0 HD21 LEU A 177 -22.811 -19.603 -72.897 1.00 21.13 H new ATOM 0 HD22 LEU A 177 -23.588 -20.611 -71.653 1.00 21.13 H new ATOM 0 HD23 LEU A 177 -22.049 -19.790 -71.300 1.00 21.13 H new ATOM 55 N ARG A 178 -21.775 -21.568 -68.637 1.00 24.30 N ATOM 56 CA ARG A 178 -21.759 -20.522 -67.594 1.00 3.45 C ATOM 57 C ARG A 178 -22.966 -20.614 -66.646 1.00 25.42 C ATOM 58 O ARG A 178 -23.679 -19.631 -66.429 1.00 34.30 O ATOM 59 CB ARG A 178 -21.601 -19.119 -68.206 1.00 73.44 C ATOM 60 CG ARG A 178 -20.285 -18.925 -68.981 1.00 23.23 C ATOM 61 CD ARG A 178 -20.116 -17.472 -69.451 1.00 61.32 C ATOM 62 NE ARG A 178 -19.804 -16.559 -68.332 1.00 43.12 N ATOM 63 CZ ARG A 178 -18.592 -16.117 -67.958 1.00 4.41 C ATOM 64 NH1 ARG A 178 -17.499 -16.457 -68.642 1.00 33.23 N1+ ATOM 65 NH2 ARG A 178 -18.476 -15.332 -66.889 1.00 63.23 N ATOM 0 H ARG A 178 -20.862 -22.009 -68.752 1.00 24.30 H new ATOM 0 HA ARG A 178 -20.880 -20.704 -66.976 1.00 3.45 H new ATOM 0 HB2 ARG A 178 -22.439 -18.929 -68.877 1.00 73.44 H new ATOM 0 HB3 ARG A 178 -21.656 -18.377 -67.410 1.00 73.44 H new ATOM 0 HG2 ARG A 178 -19.444 -19.203 -68.346 1.00 23.23 H new ATOM 0 HG3 ARG A 178 -20.268 -19.592 -69.843 1.00 23.23 H new ATOM 0 HD2 ARG A 178 -19.319 -17.422 -70.193 1.00 61.32 H new ATOM 0 HD3 ARG A 178 -21.031 -17.142 -69.943 1.00 61.32 H new ATOM 0 HE ARG A 178 -20.597 -16.228 -67.783 1.00 43.12 H new ATOM 0 HH11 ARG A 178 -17.577 -17.060 -69.461 1.00 33.23 H new ATOM 0 HH12 ARG A 178 -16.585 -16.114 -68.346 1.00 33.23 H new ATOM 0 HH21 ARG A 178 -19.306 -15.068 -66.357 1.00 63.23 H new ATOM 0 HH22 ARG A 178 -17.557 -14.994 -66.602 1.00 63.23 H new ATOM 79 N GLN A 179 -23.189 -21.795 -66.071 1.00 24.00 N ATOM 80 CA GLN A 179 -24.227 -21.994 -65.076 1.00 3.32 C ATOM 81 C GLN A 179 -23.805 -21.307 -63.771 1.00 35.51 C ATOM 82 O GLN A 179 -23.137 -21.921 -62.945 1.00 2.32 O ATOM 83 CB GLN A 179 -24.507 -23.496 -64.875 1.00 52.52 C ATOM 84 CG GLN A 179 -24.995 -24.172 -66.167 1.00 55.30 C ATOM 85 CD GLN A 179 -25.521 -25.593 -65.962 1.00 71.53 C ATOM 86 OE1 GLN A 179 -26.528 -25.965 -66.546 1.00 14.25 O ATOM 87 NE2 GLN A 179 -24.866 -26.420 -65.160 1.00 3.14 N ATOM 0 H GLN A 179 -22.653 -22.636 -66.285 1.00 24.00 H new ATOM 0 HA GLN A 179 -25.160 -21.544 -65.417 1.00 3.32 H new ATOM 0 HB2 GLN A 179 -23.599 -23.990 -64.528 1.00 52.52 H new ATOM 0 HB3 GLN A 179 -25.257 -23.623 -64.094 1.00 52.52 H new ATOM 0 HG2 GLN A 179 -25.784 -23.563 -66.608 1.00 55.30 H new ATOM 0 HG3 GLN A 179 -24.174 -24.199 -66.884 1.00 55.30 H new ATOM 0 HE21 GLN A 179 -24.026 -26.103 -64.676 1.00 3.14 H new ATOM 0 HE22 GLN A 179 -25.202 -27.374 -65.027 1.00 3.14 H new ATOM 96 N ARG A 180 -24.236 -20.054 -63.577 1.00 65.05 N ATOM 97 CA ARG A 180 -23.983 -19.216 -62.396 1.00 64.25 C ATOM 98 C ARG A 180 -22.518 -18.752 -62.334 1.00 43.03 C ATOM 99 O ARG A 180 -21.725 -19.028 -63.233 1.00 61.12 O ATOM 100 CB ARG A 180 -24.436 -19.933 -61.093 1.00 54.40 C ATOM 101 CG ARG A 180 -25.466 -19.168 -60.249 1.00 40.31 C ATOM 102 CD ARG A 180 -26.837 -19.096 -60.945 1.00 25.33 C ATOM 103 NE ARG A 180 -27.955 -19.043 -59.982 1.00 63.12 N ATOM 104 CZ ARG A 180 -28.390 -17.985 -59.283 1.00 4.44 C ATOM 105 NH1 ARG A 180 -27.797 -16.797 -59.403 1.00 33.41 N1+ ATOM 106 NH2 ARG A 180 -29.427 -18.124 -58.458 1.00 74.54 N ATOM 0 H ARG A 180 -24.800 -19.571 -64.276 1.00 65.05 H new ATOM 0 HA ARG A 180 -24.588 -18.314 -62.489 1.00 64.25 H new ATOM 0 HB2 ARG A 180 -24.856 -20.903 -61.359 1.00 54.40 H new ATOM 0 HB3 ARG A 180 -23.557 -20.124 -60.478 1.00 54.40 H new ATOM 0 HG2 ARG A 180 -25.576 -19.655 -59.280 1.00 40.31 H new ATOM 0 HG3 ARG A 180 -25.102 -18.158 -60.059 1.00 40.31 H new ATOM 0 HD2 ARG A 180 -26.871 -18.215 -61.585 1.00 25.33 H new ATOM 0 HD3 ARG A 180 -26.959 -19.965 -61.592 1.00 25.33 H new ATOM 0 HE ARG A 180 -28.457 -19.918 -59.830 1.00 63.12 H new ATOM 0 HH11 ARG A 180 -27.002 -16.685 -60.033 1.00 33.41 H new ATOM 0 HH12 ARG A 180 -28.138 -16.000 -58.865 1.00 33.41 H new ATOM 0 HH21 ARG A 180 -29.884 -19.031 -58.362 1.00 74.54 H new ATOM 0 HH22 ARG A 180 -29.764 -17.324 -57.923 1.00 74.54 H new ATOM 120 N LEU A 181 -22.225 -17.951 -61.307 1.00 42.44 N ATOM 121 CA LEU A 181 -20.940 -17.413 -60.872 1.00 73.23 C ATOM 122 C LEU A 181 -21.265 -16.870 -59.477 1.00 71.21 C ATOM 123 O LEU A 181 -22.210 -16.085 -59.367 1.00 74.14 O ATOM 124 CB LEU A 181 -20.481 -16.297 -61.837 1.00 33.22 C ATOM 125 CG LEU A 181 -19.032 -15.800 -61.644 1.00 33.35 C ATOM 126 CD1 LEU A 181 -18.648 -14.942 -62.862 1.00 5.21 C ATOM 127 CD2 LEU A 181 -18.823 -14.946 -60.387 1.00 70.12 C ATOM 0 H LEU A 181 -22.972 -17.629 -60.691 1.00 42.44 H new ATOM 0 HA LEU A 181 -20.126 -18.138 -60.860 1.00 73.23 H new ATOM 0 HB2 LEU A 181 -20.588 -16.659 -62.859 1.00 33.22 H new ATOM 0 HB3 LEU A 181 -21.155 -15.447 -61.727 1.00 33.22 H new ATOM 0 HG LEU A 181 -18.412 -16.690 -61.535 1.00 33.35 H new ATOM 0 HD11 LEU A 181 -17.626 -14.581 -62.745 1.00 5.21 H new ATOM 0 HD12 LEU A 181 -18.718 -15.544 -63.768 1.00 5.21 H new ATOM 0 HD13 LEU A 181 -19.327 -14.093 -62.937 1.00 5.21 H new ATOM 0 HD21 LEU A 181 -17.779 -14.638 -60.326 1.00 70.12 H new ATOM 0 HD22 LEU A 181 -19.460 -14.063 -60.437 1.00 70.12 H new ATOM 0 HD23 LEU A 181 -19.081 -15.530 -59.503 1.00 70.12 H new ATOM 139 N GLN A 182 -20.593 -17.323 -58.418 1.00 62.31 N ATOM 140 CA GLN A 182 -20.721 -16.782 -57.064 1.00 40.10 C ATOM 141 C GLN A 182 -19.417 -17.086 -56.318 1.00 63.11 C ATOM 142 O GLN A 182 -19.364 -17.898 -55.396 1.00 12.30 O ATOM 143 CB GLN A 182 -21.994 -17.302 -56.359 1.00 72.53 C ATOM 144 CG GLN A 182 -22.197 -16.665 -54.970 1.00 23.40 C ATOM 145 CD GLN A 182 -23.674 -16.474 -54.624 1.00 41.05 C ATOM 146 OE1 GLN A 182 -24.314 -15.529 -55.081 1.00 54.13 O ATOM 147 NE2 GLN A 182 -24.256 -17.328 -53.798 1.00 22.23 N ATOM 0 H GLN A 182 -19.929 -18.095 -58.479 1.00 62.31 H new ATOM 0 HA GLN A 182 -20.858 -15.701 -57.085 1.00 40.10 H new ATOM 0 HB2 GLN A 182 -22.863 -17.092 -56.983 1.00 72.53 H new ATOM 0 HB3 GLN A 182 -21.931 -18.385 -56.254 1.00 72.53 H new ATOM 0 HG2 GLN A 182 -21.728 -17.294 -54.213 1.00 23.40 H new ATOM 0 HG3 GLN A 182 -21.692 -15.699 -54.939 1.00 23.40 H new ATOM 0 HE21 GLN A 182 -23.726 -18.112 -53.418 1.00 22.23 H new ATOM 0 HE22 GLN A 182 -25.235 -17.202 -53.541 1.00 22.23 H new ATOM 156 N ASP A 183 -18.355 -16.402 -56.736 1.00 20.03 N ATOM 157 CA ASP A 183 -16.955 -16.780 -56.541 1.00 43.12 C ATOM 158 C ASP A 183 -16.184 -15.676 -55.810 1.00 32.23 C ATOM 159 O ASP A 183 -14.965 -15.694 -55.682 1.00 34.24 O ATOM 160 CB ASP A 183 -16.362 -17.026 -57.930 1.00 20.31 C ATOM 161 CG ASP A 183 -16.979 -18.262 -58.588 1.00 12.13 C ATOM 162 OD1 ASP A 183 -16.427 -19.364 -58.365 1.00 22.45 O ATOM 163 OD2 ASP A 183 -18.027 -18.092 -59.245 1.00 23.45 O1- ATOM 0 H ASP A 183 -18.451 -15.524 -57.246 1.00 20.03 H new ATOM 0 HA ASP A 183 -16.883 -17.675 -55.924 1.00 43.12 H new ATOM 0 HB2 ASP A 183 -16.532 -16.153 -58.560 1.00 20.31 H new ATOM 0 HB3 ASP A 183 -15.283 -17.155 -57.849 1.00 20.31 H new ATOM 168 N THR A 184 -16.928 -14.674 -55.361 1.00 51.30 N ATOM 169 CA THR A 184 -16.491 -13.457 -54.698 1.00 22.11 C ATOM 170 C THR A 184 -16.880 -13.498 -53.208 1.00 53.13 C ATOM 171 O THR A 184 -16.497 -12.618 -52.440 1.00 71.31 O ATOM 172 CB THR A 184 -17.047 -12.255 -55.512 1.00 3.31 C ATOM 173 OG1 THR A 184 -17.024 -11.023 -54.826 1.00 25.41 O ATOM 174 CG2 THR A 184 -18.505 -12.432 -55.976 1.00 51.10 C ATOM 0 H THR A 184 -17.943 -14.696 -55.462 1.00 51.30 H new ATOM 0 HA THR A 184 -15.406 -13.349 -54.683 1.00 22.11 H new ATOM 0 HB THR A 184 -16.362 -12.238 -56.360 1.00 3.31 H new ATOM 0 HG1 THR A 184 -17.387 -10.320 -55.404 1.00 25.41 H new ATOM 0 HG21 THR A 184 -18.818 -11.551 -56.537 1.00 51.10 H new ATOM 0 HG22 THR A 184 -18.580 -13.313 -56.613 1.00 51.10 H new ATOM 0 HG23 THR A 184 -19.151 -12.557 -55.107 1.00 51.10 H new ATOM 182 N VAL A 185 -17.626 -14.520 -52.772 1.00 43.51 N ATOM 183 CA VAL A 185 -18.153 -14.607 -51.406 1.00 73.04 C ATOM 184 C VAL A 185 -17.165 -15.197 -50.393 1.00 11.42 C ATOM 185 O VAL A 185 -17.479 -15.296 -49.207 1.00 54.52 O ATOM 186 CB VAL A 185 -19.524 -15.320 -51.401 1.00 23.54 C ATOM 187 CG1 VAL A 185 -20.581 -14.480 -52.136 1.00 72.43 C ATOM 188 CG2 VAL A 185 -19.473 -16.719 -52.033 1.00 23.12 C ATOM 0 H VAL A 185 -17.882 -15.313 -53.360 1.00 43.51 H new ATOM 0 HA VAL A 185 -18.304 -13.585 -51.059 1.00 73.04 H new ATOM 0 HB VAL A 185 -19.798 -15.434 -50.352 1.00 23.54 H new ATOM 0 HG11 VAL A 185 -21.537 -15.003 -52.119 1.00 72.43 H new ATOM 0 HG12 VAL A 185 -20.686 -13.514 -51.642 1.00 72.43 H new ATOM 0 HG13 VAL A 185 -20.270 -14.327 -53.169 1.00 72.43 H new ATOM 0 HG21 VAL A 185 -20.465 -17.169 -52.000 1.00 23.12 H new ATOM 0 HG22 VAL A 185 -19.145 -16.638 -53.069 1.00 23.12 H new ATOM 0 HG23 VAL A 185 -18.773 -17.343 -51.478 1.00 23.12 H new ATOM 198 N GLY A 186 -15.970 -15.567 -50.838 1.00 64.11 N ATOM 199 CA GLY A 186 -14.945 -16.208 -50.026 1.00 14.24 C ATOM 200 C GLY A 186 -14.216 -17.276 -50.828 1.00 62.45 C ATOM 201 O GLY A 186 -14.286 -17.276 -52.056 1.00 21.23 O ATOM 0 H GLY A 186 -15.679 -15.424 -51.805 1.00 64.11 H new ATOM 0 HA2 GLY A 186 -14.233 -15.461 -49.673 1.00 14.24 H new ATOM 0 HA3 GLY A 186 -15.401 -16.656 -49.143 1.00 14.24 H new ATOM 205 N LEU A 187 -13.486 -18.161 -50.141 1.00 72.41 N ATOM 206 CA LEU A 187 -12.852 -19.335 -50.748 1.00 12.03 C ATOM 207 C LEU A 187 -12.716 -20.493 -49.742 1.00 61.21 C ATOM 208 O LEU A 187 -11.785 -21.293 -49.849 1.00 12.43 O ATOM 209 CB LEU A 187 -11.498 -18.957 -51.374 1.00 63.55 C ATOM 210 CG LEU A 187 -11.203 -19.878 -52.579 1.00 32.34 C ATOM 211 CD1 LEU A 187 -11.770 -19.296 -53.880 1.00 15.23 C ATOM 212 CD2 LEU A 187 -9.701 -20.084 -52.739 1.00 11.21 C ATOM 0 H LEU A 187 -13.317 -18.081 -49.138 1.00 72.41 H new ATOM 0 HA LEU A 187 -13.501 -19.692 -51.548 1.00 12.03 H new ATOM 0 HB2 LEU A 187 -11.514 -17.916 -51.696 1.00 63.55 H new ATOM 0 HB3 LEU A 187 -10.705 -19.049 -50.632 1.00 63.55 H new ATOM 0 HG LEU A 187 -11.686 -20.835 -52.382 1.00 32.34 H new ATOM 0 HD11 LEU A 187 -11.545 -19.968 -54.708 1.00 15.23 H new ATOM 0 HD12 LEU A 187 -12.850 -19.183 -53.788 1.00 15.23 H new ATOM 0 HD13 LEU A 187 -11.318 -18.322 -54.070 1.00 15.23 H new ATOM 0 HD21 LEU A 187 -9.512 -20.735 -53.592 1.00 11.21 H new ATOM 0 HD22 LEU A 187 -9.217 -19.121 -52.903 1.00 11.21 H new ATOM 0 HD23 LEU A 187 -9.299 -20.543 -51.836 1.00 11.21 H new ATOM 674 N MET A 214 -11.187 -1.454 -9.078 1.00 0.24 N ATOM 675 CA MET A 214 -11.401 -2.013 -7.731 1.00 32.05 C ATOM 676 C MET A 214 -12.579 -1.442 -6.913 1.00 23.33 C ATOM 677 O MET A 214 -12.804 -1.893 -5.790 1.00 53.34 O ATOM 678 CB MET A 214 -10.084 -2.059 -6.927 1.00 13.22 C ATOM 679 CG MET A 214 -9.506 -0.685 -6.578 1.00 41.51 C ATOM 680 SD MET A 214 -8.064 -0.722 -5.487 1.00 21.51 S ATOM 681 CE MET A 214 -8.355 0.858 -4.652 1.00 63.42 C ATOM 0 HA MET A 214 -11.734 -3.032 -7.925 1.00 32.05 H new ATOM 0 HB2 MET A 214 -10.256 -2.612 -6.004 1.00 13.22 H new ATOM 0 HB3 MET A 214 -9.343 -2.616 -7.499 1.00 13.22 H new ATOM 0 HG2 MET A 214 -9.231 -0.177 -7.502 1.00 41.51 H new ATOM 0 HG3 MET A 214 -10.286 -0.088 -6.106 1.00 41.51 H new ATOM 0 HE1 MET A 214 -7.565 1.035 -3.922 1.00 63.42 H new ATOM 0 HE2 MET A 214 -8.357 1.663 -5.387 1.00 63.42 H new ATOM 0 HE3 MET A 214 -9.319 0.829 -4.144 1.00 63.42 H new ATOM 691 N LEU A 215 -13.341 -0.494 -7.467 1.00 34.21 N ATOM 692 CA LEU A 215 -14.253 0.396 -6.758 1.00 73.12 C ATOM 693 C LEU A 215 -15.194 -0.341 -5.817 1.00 63.53 C ATOM 694 O LEU A 215 -15.109 -0.162 -4.608 1.00 4.22 O ATOM 695 CB LEU A 215 -15.020 1.267 -7.767 1.00 11.32 C ATOM 696 CG LEU A 215 -15.896 