USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 637 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 70 SER OG : rot 113:sc= 1.21 USER MOD Set 1.2: A 76 SER OG : rot -170:sc= 0.0639 USER MOD Set 2.1: A 37 TYR OH : rot 58:sc= 1.3 USER MOD Set 2.2: A 58 ASN : amide:sc= 0.0639 K(o=1.4,f=-7.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -15:sc= 0.801 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.726 (180deg=0.726) USER MOD Single : A 23 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.04) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= -1.87! (180deg=-4!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.143) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.165) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 140:sc= 1.12 (180deg=0.166) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= -0.0107 (180deg=-0.124) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 9.841 -4.526 -10.774 1.00 24.44 N ATOM 114 CA LYS A 8 9.463 -3.624 -9.682 1.00 23.25 C ATOM 115 C LYS A 8 7.944 -3.392 -9.712 1.00 54.23 C ATOM 116 O LYS A 8 7.429 -2.744 -10.627 1.00 14.55 O ATOM 117 CB LYS A 8 10.198 -2.276 -9.789 1.00 52.22 C ATOM 118 CG LYS A 8 11.721 -2.365 -9.935 1.00 21.35 C ATOM 119 CD LYS A 8 12.154 -2.679 -11.371 1.00 71.14 C ATOM 120 CE LYS A 8 13.661 -2.522 -11.568 1.00 53.01 C ATOM 121 NZ LYS A 8 14.445 -3.482 -10.748 1.00 70.15 N ATOM 0 HA LYS A 8 9.749 -4.089 -8.739 1.00 23.25 H new ATOM 0 HB2 LYS A 8 9.800 -1.732 -10.645 1.00 52.22 H new ATOM 0 HB3 LYS A 8 9.969 -1.686 -8.902 1.00 52.22 H new ATOM 0 HG2 LYS A 8 12.169 -1.422 -9.622 1.00 21.35 H new ATOM 0 HG3 LYS A 8 12.103 -3.137 -9.267 1.00 21.35 H new ATOM 0 HD2 LYS A 8 11.861 -3.698 -11.622 1.00 71.14 H new ATOM 0 HD3 LYS A 8 11.629 -2.017 -12.060 1.00 71.14 H new ATOM 0 HE2 LYS A 8 13.903 -2.666 -12.621 1.00 53.01 H new ATOM 0 HE3 LYS A 8 13.954 -1.504 -11.310 1.00 53.01 H new ATOM 0 HZ1 LYS A 8 15.460 -3.335 -10.917 1.00 70.15 H new ATOM 0 HZ2 LYS A 8 14.236 -3.329 -9.741 1.00 70.15 H new ATOM 0 HZ3 LYS A 8 14.188 -4.455 -11.011 1.00 70.15 H new ATOM 135 N ASP A 9 7.231 -3.921 -8.722 1.00 62.24 N ATOM 136 CA ASP A 9 5.761 -3.906 -8.734 1.00 1.31 C ATOM 137 C ASP A 9 5.160 -2.557 -8.305 1.00 4.03 C ATOM 138 O ASP A 9 5.864 -1.636 -7.891 1.00 53.35 O ATOM 139 CB ASP A 9 5.212 -5.027 -7.845 1.00 41.10 C ATOM 140 CG ASP A 9 5.475 -6.402 -8.430 1.00 43.41 C ATOM 141 OD1 ASP A 9 4.908 -6.715 -9.503 1.00 71.43 O ATOM 142 OD2 ASP A 9 6.230 -7.183 -7.819 1.00 55.00 O ATOM 0 H ASP A 9 7.641 -4.366 -7.901 1.00 62.24 H new ATOM 0 HA ASP A 9 5.461 -4.068 -9.769 1.00 1.31 H new ATOM 0 HB2 ASP A 9 5.667 -4.961 -6.857 1.00 41.10 H new ATOM 0 HB3 ASP A 9 4.139 -4.890 -7.711 1.00 41.10 H new ATOM 147 N GLU A 10 3.837 -2.468 -8.411 1.00 24.42 N ATOM 148 CA GLU A 10 3.091 -1.244 -8.101 1.00 74.32 C ATOM 149 C GLU A 10 2.054 -1.491 -6.998 1.00 32.11 C ATOM 150 O GLU A 10 1.691 -2.634 -6.717 1.00 22.14 O ATOM 151 CB GLU A 10 2.381 -0.747 -9.367 1.00 2.04 C ATOM 152 CG GLU A 10 1.361 -1.743 -9.921 1.00 13.12 C ATOM 153 CD GLU A 10 0.864 -1.375 -11.309 1.00 23.00 C ATOM 154 OE1 GLU A 10 1.525 -1.762 -12.299 1.00 35.35 O ATOM 155 OE2 GLU A 10 -0.191 -0.716 -11.421 1.00 63.43 O ATOM 0 H GLU A 10 3.247 -3.243 -8.715 1.00 24.42 H new ATOM 0 HA GLU A 10 3.796 -0.492 -7.746 1.00 74.32 H new ATOM 0 HB2 GLU A 10 1.877 0.194 -9.146 1.00 2.04 H new ATOM 0 HB3 GLU A 10 3.126 -0.537 -10.134 1.00 2.04 H new ATOM 0 HG2 GLU A 10 1.811 -2.735 -9.954 1.00 13.12 H new ATOM 0 HG3 GLU A 10 0.511 -1.801 -9.241 1.00 13.12 H new ATOM 162 N TYR A 11 1.592 -0.418 -6.368 1.00 23.22 N ATOM 163 CA TYR A 11 0.505 -0.497 -5.385 1.00 73.44 C ATOM 164 C TYR A 11 -0.448 0.696 -5.518 1.00 23.11 C ATOM 165 O TYR A 11 -0.032 1.852 -5.398 1.00 63.53 O ATOM 166 CB TYR A 11 1.060 -0.554 -3.951 1.00 50.00 C ATOM 167 CG TYR A 11 1.757 -1.859 -3.609 1.00 44.32 C ATOM 168 CD1 TYR A 11 1.022 -2.996 -3.283 1.00 73.15 C ATOM 169 CD2 TYR A 11 3.145 -1.956 -3.613 1.00 14.25 C ATOM 170 CE1 TYR A 11 1.648 -4.187 -2.973 1.00 31.41 C ATOM 171 CE2 TYR A 11 3.777 -3.145 -3.304 1.00 72.03 C ATOM 172 CZ TYR A 11 3.026 -4.256 -2.985 1.00 21.31 C ATOM 173 OH TYR A 11 3.658 -5.439 -2.672 1.00 61.04 O ATOM 0 H TYR A 11 1.952 0.525 -6.518 1.00 23.22 H new ATOM 0 HA TYR A 11 -0.048 -1.414 -5.587 1.00 73.44 H new ATOM 0 HB2 TYR A 11 1.762 0.268 -3.811 1.00 50.00 H new ATOM 0 HB3 TYR A 11 0.241 -0.397 -3.249 1.00 50.00 H new ATOM 0 HD1 TYR A 11 -0.057 -2.945 -3.272 1.00 73.15 H new ATOM 0 HD2 TYR A 11 3.738 -1.088 -3.862 1.00 14.25 H new ATOM 0 HE1 TYR A 11 1.063 -5.059 -2.723 1.00 31.41 H new ATOM 0 HE2 TYR A 11 4.855 -3.204 -3.312 1.00 72.03 H new ATOM 0 HH TYR A 11 4.629 -5.316 -2.729 1.00 61.04 H new ATOM 183 N TYR A 12 -1.724 0.422 -5.777 1.00 40.12 N ATOM 184 CA TYR A 12 -2.727 1.484 -5.834 1.00 14.40 C ATOM 185 C TYR A 12 -3.101 1.952 -4.424 1.00 70.31 C ATOM 186 O TYR A 12 -3.864 1.298 -3.712 1.00 32.14 O ATOM 187 CB TYR A 12 -3.971 1.030 -6.606 1.00 51.12 C ATOM 188 CG TYR A 12 -3.726 0.886 -8.097 1.00 71.35 C ATOM 189 CD1 TYR A 12 -3.853 1.980 -8.950 1.00 52.31 C ATOM 190 CD2 TYR A 12 -3.360 -0.335 -8.647 1.00 51.40 C ATOM 191 CE1 TYR A 12 -3.621 1.856 -10.308 1.00 30.43 C ATOM 192 CE2 TYR A 12 -3.125 -0.464 -10.001 1.00 43.01 C ATOM 193 CZ TYR A 12 -3.257 0.631 -10.828 1.00 42.52 C ATOM 194 OH TYR A 12 -3.026 0.498 -12.180 1.00 24.15 O ATOM 0 H TYR A 12 -2.086 -0.516 -5.949 1.00 40.12 H new ATOM 0 HA TYR A 12 -2.292 2.328 -6.370 1.00 14.40 H new ATOM 0 HB2 TYR A 12 -4.311 0.075 -6.206 1.00 51.12 H new ATOM 0 HB3 TYR A 12 -4.775 1.748 -6.443 1.00 51.12 H new ATOM 0 HD1 TYR A 12 -4.137 2.940 -8.545 1.00 52.31 H new ATOM 0 HD2 TYR A 12 -3.258 -1.198 -8.005 1.00 51.40 H new ATOM 0 HE1 TYR A 12 -3.724 2.713 -10.957 1.00 30.43 H new ATOM 0 HE2 TYR A 12 -2.838 -1.421 -10.412 1.00 43.01 H new ATOM 0 HH TYR A 12 -3.388 1.277 -12.652 1.00 24.15 H new ATOM 204 N VAL A 13 -2.522 3.075 -4.024 1.00 14.42 N ATOM 205 CA VAL A 13 -2.805 3.680 -2.727 1.00 34.31 C ATOM 206 C VAL A 13 -3.956 4.677 -2.833 1.00 32.14 C ATOM 207 O VAL A 13 -4.425 4.995 -3.926 1.00 3.42 O ATOM 208 CB VAL A 13 -1.558 4.413 -2.162 1.00 14.40 C ATOM 209 CG1 VAL A 13 -0.340 3.490 -2.146 1.00 43.41 C ATOM 210 CG2 VAL A 13 -1.260 5.684 -2.956 1.00 61.40 C ATOM 0 H VAL A 13 -1.845 3.592 -4.585 1.00 14.42 H new ATOM 0 HA VAL A 13 -3.081 2.871 -2.050 1.00 34.31 H new ATOM 0 HB VAL A 13 -1.780 4.700 -1.134 1.00 14.40 H new ATOM 0 HG11 VAL A 13 0.519 4.028 -1.746 1.00 43.41 H new ATOM 0 HG12 VAL A 13 -0.549 2.623 -1.519 1.00 43.41 H new ATOM 0 HG13 VAL A 13 -0.120 3.160 -3.161 1.00 43.41 H new ATOM 0 HG21 VAL A 13 -0.382 6.177 -2.538 1.00 61.40 H new ATOM 0 HG22 VAL A 13 -1.070 5.426 -3.998 1.00 61.40 H new ATOM 0 HG23 VAL A 13 -2.115 6.357 -2.899 1.00 61.40 H new ATOM 220 N GLN A 14 -4.401 5.168 -1.691 1.00 63.01 N ATOM 221 CA GLN A 14 -5.446 6.180 -1.647 1.00 62.43 C ATOM 222 C GLN A 14 -4.998 7.347 -0.760 1.00 61.24 C ATOM 223 O GLN A 14 -4.585 7.140 0.382 1.00 33.42 O ATOM 224 CB GLN A 14 -6.750 5.564 -1.119 1.00 74.34 C ATOM 225 CG GLN A 14 -7.986 6.385 -1.452 1.00 11.23 C ATOM 226 CD GLN A 14 -9.269 5.784 -0.896 1.00 4.01 C ATOM 227 OE1 GLN A 14 -9.391 4.574 -0.733 1.00 43.21 O ATOM 228 NE2 GLN A 14 -10.245 6.622 -0.607 1.00 63.14 N ATOM 0 H GLN A 14 -4.054 4.882 -0.775 1.00 63.01 H new ATOM 0 HA GLN A 14 -5.628 6.558 -2.653 1.00 62.43 H new ATOM 0 HB2 GLN A 14 -6.865 4.563 -1.536 1.00 74.34 H new ATOM 0 HB3 GLN A 14 -6.678 5.452 -0.037 1.00 74.34 H new ATOM 0 HG2 GLN A 14 -7.863 7.393 -1.056 1.00 11.23 H new ATOM 0 HG3 GLN A 14 -8.074 6.476 -2.535 1.00 11.23 H new ATOM 0 HE21 GLN A 14 -10.117 7.623 -0.752 1.00 63.14 H new ATOM 0 HE22 GLN A 14 -11.128 6.269 -0.238 1.00 63.14 H new ATOM 237 N ILE A 15 -5.061 8.566 -1.294 1.00 11.44 N ATOM 238 CA ILE A 15 -4.572 9.747 -0.571 1.00 32.44 C ATOM 239 C ILE A 15 -5.383 10.006 0.708 1.00 5.53 C ATOM 240 O ILE A 15 -6.408 10.698 0.688 1.00 42.44 O ATOM 241 CB ILE A 15 -4.587 11.020 -1.459 1.00 63.53 C ATOM 242 CG1 ILE A 15 -3.795 10.785 -2.757 1.00 24.04 C ATOM 243 CG2 ILE A 15 -4.017 12.218 -0.694 1.00 62.43 C ATOM 244 CD1 ILE A 15 -2.326 10.483 -2.541 1.00 2.05 C ATOM 0 H ILE A 15 -5.443 8.765 -2.219 1.00 11.44 H new ATOM 0 HA ILE A 15 -3.540 9.528 -0.296 1.00 32.44 H new ATOM 0 HB ILE A 15 -5.622 11.240 -1.722 1.00 63.53 H new ATOM 0 HG12 ILE A 15 -4.249 9.957 -3.302 1.00 24.04 H new ATOM 0 HG13 ILE A 15 -3.884 11.669 -3.389 1.00 24.04 H new ATOM 0 HG21 ILE A 15 -4.036 13.101 -1.333 1.00 62.43 H new ATOM 0 HG22 ILE A 15 -4.619 12.401 0.196 1.00 62.43 H new ATOM 0 HG23 ILE A 15 -2.989 12.006 -0.399 1.00 62.43 H new ATOM 0 HD11 ILE A 15 -1.840 10.330 -3.505 1.00 2.05 H new ATOM 0 HD12 ILE A 15 -1.854 11.320 -2.026 1.00 2.05 H new ATOM 0 HD13 ILE A 15 -2.225 9.581 -1.937 1.00 2.05 H new ATOM 256 N THR A 16 -4.929 9.407 1.809 1.00 23.04 N ATOM 257 CA THR A 16 -5.545 9.610 3.123 1.00 13.23 C ATOM 258 C THR A 16 -5.078 10.923 3.760 1.00 23.23 C ATOM 259 O THR A 16 -5.875 11.832 3.978 1.00 24.31 O ATOM 260 CB THR A 16 -5.218 8.446 4.091 1.00 65.34 C ATOM 261 OG1 THR A 16 -3.795 8.312 4.245 1.00 53.34 O ATOM 262 CG2 THR A 16 -5.802 7.133 3.581 1.00 52.34 C ATOM 0 H THR A 16 -4.131 8.772 1.817 1.00 23.04 H new ATOM 0 HA THR A 16 -6.622 9.648 2.957 1.00 13.23 H new ATOM 0 HB THR A 16 -5.667 8.676 5.057 1.00 65.34 H new ATOM 0 HG1 THR A 16 -3.601 7.574 4.860 1.00 53.34 H new ATOM 0 HG21 THR A 16 -5.559 6.331 4.278 1.00 52.34 H new ATOM 0 HG22 THR A 16 -6.885 7.225 3.497 1.00 52.34 H new ATOM 0 HG23 THR A 16 -5.381 6.903 2.602 1.00 52.34 H new ATOM 270 N VAL A 17 -3.782 11.012 4.050 1.00 21.30 N ATOM 271 CA VAL A 17 -3.200 12.217 4.650 1.00 11.33 C ATOM 272 C VAL A 17 -2.704 13.205 3.576 1.00 10.15 C ATOM 273 O VAL A 17 -1.886 12.865 2.723 1.00 72.13 O ATOM 274 CB VAL A 17 -2.035 11.863 5.616 1.00 54.44 C ATOM 275 CG1 VAL A 17 -2.552 11.051 6.804 1.00 52.42 C ATOM 276 CG2 VAL A 17 -0.925 11.103 4.888 1.00 61.33 C ATOM 0 H VAL A 17 -3.111 10.263 3.880 1.00 21.30 H new ATOM 0 HA VAL A 17 -3.994 12.698 5.221 1.00 11.33 H new ATOM 0 HB VAL A 17 -1.613 12.796 5.990 1.00 54.44 H new