2.342 -7.080 1.00 5.51 C ATOM 697 CD1 LEU A 215 -15.921 3.579 -7.988 1.00 20.01 C ATOM 698 CD2 LEU A 215 -17.347 1.924 -6.814 1.00 75.40 C ATOM 0 H LEU A 215 -13.335 -0.321 -8.472 1.00 34.21 H new ATOM 0 HA LEU A 215 -13.652 1.042 -6.118 1.00 73.12 H new ATOM 0 HB2 LEU A 215 -14.309 1.755 -8.434 1.00 11.32 H new ATOM 0 HB3 LEU A 215 -15.652 0.629 -8.385 1.00 11.32 H new ATOM 0 HG LEU A 215 -15.447 2.525 -6.104 1.00 5.51 H new ATOM 0 HD11 LEU A 215 -16.533 4.355 -7.528 1.00 20.01 H new ATOM 0 HD12 LEU A 215 -14.905 3.950 -8.125 1.00 20.01 H new ATOM 0 HD13 LEU A 215 -16.343 3.311 -8.957 1.00 20.01 H new ATOM 0 HD21 LEU A 215 -17.879 2.743 -6.331 1.00 75.40 H new ATOM 0 HD22 LEU A 215 -17.835 1.682 -7.758 1.00 75.40 H new ATOM 0 HD23 LEU A 215 -17.360 1.049 -6.164 1.00 75.40 H new ATOM 710 N GLU A 216 -16.119 -1.130 -6.355 1.00 42.34 N ATOM 711 CA GLU A 216 -17.229 -1.656 -5.565 1.00 21.22 C ATOM 712 C GLU A 216 -16.860 -2.986 -4.889 1.00 61.20 C ATOM 713 O GLU A 216 -17.749 -3.774 -4.540 1.00 11.33 O ATOM 714 CB GLU A 216 -18.493 -1.766 -6.442 1.00 25.21 C ATOM 715 CG GLU A 216 -18.413 -2.839 -7.542 1.00 54.02 C ATOM 716 CD GLU A 216 -19.637 -2.812 -8.468 1.00 1.13 C ATOM 717 OE1 GLU A 216 -20.777 -3.049 -8.005 1.00 13.22 O ATOM 718 OE2 GLU A 216 -19.460 -2.555 -9.687 1.00 44.35 O1- ATOM 0 H GLU A 216 -16.123 -1.419 -7.333 1.00 42.34 H new ATOM 0 HA GLU A 216 -17.447 -0.959 -4.756 1.00 21.22 H new ATOM 0 HB2 GLU A 216 -19.347 -1.984 -5.801 1.00 25.21 H new ATOM 0 HB3 GLU A 216 -18.682 -0.799 -6.908 1.00 25.21 H new ATOM 0 HG2 GLU A 216 -17.510 -2.685 -8.132 1.00 54.02 H new ATOM 0 HG3 GLU A 216 -18.329 -3.823 -7.082 1.00 54.02 H new ATOM 725 N LYS A 217 -15.558 -3.297 -4.804 1.00 71.23 N ATOM 726 CA LYS A 217 -15.047 -4.661 -4.692 1.00 24.12 C ATOM 727 C LYS A 217 -14.247 -4.946 -3.450 1.00 41.53 C ATOM 728 O LYS A 217 -13.507 -5.929 -3.423 1.00 65.12 O ATOM 729 CB LYS A 217 -14.325 -5.052 -5.988 1.00 63.53 C ATOM 730 CG LYS A 217 -15.338 -5.218 -7.127 1.00 33.31 C ATOM 731 CD LYS A 217 -15.106 -6.514 -7.896 1.00 21.23 C ATOM 732 CE LYS A 217 -15.421 -7.738 -7.029 1.00 11.23 C ATOM 733 NZ LYS A 217 -15.436 -8.977 -7.821 1.00 34.23 N1+ ATOM 0 H LYS A 217 -14.822 -2.591 -4.812 1.00 71.23 H new ATOM 0 HA LYS A 217 -15.913 -5.311 -4.565 1.00 24.12 H new ATOM 0 HB2 LYS A 217 -13.593 -4.288 -6.250 1.00 63.53 H new ATOM 0 HB3 LYS A 217 -13.776 -5.982 -5.841 1.00 63.53 H new ATOM 0 HG2 LYS A 217 -16.349 -5.211 -6.720 1.00 33.31 H new ATOM 0 HG3 LYS A 217 -15.263 -4.371 -7.809 1.00 33.31 H new ATOM 0 HD2 LYS A 217 -15.731 -6.527 -8.789 1.00 21.23 H new ATOM 0 HD3 LYS A 217 -14.070 -6.560 -8.232 1.00 21.23 H new ATOM 0 HE2 LYS A 217 -14.679 -7.822 -6.235 1.00 11.23 H new ATOM 0 HE3 LYS A 217 -16.389 -7.603 -6.547 1.00 11.23 H new ATOM 0 HZ1 LYS A 217 -15.652 -9.783 -7.201 1.00 34.23 H new ATOM 0 HZ2 LYS A 217 -16.162 -8.906 -8.563 1.00 34.23 H new ATOM 0 HZ3 LYS A 217 -14.504 -9.119 -8.261 1.00 34.23 H new ATOM 747 N CYS A 218 -14.490 -4.185 -2.401 1.00 72.34 N ATOM 748 CA CYS A 218 -13.831 -4.281 -1.120 1.00 52.25 C ATOM 749 C CYS A 218 -14.851 -4.769 -0.075 1.00 53.24 C ATOM 750 O CYS A 218 -15.319 -3.979 0.746 1.00 3.44 O ATOM 751 CB CYS A 218 -13.264 -2.883 -0.883 1.00 41.44 C ATOM 752 SG CYS A 218 -11.937 -2.879 0.351 1.00 24.22 S ATOM 0 H CYS A 218 -15.191 -3.444 -2.424 1.00 72.34 H new ATOM 0 HA CYS A 218 -13.018 -5.004 -1.062 1.00 52.25 H new ATOM 0 HB2 CYS A 218 -12.884 -2.483 -1.823 1.00 41.44 H new ATOM 0 HB3 CYS A 218 -14.064 -2.220 -0.555 1.00 41.44 H new ATOM 0 HG CYS A 218 -10.785 -2.931 -0.250 1.00 24.22 H new ATOM 758 N PRO A 219 -15.261 -6.053 -0.106 1.00 2.24 N ATOM 759 CA PRO A 219 -16.377 -6.555 0.688 1.00 23.03 C ATOM 760 C PRO A 219 -15.985 -6.949 2.116 1.00 53.55 C ATOM 761 O PRO A 219 -16.844 -7.393 2.883 1.00 51.44 O ATOM 762 CB PRO A 219 -16.838 -7.790 -0.080 1.00 13.32 C ATOM 