ATOM 0 HG11 VAL A 17 -1.723 10.812 7.470 1.00 52.42 H new ATOM 0 HG12 VAL A 17 -3.297 11.634 7.346 1.00 52.42 H new ATOM 0 HG13 VAL A 17 -3.006 10.128 6.444 1.00 52.42 H new ATOM 0 HG21 VAL A 17 -0.124 10.869 5.589 1.00 61.33 H new ATOM 0 HG22 VAL A 17 -1.328 10.178 4.475 1.00 61.33 H new ATOM 0 HG23 VAL A 17 -0.531 11.720 4.080 1.00 61.33 H new ATOM 286 N ASP A 18 -3.224 14.429 3.618 1.00 41.14 N ATOM 287 CA ASP A 18 -2.835 15.477 2.669 1.00 20.03 C ATOM 288 C ASP A 18 -2.472 16.782 3.404 1.00 20.52 C ATOM 289 O ASP A 18 -2.808 16.957 4.578 1.00 64.20 O ATOM 290 CB ASP A 18 -3.980 15.726 1.677 1.00 75.34 C ATOM 291 CG ASP A 18 -5.206 16.342 2.335 1.00 42.11 C ATOM 292 OD1 ASP A 18 -5.689 15.798 3.352 1.00 35.32 O ATOM 293 OD2 ASP A 18 -5.694 17.379 1.840 1.00 13.41 O ATOM 0 H ASP A 18 -3.920 14.724 4.302 1.00 41.14 H new ATOM 0 HA ASP A 18 -1.952 15.142 2.125 1.00 20.03 H new ATOM 0 HB2 ASP A 18 -3.630 16.385 0.883 1.00 75.34 H new ATOM 0 HB3 ASP A 18 -4.260 14.783 1.208 1.00 75.34 H new ATOM 298 N GLY A 19 -1.778 17.690 2.714 1.00 34.44 N ATOM 299 CA GLY A 19 -1.404 18.973 3.318 1.00 1.23 C ATOM 300 C GLY A 19 -0.392 18.853 4.462 1.00 2.51 C ATOM 301 O GLY A 19 -0.125 19.827 5.170 1.00 32.42 O ATOM 0 H GLY A 19 -1.467 17.565 1.751 1.00 34.44 H new ATOM 0 HA2 GLY A 19 -0.988 19.619 2.545 1.00 1.23 H new ATOM 0 HA3 GLY A 19 -2.303 19.462 3.692 1.00 1.23 H new ATOM 305 N LYS A 20 0.157 17.655 4.657 1.00 62.32 N ATOM 306 CA LYS A 20 1.124 17.403 5.733 1.00 24.02 C ATOM 307 C LYS A 20 2.509 17.953 5.352 1.00 2.13 C ATOM 308 O LYS A 20 3.160 17.434 4.446 1.00 12.14 O ATOM 309 CB LYS A 20 1.186 15.887 6.017 1.00 15.55 C ATOM 310 CG LYS A 20 1.950 15.484 7.289 1.00 12.24 C ATOM 311 CD LYS A 20 3.469 15.539 7.117 1.00 21.42 C ATOM 312 CE LYS A 20 4.200 15.012 8.350 1.00 42.22 C ATOM 313 NZ LYS A 20 3.879 13.586 8.622 1.00 1.02 N ATOM 0 H LYS A 20 -0.050 16.838 4.083 1.00 62.32 H new ATOM 0 HA LYS A 20 0.803 17.918 6.639 1.00 24.02 H new ATOM 0 HB2 LYS A 20 0.167 15.506 6.090 1.00 15.55 H new ATOM 0 HB3 LYS A 20 1.650 15.393 5.163 1.00 15.55 H new ATOM 0 HG2 LYS A 20 1.658 16.144 8.106 1.00 12.24 H new ATOM 0 HG3 LYS A 20 1.659 14.474 7.576 1.00 12.24 H new ATOM 0 HD2 LYS A 20 3.757 14.952 6.245 1.00 21.42 H new ATOM 0 HD3 LYS A 20 3.776 16.567 6.925 1.00 21.42 H new ATOM 0 HE2 LYS A 20 5.275 15.121 8.208 1.00 42.22 H new ATOM 0 HE3 LYS A 20 3.931 15.616 9.217 1.00 42.22 H new ATOM 0 HZ1 LYS A 20 4.409 13.264 9.457 1.00 1.02 H new ATOM 0 HZ2 LYS A 20 2.859 13.488 8.800 1.00 1.02 H