763 CG PRO A 219 -15.515 -8.391 -0.543 1.00 34.20 C ATOM 764 CD PRO A 219 -14.785 -7.123 -0.974 1.00 63.34 C ATOM 0 HA PRO A 219 -17.141 -5.787 0.811 1.00 23.03 H new ATOM 0 HB2 PRO A 219 -17.399 -8.478 0.553 1.00 13.32 H new ATOM 0 HB3 PRO A 219 -17.484 -7.531 -0.919 1.00 13.32 H new ATOM 0 HG2 PRO A 219 -14.995 -8.920 0.256 1.00 34.20 H new ATOM 0 HG3 PRO A 219 -15.643 -9.098 -1.363 1.00 34.20 H new ATOM 0 HD2 PRO A 219 -13.706 -7.246 -0.881 1.00 63.34 H new ATOM 0 HD3 PRO A 219 -14.991 -6.894 -2.020 1.00 63.34 H new ATOM 772 N PHE A 220 -14.695 -6.884 2.434 1.00 52.33 N ATOM 773 CA PHE A 220 -14.110 -7.306 3.687 1.00 13.33 C ATOM 774 C PHE A 220 -13.892 -6.060 4.550 1.00 31.11 C ATOM 775 O PHE A 220 -13.778 -4.956 4.003 1.00 61.21 O ATOM 776 CB PHE A 220 -12.792 -8.036 3.361 1.00 12.53 C ATOM 777 CG PHE A 220 -12.960 -9.230 2.432 1.00 53.04 C ATOM 778 CD1 PHE A 220 -13.926 -10.220 2.706 1.00 43.24 C ATOM 779 CD2 PHE A 220 -12.168 -9.346 1.272 1.00 11.32 C ATOM 780 CE1 PHE A 220 -14.100 -11.309 1.834 1.00 24.41 C ATOM 781 CE2 PHE A 220 -12.342 -10.439 0.403 1.00 35.04 C ATOM 782 CZ PHE A 220 -13.306 -11.422 0.682 1.00 24.35 C ATOM 0 H PHE A 220 -14.000 -6.515 1.785 1.00 52.33 H new ATOM 0 HA PHE A 220 -14.751 -7.990 4.244 1.00 13.33 H new ATOM 0 HB2 PHE A 220 -12.100 -7.328 2.905 1.00 12.53 H new ATOM 0 HB3 PHE A 220 -12.336 -8.374 4.291 1.00 12.53 H new ATOM 0 HD1 PHE A 220 -14.537 -10.141 3.593 1.00 43.24 H new ATOM 0 HD2 PHE A 220 -11.426 -8.594 1.049 1.00 11.32 H new ATOM 0 HE1 PHE A 220 -14.846 -12.060 2.051 1.00 24.41 H new ATOM 0 HE2 PHE A 220 -11.731 -10.523 -0.484 1.00 35.04 H new ATOM 0 HZ PHE A 220 -13.436 -12.260 0.014 1.00 24.35 H new ATOM 792 N PRO A 221 -13.810 -6.215 5.881 1.00 52.42 N ATOM 793 CA PRO A 221 -13.451 -5.119 6.764 1.00 64.02 C ATOM 794 C PRO A 221 -12.008 -4.679 6.499 1.00 52.52 C ATOM 795 O PRO A 221 -11.196 -5.414 5.921 1.00 61.24 O ATOM 796 CB PRO A 221 -13.638 -5.664 8.186 1.00 3.32 C ATOM 797 CG PRO A 221 -13.406 -7.165 8.017 1.00 31.34 C ATOM 798 CD PRO A 221 -13.994 -7.445 6.635 1.00 13.23 C ATOM 0 HA PRO A 221 -14.068 -4.234 6.607 1.00 64.02 H new ATOM 0 HB2 PRO A 221 -12.926 -5.222 8.883 1.00 3.32 H new ATOM 0 HB3 PRO A 221 -14.635 -5.451 8.571 1.00 3.32 H new ATOM 0 HG2 PRO A 221 -12.347 -7.418 8.065 1.00 31.34 H new ATOM 0 HG3 PRO A 221 -13.907 -7.742 8.794 1.00 31.34 H new ATOM 0 HD2 PRO A 221 -13.486 -8.281 6.154 1.00 13.23 H new ATOM 0 HD3 PRO A 221 -15.049 -7.710 6.703 1.00 13.23 H new ATOM 806 N ALA A 222 -11.685 -3.467 6.948 1.00 15.10 N ATOM 807 CA ALA A 222 -10.309 -3.037 7.078 1.00 33.50 C ATOM 808 C ALA A 222 -9.679 -3.825 8.220 1.00 45.31 C ATOM 809 O ALA A 222 -10.290 -3.961 9.279 1.00 5.14 O ATOM 810 CB ALA A 222 -10.257 -1.527 7.331 1.00 54.51 C ATOM 0 H ALA A 222 -12.371 -2.766 7.228 1.00 15.10 H new ATOM 0 HA ALA A 222 -9.750 -3.227 6.162 1.00 33.50 H new ATOM 0 HB1 ALA A 222 -9.219 -1.210 7.428 1.00 54.51 H new ATOM 0 HB2 ALA A 222 -10.720 -1.002 6.496 1.00 54.51 H new ATOM 0 HB3 ALA A 222 -10.795 -1.293 8.250 1.00 54.51 H new ATOM 816 N GLY A 223 -8.460 -4.312 8.004 1.00 72.54 N ATOM 817 CA GLY A 223 -7.685 -4.997 9.020 1.00 54.34 C ATOM 818 C GLY A 223 -8.173 -6.422 9.259 1.00 13.20 C ATOM 819 O GLY A 223 -8.357 -6.822 10.406 1.00 13.51 O ATOM 0 H GLY A 223 -7.982 -4.238 7.106 1.00 72.54 H new ATOM 0 HA2 GLY A 223 -6.637 -5.020 8.720 1.00 54.34 H new ATOM 0 HA3 GLY A 223 -7.738 -4.436 9.953 1.00 54.34 H new ATOM 823 N SER A 224 -8.384 -7.215 8.203 1.00 12.10 N ATOM 824 CA SER A 224 -8.502 -8.669 8.348 1.00 32.34 C ATOM 825 C SER A 224 -7.935 -9.386 7.120 1.00 62.33 C ATOM 826 O SER A 224 -7.975 -8.851 6.011 1.00 52.54 O ATOM 827 CB SER A 224 -9.960 -9.070 8.582 1.00 2.20 C ATOM 828 OG SER A 224 -10.539 -8.367 9.664 1.00 61.34 O ATOM 0 H SER A 224 -8.476 -6.877 7.245 1.00 12.10 H new ATOM 0 HA SER A 224 -7.919 -8.973 9.217 1.00 32.34 H new ATOM 0 HB2 SER A 224 -10.537 -8.880 7.677 1.00 2.20 H new ATOM 0 HB3 SER A 224 -10.014 -10.141 8.776 1.00 2.20 H new ATOM 0 HG SER A 224 -9.843 -7.868 10.140 1.00 61.34 H new ATOM 834 N ASP A 225 -7.463 -10.620 7.298 1.00 61.25 N ATOM 835 CA ASP A 225 -6.662 -11.399 6.347 1.00 53.22 C ATOM 836 C ASP A 225 -7.360 -11.649 5.017 1.00 11.51 C ATOM 837 O ASP A 225 -6.699 -11.832 3.992 1.00 20.21 O ATOM 838 CB ASP A 225 -6.309 -12.760 6.963 1.00 65.42 C ATOM 839 CG ASP A 225 -5.409 -12.585 8.182 1.00 1.12 C ATOM 840 OD1 ASP A 225 -5.957 -12.102 9.196 1.00 40.32 O ATOM 841 OD2 ASP A 225 -4.207 -12.911 8.058 1.00 54.24 O1- ATOM 0 H ASP A 225 -7.639 -11.135 8.161 1.00 61.25 H new ATOM 0 HA ASP A 225 -5.773 -10.802 6.145 1.00 53.22 H new ATOM 0 HB2 ASP A 225 -7.222 -13.282 7.251 1.00 65.42 H new ATOM 0 HB3 ASP A 225 -5.807 -13.381 6.221 1.00 65.42 H new ATOM 846 N LEU A 226 -8.694 -11.641 5.009 1.00 65.13 N ATOM 847 CA LEU A 226 -9.506 -11.749 3.799 1.00 13.44 C ATOM 848 C LEU A 226 -9.119 -10.643 2.813 1.00 72.23 C ATOM 849 O LEU A 226 -9.037 -10.871 1.602 1.00 44.25 O ATOM 850 CB LEU A 226 -10.997 -11.617 4.155 1.00 21.33 C ATOM 851 CG LEU A 226 -11.560 -12.709 5.085 1.00 42.04 C ATOM 852 CD1 LEU A 226 -12.940 -12.298 5.609 1.00 2.14 C ATOM 853 CD2 LEU A 226 -11.675 -14.054 4.368 1.00 31.03 C ATOM 0 H LEU A 226 -9.249 -11.558 5.860 1.00 65.13 H new ATOM 0 HA LEU A 226 -9.329 -12.722 3.341 1.00 13.44 H new ATOM 0 HB2 LEU A 226 -11.155 -10.647 4.626 1.00 21.33 H new ATOM 0 HB3 LEU A 226 -11.574 -11.620 3.230 1.00 21.33 H new ATOM 0 HG LEU A 226 -10.865 -12.819 5.917 1.00 42.04 H new ATOM 0 HD11 LEU A 226 -13.327 -13.078 6.265 1.00 2.14 H new ATOM 0 HD12 LEU A 226 -12.855 -11.365 6.166 1.00 2.14 H new ATOM 0 HD13 LEU A 226 -13.621 -12.159 4.770 1.00 2.14 H new ATOM 0 HD21 LEU A 226 -12.075 -14.799 5.055 1.00 31.03 H new ATOM 0 HD22 LEU A 226 -12.342 -13.954 3.512 1.00 31.03 H new ATOM 0 HD23 LEU A 226 -10.689 -14.369 4.025 1.00 31.03 H new ATOM 865 N ALA A 227 -8.855 -9.441 3.329 1.00 33.13 N ATOM 866 CA ALA A 227 -8.486 -8.299 2.524 1.00 31.51 C ATOM 867 C ALA A 227 -7.058 -8.421 1.982 1.00 61.32 C ATOM 868 O ALA A 227 -6.783 -7.894 0.905 1.00 1.22 O ATOM 869 CB ALA A 227 -8.619 -7.028 3.353 1.00 20.11 C ATOM 0 H ALA A 227 -8.895 -9.242 4.329 1.00 33.13 H new ATOM 0 HA ALA A 227 -9.160 -8.258 1.669 1.00 31.51 H new ATOM 0 HB1 ALA A 227 -8.341 -6.167 2.746 1.00 20.11 H new ATOM 0 HB2 ALA A 227 -9.651 -6.918 3.687 1.00 20.11 H new ATOM 0 HB3 ALA A 227 -7.961 -7.089 4.220 1.00 20.11 H new ATOM 875 N GLN A 228 -6.129 -9.085 2.680 1.00 2.11 N ATOM 876 CA GLN A 228 -4.744 -9.149 2.207 1.00 62.54 C ATOM 877 C GLN A 228 -4.647 -10.041 0.961 1.00 60.13 C ATOM 878 O GLN A 228 -3.908 -9.720 0.027 1.00 43.54 O ATOM 879 CB GLN A 228 -3.779 -9.510 3.348 1.00 74.33 C ATOM 880 CG GLN A 228 -3.413 -10.990 3.481 1.00 13.33 C ATOM 881 CD GLN A 228 -2.762 -11.280 4.831 1.00 64.54 C ATOM 882 OE1 GLN A 228 -1.853 -10.575 5.248 1.00 5.12 O ATOM 883 NE2 GLN A 228 -3.240 -12.301 5.523 1.00 5.01 N ATOM 0 H GLN A 228 -6.307 -9.576 3.556 1.00 2.11 H new ATOM 0 HA GLN A 228 -4.418 -8.161 1.882 1.00 62.54 H new ATOM 0 HB2 GLN A 228 -2.860 -8.941 3.212 1.00 74.33 H new ATOM 0 HB3 GLN A 228 -4.222 -9.181 4.288 1.00 74.33 H new ATOM 0 HG2 GLN A 228 -4.309 -11.600 3.368 1.00 13.33 H new ATOM 0 HG3 GLN A 228 -2.732 -11.272 2.678 1.00 13.33 H new ATOM 0 HE21 GLN A 228 -3.999 -12.865 5.141 1.00 5.01 H new ATOM 0 HE22 GLN A 228 -2.850 -12.524 6.439 1.00 5.01 H new ATOM 892 N LYS A 229 -5.452 -11.112 0.898 1.00 14.24 N ATOM 893 CA LYS A 229 -5.702 -11.856 -0.316 1.00 61.11 C ATOM 894 C LYS A 229 -6.383 -10.963 -1.347 1.00 50.14 C ATOM 895 O LYS A 229 -5.991 -11.014 -2.501 1.00 20.33 O ATOM 896 CB LYS A 229 -6.533 -13.103 0.018 1.00 43.15 C ATOM 897 CG LYS A 229 -6.872 -13.862 -1.266 1.00 65.30 C ATOM 898 CD LYS A 229 -7.615 -15.181 -1.017 1.00 2.11 C ATOM 899 CE LYS A 229 -8.502 -15.572 -2.207 1.00 22.04 C ATOM 900 NZ LYS A 229 -7.745 -16.157 -3.331 1.00 4.21 N1+ ATOM 0 H LYS A 229 -5.949 -11.480 1.709 1.00 14.24 H new ATOM 0 HA LYS A 229 -4.762 -12.189 -0.756 1.00 61.11 H new ATOM 0 HB2 LYS A 229 -5.977 -13.750 0.697 1.00 43.15 H new ATOM 0 HB3 LYS A 229 -7.449 -12.813 0.532 1.00 43.15 H new ATOM 0 HG2 LYS A 229 -7.483 -13.225 -1.905 1.00 65.30 H new ATOM 0 HG3 LYS A 229 -5.951 -14.070 -1.810 1.00 65.30 H new ATOM 0 HD2 LYS A 229 -6.892 -15.974 -0.827 1.00 2.11 H new ATOM 0 HD3 LYS A 229 -8.229 -15.088 -0.121 1.00 2.11 H new ATOM 0 HE2 LYS A 229 -9.253 -16.288 -1.872 1.00 22.04 H new ATOM 0 HE3 LYS A 229 -9.037 -14.690 -2.558 1.00 22.04 H new ATOM 0 HZ1 LYS A 229 -8.400 -16.399 -4.102 1.00 4.21 H new ATOM 0 HZ2 LYS A 229 -7.046 -15.468 -3.675 1.00 4.21 H new ATOM 0 HZ3 LYS A 229 -7.255 -17.016 -3.010 1.00 4.21 H new ATOM 914 N TRP A 230 -7.376 -10.140 -0.994 1.00 13.20 N ATOM 915 CA TRP A 230 -8.016 -9.269 -1.987 1.00 72.33 C ATOM 916 C TRP A 230 -7.000 -8.370 -2.716 1.00 31.00 C ATOM 917 O TRP A 230 -7.055 -8.270 -3.943 1.00 23.12 O ATOM 918 CB TRP A 230 -9.153 -8.464 -1.358 1.00 34.15 C ATOM 919 CG TRP A 230 -9.679 -7.358 -2.209 1.00 61.20 C ATOM 920 CD1 TRP A 230 -10.550 -7.492 -3.231 1.00 14.12 C ATOM 921 CD2 TRP A 230 -9.343 -5.939 -2.147 1.00 53.24 C ATOM 922 NE1 TRP A 230 -10.789 -6.252 -3.785 1.00 24.03 N ATOM 923 CE2 TRP A 230 -10.112 -5.251 -3.126 1.00 13.24 C ATOM 924 CE3 TRP A 230 -8.479 -5.163 -1.348 1.00 35.03 C ATOM 925 CZ2 TRP A 230 -10.086 -3.855 -3.254 1.00 2.33 C ATOM 926 CZ3 TRP A 230 -8.397 -3.766 -1.506 1.00 33.44 C ATOM 927 CH2 TRP A 230 -9.215 -3.108 -2.444 1.00 4.35 C ATOM 0 H TRP A 230 -7.749 -10.058 -0.048 1.00 13.20 H new ATOM 0 HA TRP A 230 -8.453 -9.912 -2.751 1.00 72.33 H new ATOM 0 HB2 TRP A 230 -9.972 -9.143 -1.121 1.00 34.15 H new ATOM 0 HB3 TRP A 230 -8.804 -8.044 -0.415 1.00 34.15 H new ATOM 0 HD1 TRP A 230 -10.989 -8.421 -3.562 1.00 14.12 H new ATOM 0 HE1 TRP A 230 -11.396 -6.095 -4.589 1.00 24.03 H new ATOM 0 HE3 TRP A 230 -7.869 -5.649 -0.601 1.00 35.03 H new ATOM 0 HZ2 TRP A 230 -10.728 -3.360 -3.967 1.00 2.33 H new ATOM 0 HZ3 TRP A 230 -7.703 -3.197 -0.905 1.00 33.44 H new ATOM 0 HH2 TRP A 230 -9.173 -2.033 -2.540 1.00 4.35 H new ATOM 938 N HIS A 231 -6.034 -7.787 -1.992 1.00 41.52 N ATOM 939 CA HIS A 231 -4.956 -6.979 -2.572 1.00 44.11 C ATOM 940 C HIS A 231 -4.113 -7.767 -3.592 1.00 62.42 C ATOM 941 O HIS A 231 -3.432 -7.154 -4.409 1.00 2.10 O ATOM 942 CB HIS A 231 -4.027 -6.432 -1.469 1.00 73.30 C ATOM 943 CG HIS A 231 -4.597 -5.337 -0.597 1.00 1.23 C ATOM 944 ND1 HIS A 231 -5.457 -5.493 0.467 1.00 54.43 N ATOM 945 CD2 HIS A 231 -4.251 -4.014 -0.646 1.00 54.44 C ATOM 946 CE1 HIS A 231 -5.650 -4.287 1.026 1.00 44.02 C ATOM 947 NE2 HIS A 231 -4.943 -3.350 0.374 1.00 72.12 N ATOM 0 H HIS A 231 -5.980 -7.865 -0.976 1.00 41.52 H new ATOM 0 HA HIS A 231 -5.440 -6.154 -3.095 1.00 44.11 H new ATOM 0 HB2 HIS A 231 -3.732 -7.262 -0.827 1.00 73.30 H new ATOM 0 HB3 HIS A 231 -3.119 -6.056 -1.941 1.00 73.30 H new ATOM 0 HD1 HIS A 231 -5.874 -6.371 0.776 1.00 54.43 H new ATOM 0 HD2 HIS A 231 -3.565 -3.562 -1.347 1.00 54.44 H new ATOM 0 HE1 HIS A 231 -6.284 -4.098 1.879 1.00 44.02 H new ATOM 955 N LEU A 232 -4.140 -9.104 -3.564 1.00 43.21 N ATOM 956 CA LEU A 232 -3.418 -9.972 -4.486 1.00 54.14 C ATOM 957 C LEU A 232 -3.994 -9.812 -5.893 1.00 63.01 C ATOM 958 O LEU A 232 -3.244 -9.505 -6.820 1.00 33.14 O ATOM 959 CB LEU A 232 -3.477 -11.424 -3.981 1.00 63.34 C ATOM 960 CG LEU A 232 -2.368 -12.365 -4.475 1.00 62.14 C ATOM 961 CD1 LEU A 232 -2.342 -13.592 -3.559 1.00 23.25 C ATOM 962 CD2 LEU A 232 -2.558 -12.816 -5.926 1.00 64.32 C ATOM 0 H LEU A 232 -4.684 -9.623 -2.875 1.00 43.21 H new ATOM 0 HA LEU A 232 -2.366 -9.690 -4.533 1.00 54.14 H new ATOM 0 HB2 LEU A 232 -3.451 -11.408 -2.891 1.00 63.34 