new ATOM 0 HZ3 LYS A 20 4.144 13.007 7.799 1.00 1.02 H new ATOM 327 N GLU A 21 2.952 19.003 6.044 1.00 62.42 N ATOM 328 CA GLU A 21 4.265 19.610 5.776 1.00 33.20 C ATOM 329 C GLU A 21 5.371 18.980 6.630 1.00 50.01 C ATOM 330 O GLU A 21 5.142 18.571 7.771 1.00 45.11 O ATOM 331 CB GLU A 21 4.226 21.126 6.017 1.00 72.22 C ATOM 332 CG GLU A 21 3.200 21.859 5.160 1.00 43.41 C ATOM 333 CD GLU A 21 3.341 23.374 5.227 1.00 5.10 C ATOM 334 OE1 GLU A 21 3.041 23.964 6.285 1.00 14.44 O ATOM 335 OE2 GLU A 21 3.746 23.987 4.216 1.00 73.22 O ATOM 0 H GLU A 21 2.426 19.453 6.793 1.00 62.42 H new ATOM 0 HA GLU A 21 4.495 19.419 4.728 1.00 33.20 H new ATOM 0 HB2 GLU A 21 4.007 21.312 7.068 1.00 72.22 H new ATOM 0 HB3 GLU A 21 5.214 21.541 5.819 1.00 72.22 H new ATOM 0 HG2 GLU A 21 3.303 21.536 4.124 1.00 43.41 H new ATOM 0 HG3 GLU A 21 2.198 21.578 5.484 1.00 43.41 H new ATOM 342 N VAL A 22 6.574 18.913 6.068 1.00 22.52 N ATOM 343 CA VAL A 22 7.731 18.360 6.764 1.00 72.30 C ATOM 344 C VAL A 22 8.909 19.344 6.765 1.00 44.35 C ATOM 345 O VAL A 22 9.553 19.587 5.742 1.00 70.45 O ATOM 346 CB VAL A 22 8.181 17.002 6.161 1.00 20.31 C ATOM 347 CG1 VAL A 22 7.192 15.898 6.523 1.00 64.40 C ATOM 348 CG2 VAL A 22 8.340 17.098 4.644 1.00 23.32 C ATOM 0 H VAL A 22 6.774 19.239 5.122 1.00 22.52 H new ATOM 0 HA VAL A 22 7.416 18.187 7.793 1.00 72.30 H new ATOM 0 HB VAL A 22 9.152 16.753 6.588 1.00 20.31 H new ATOM 0 HG11 VAL A 22 7.526 14.955 6.091 1.00 64.40 H new ATOM 0 HG12 VAL A 22 7.136 15.801 7.607 1.00 64.40 H new ATOM 0 HG13 VAL A 22 6.207 16.149 6.130 1.00 64.40 H new ATOM 0 HG21 VAL A 22 8.656 16.132 4.249 1.00 23.32 H new ATOM 0 HG22 VAL A 22 7.387 17.379 4.195 1.00 23.32 H new ATOM 0 HG23 VAL A 22 9.090 17.851 4.404 1.00 23.32 H new ATOM 358 N HIS A 23 9.156 19.923 7.927 1.00 40.30 N ATOM 359 CA HIS A 23 10.324 20.788 8.166 1.00 53.50 C ATOM 360 C HIS A 23 11.639 19.963 8.186 1.00 35.23 C ATOM 361 O HIS A 23 12.520 20.192 9.014 1.00 0.04 O ATOM 362 CB HIS A 23 10.128 21.515 9.510 1.00 12.20 C ATOM 363 CG HIS A 23 10.993 22.728 9.702 1.00 4.04 C ATOM 364 ND1 HIS A 23 10.538 24.009 9.480 1.00 2.42 N ATOM 365 CD2 HIS A 23 12.275 22.862 10.125 1.00 73.20 C ATOM 366 CE1 HIS A 23 11.495 24.871 9.750 1.00 40.33 C ATOM 367 NE2 HIS A 23 12.559 24.206 10.145 1.00 15.24 N ATOM 0 H HIS A 23 8.555 19.813 8.744 1.00 40.30 H new ATOM 0 HA HIS A 23 10.406 21.513 7.356 1.00 53.50 H new ATOM 0 HB2 HIS A 23 9.083 21.814 9.596 1.00 12.20 H new ATOM 0 HB3 HIS A 23 10.327 20.813 10.319 1.00 12.20 H new ATOM 0 HD2 HIS A 23 12.947 22.061 10.396 1.00 73.20 H new ATOM 0 HE1 HIS A 23 11.419 25.945 9.662 1.00 40.33 H new ATOM 0 HE2 HIS A 23 13.449 24.620 10.421 1.00 15.24 H new ATOM 491 N TYR A 32 12.093 26.994 3.683 1.00 14.32 N ATOM 492 CA TYR A 32 11.472 26.051 2.740 1.00 72.42 C ATOM 493 C TYR A 32 10.953 24.782 3.446 1.00 31.14 C ATOM 494 O TYR A 32 11.568 24.287 4.389 1.00 43.43 O ATOM 495 CB TYR A 32 12.470 25.691 1.617 1.00 32.45 C ATOM 496 CG TYR A 32 13.869 25.307 2.099 1.00 65.01 C ATOM 497 CD1 TYR A 32 14.712 26.251 2.687 1.00 61.34 C ATOM 498 CD2 TYR A 32 14.352 24.008 1.959 1.00 61.54 C ATOM 499 CE1 TYR A 32 15.979 25.915 3.122 1.00 14.43 C ATOM 500 CE2 TYR A 32 15.622 23.666 2.391 1.00 34.42 C ATOM 501 CZ TYR A 32 16.431 24.621 2.973 1.00 63.10 C ATOM 502 OH TYR A 32 17.694 24.283 3.410 1.00 65.31 O ATOM 0 HA TYR A 32 10.605 26.543 2.299 1.00 72.42 H new ATOM 0 HB2 TYR A 32 12.061 24.863 1.039 1.00 32.45 H new ATOM 0 HB3 TYR A 32 12.555 26.541 0.940 1.00 32.45 H new ATOM 0 HD1 TYR A 32 14.366 27.267 2.805 1.00 61.34 H new ATOM 0 HD2 TYR A 32 13.725 23.255 1.506 1.00 61.54 H new ATOM 0 HE1 TYR A 32 16.613 26.662 3.577 1.00 14.43 H new ATOM 0 HE2 TYR A 32 15.979 22.654 2.273 1.00 34.42 H new ATOM 0 HH TYR A 32 17.858 23.333 3.232 1.00 65.31 H new ATOM 512 N LYS A 33 9.796 24.284 2.990 1.00 74.24 N ATOM 513 CA LYS A 33 9.171 23.070 3.547 1.00 12.22 C ATOM 514 C LYS A 33 8.598 22.180 2.430 1.00 25.34 C ATOM 515 O LYS A 33 8.135 22.683 1.406 1.00 34.13 O ATOM 516 CB LYS A 33 8.037 23.443 4.517 1.00 45.34 C ATOM 517 CG LYS A 33 8.501 24.149 5.789 1.00 62.32 C ATOM 518 CD LYS A 33 7.330 24.550 6.691 1.00 60.22 C ATOM 519 CE LYS A 33 6.584 25.788 6.184 1.00 14.11 C ATOM 520 NZ LYS A 33 5.849 25.551 4.908 1.00 62.11 N ATOM 0 H LYS A 33 9.266 24.707 2.228 1.00 74.24 H new ATOM 0 HA LYS A 33 9.945 22.520 4.081 1.00 12.22 H new ATOM 0 HB2 LYS A 33 7.328 24.087 3.997 1.00 45.34 H new ATOM 0 HB3 LYS A 33 7.500 22.536 4.795 1.00 45.34 H new ATOM 0 HG2 LYS A 33 9.174 23.493 6.341 1.00 62.32 H new ATOM 0 HG3 LYS A 33 9.071 25.038 5.521 1.00 62.32 H new ATOM 0 HD2 LYS A 33 6.632 23.716 6.764 1.00 60.22 H new ATOM 0 HD3 LYS A 33 7.702 24.743 7.697 1.00 60.22 H new ATOM 0 HE2 LYS A 33 5.878 26.116 6.947 1.00 14.11 H new ATOM 0 HE3 LYS A 33 7.297 26.600 6.039 1.00 14.11 H new ATOM 0 HZ1 LYS A 33 4.984 26.128 4.893 1.00 62.11 H new ATOM 0 HZ2 LYS A 33 6.454 25.815 4.105 1.00 62.11 H new ATOM 0 HZ3 LYS A 33 5.596 24.545 4.835 1.00 62.11 H new ATOM 534 N ASP A 34 8.626 20.864 2.636 1.00 51.31 N ATOM 