H new ATOM 0 HB3 LEU A 232 -4.439 -11.848 -4.271 1.00 63.34 H new ATOM 0 HG LEU A 232 -1.427 -11.816 -4.443 1.00 62.14 H new ATOM 0 HD11 LEU A 232 -1.561 -14.277 -3.890 1.00 23.25 H new ATOM 0 HD12 LEU A 232 -2.139 -13.278 -2.535 1.00 23.25 H new ATOM 0 HD13 LEU A 232 -3.307 -14.096 -3.599 1.00 23.25 H new ATOM 0 HD21 LEU A 232 -1.741 -13.478 -6.211 1.00 64.32 H new ATOM 0 HD22 LEU A 232 -3.505 -13.347 -6.021 1.00 64.32 H new ATOM 0 HD23 LEU A 232 -2.564 -11.944 -6.580 1.00 64.32 H new ATOM 974 N ILE A 233 -5.314 -9.991 -6.042 1.00 20.31 N ATOM 975 CA ILE A 233 -6.025 -9.801 -7.307 1.00 12.23 C ATOM 976 C ILE A 233 -6.014 -8.312 -7.683 1.00 33.40 C ATOM 977 O ILE A 233 -5.840 -7.959 -8.848 1.00 73.01 O ATOM 978 CB ILE A 233 -7.492 -10.313 -7.253 1.00 31.24 C ATOM 979 CG1 ILE A 233 -7.716 -11.721 -6.661 1.00 41.21 C ATOM 980 CG2 ILE A 233 -8.039 -10.369 -8.689 1.00 11.11 C ATOM 981 CD1 ILE A 233 -7.790 -11.782 -5.138 1.00 1.50 C ATOM 0 H ILE A 233 -5.923 -10.276 -5.275 1.00 20.31 H new ATOM 0 HA ILE A 233 -5.505 -10.390 -8.062 1.00 12.23 H new ATOM 0 HB ILE A 233 -7.995 -9.610 -6.589 1.00 31.24 H new ATOM 0 HG12 ILE A 233 -8.641 -12.127 -7.070 1.00 41.21 H new ATOM 0 HG13 ILE A 233 -6.908 -12.371 -6.996 1.00 41.21 H new ATOM 0 HG21 ILE A 233 -9.069 -10.726 -8.672 1.00 11.11 H new ATOM 0 HG22 ILE A 233 -8.008 -9.372 -9.129 1.00 11.11 H new ATOM 0 HG23 ILE A 233 -7.429 -11.048 -9.285 1.00 11.11 H new ATOM 0 HD11 ILE A 233 -7.949 -12.813 -4.822 1.00 1.50 H new ATOM 0 HD12 ILE A 233 -6.857 -11.412 -4.713 1.00 1.50 H new ATOM 0 HD13 ILE A 233 -8.617 -11.164 -4.789 1.00 1.50 H new ATOM 993 N LYS A 234 -6.214 -7.425 -6.704 1.00 35.12 N ATOM 994 CA LYS A 234 -6.339 -5.986 -6.854 1.00 65.43 C ATOM 995 C LYS A 234 -7.549 -5.591 -7.710 1.00 71.04 C ATOM 996 O LYS A 234 -8.597 -5.242 -7.171 1.00 11.24 O ATOM 997 CB LYS A 234 -4.989 -5.383 -7.292 1.00 41.01 C ATOM 998 CG LYS A 234 -4.957 -3.853 -7.140 1.00 40.11 C ATOM 999 CD LYS A 234 -4.205 -3.156 -8.284 1.00 52.01 C ATOM 1000 CE LYS A 234 -2.723 -3.523 -8.244 1.00 24.13 C ATOM 1001 NZ LYS A 234 -1.980 -2.716 -7.252 1.00 64.53 N1+ ATOM 0 H LYS A 234 -6.297 -7.717 -5.730 1.00 35.12 H new ATOM 0 HA LYS A 234 -6.565 -5.538 -5.887 1.00 65.43 H new ATOM 0 HB2 LYS A 234 -4.188 -5.822 -6.698 1.00 41.01 H new ATOM 0 HB3 LYS A 234 -4.796 -5.647 -8.332 1.00 41.01 H new ATOM 0 HG2 LYS A 234 -5.979 -3.475 -7.100 1.00 40.11 H new ATOM 0 HG3 LYS A 234 -4.485 -3.597 -6.192 1.00 40.11 H new ATOM 0 HD2 LYS A 234 -4.634 -3.449 -9.242 1.00 52.01 H new ATOM 0 HD3 LYS A 234 -4.322 -2.076 -8.200 1.00 52.01 H new ATOM 0 HE2 LYS A 234 -2.618 -4.581 -8.003 1.00 24.13 H new ATOM 0 HE3 LYS A 234 -2.286 -3.376 -9.232 1.00 24.13 H new ATOM 0 HZ1 LYS A 234 -0.978 -2.996 -7.257 1.00 64.53 H new ATOM 0 HZ2 LYS A 234 -2.059 -1.708 -7.496 1.00 64.53 H new ATOM 0 HZ3 LYS A 234 -2.380 -2.876 -6.305 1.00 64.53 H new ATOM 1015 N GLN A 235 -7.445 -5.650 -9.033 1.00 72.02 N ATOM 1016 CA GLN A 235 -8.401 -5.120 -10.002 1.00 11.35 C ATOM 1017 C GLN A 235 -8.804 -6.228 -10.983 1.00 33.24 C ATOM 1018 O GLN A 235 -8.600 -7.407 -10.696 1.00 30.21 O ATOM 1019 CB GLN A 235 -7.769 -3.906 -10.705 1.00 22.32 C ATOM 1020 CG GLN A 235 -7.708 -2.649 -9.840 1.00 50.13 C ATOM 1021 CD GLN A 235 -7.036 -1.517 -10.596 1.00 24.00 C ATOM 1022 OE1 GLN A 235 -6.056 -0.940 -10.132 1.00 23.03 O ATOM 1023 NE2 GLN A 235 -7.520 -1.185 -11.781 1.00 43.20 N ATOM 0 H GLN A 235 -6.646 -6.094 -9.485 1.00 72.02 H new ATOM 0 HA GLN A 235 -9.313 -4.783 -9.510 1.00 11.35 H new ATOM 0 HB2 GLN A 235 -6.759 -4.167 -11.020 1.00 22.32 H new ATOM 0 HB3 GLN A 235 -8.338 -3.686 -11.608 1.00 22.32 H new ATOM 0 HG2 GLN A 235 -8.715 -2.352 -9.548 1.00 50.13 H new ATOM 0 HG3 GLN A 235 -7.159 -2.858 -8.922 1.00 50.13 H new ATOM 0 HE21 GLN A 235 -8.334 -1.673 -12.154 1.00 43.20 H new ATOM 0 HE22 GLN A 235 -7.079 -0.441 -12.322 1.00 43.20 H new