535 CA ASP A 34 8.038 19.915 1.679 1.00 64.32 C ATOM 536 C ASP A 34 6.684 19.389 2.178 1.00 14.54 C ATOM 537 O ASP A 34 6.285 19.637 3.317 1.00 50.13 O ATOM 538 CB ASP A 34 8.979 18.728 1.465 1.00 22.11 C ATOM 539 CG ASP A 34 10.406 19.155 1.196 1.00 50.44 C ATOM 540 OD1 ASP A 34 11.173 19.315 2.171 1.00 22.24 O ATOM 541 OD2 ASP A 34 10.777 19.315 0.011 1.00 11.21 O ATOM 0 H ASP A 34 9.048 20.427 3.455 1.00 51.31 H new ATOM 0 HA ASP A 34 7.888 20.447 0.739 1.00 64.32 H new ATOM 0 HB2 ASP A 34 8.956 18.088 2.347 1.00 22.11 H new ATOM 0 HB3 ASP A 34 8.619 18.130 0.628 1.00 22.11 H new ATOM 546 N TYR A 35 5.983 18.656 1.315 1.00 33.13 N ATOM 547 CA TYR A 35 4.750 17.958 1.701 1.00 70.44 C ATOM 548 C TYR A 35 4.985 16.440 1.707 1.00 20.41 C ATOM 549 O TYR A 35 5.793 15.934 0.934 1.00 11.52 O ATOM 550 CB TYR A 35 3.605 18.335 0.749 1.00 73.24 C ATOM 551 CG TYR A 35 3.287 19.819 0.780 1.00 41.30 C ATOM 552 CD1 TYR A 35 2.425 20.346 1.738 1.00 34.43 C ATOM 553 CD2 TYR A 35 3.869 20.697 -0.130 1.00 2.10 C ATOM 554 CE1 TYR A 35 2.152 21.701 1.783 1.00 21.53 C ATOM 555 CE2 TYR A 35 3.603 22.052 -0.085 1.00 75.42 C ATOM 556 CZ TYR A 35 2.744 22.549 0.870 1.00 61.14 C ATOM 557 OH TYR A 35 2.485 23.904 0.922 1.00 4.23 O ATOM 0 H TYR A 35 6.247 18.527 0.338 1.00 33.13 H new ATOM 0 HA TYR A 35 4.467 18.264 2.708 1.00 70.44 H new ATOM 0 HB2 TYR A 35 3.872 18.045 -0.267 1.00 73.24 H new ATOM 0 HB3 TYR A 35 2.713 17.770 1.018 1.00 73.24 H new ATOM 0 HD1 TYR A 35 1.962 19.686 2.457 1.00 34.43 H new ATOM 0 HD2 TYR A 35 4.540 20.312 -0.884 1.00 2.10 H new ATOM 0 HE1 TYR A 35 1.478 22.094 2.530 1.00 21.53 H new ATOM 0 HE2 TYR A 35 4.067 22.719 -0.796 1.00 75.42 H new ATOM 0 HH TYR A 35 2.981 24.359 0.210 1.00 4.23 H new ATOM 567 N GLU A 36 4.291 15.716 2.580 1.00 4.21 N ATOM 568 CA GLU A 36 4.562 14.283 2.774 1.00 34.32 C ATOM 569 C GLU A 36 3.287 13.431 2.696 1.00 5.04 C ATOM 570 O GLU A 36 2.207 13.865 3.101 1.00 34.23 O ATOM 571 CB GLU A 36 5.248 14.077 4.130 1.00 23.41 C ATOM 572 CG GLU A 36 5.636 12.632 4.426 1.00 25.30 C ATOM 573 CD GLU A 36 6.250 12.467 5.806 1.00 71.44 C ATOM 574 OE1 GLU A 36 5.492 12.275 6.780 1.00 53.22 O ATOM 575 OE2 GLU A 36 7.492 12.530 5.925 1.00 41.35 O ATOM 0 H GLU A 36 3.541 16.088 3.163 1.00 4.21 H new ATOM 0 HA GLU A 36 5.216 13.955 1.966 1.00 34.32 H new ATOM 0 HB2 GLU A 36 6.144 14.696 4.168 1.00 23.41 H new ATOM 0 HB3 GLU A 36 4.583 14.431 4.918 1.00 23.41 H new ATOM 0 HG2 GLU A 36 4.753 11.998 4.346 1.00 25.30 H new ATOM 0 HG3 GLU A 36 6.345 12.288 3.673 1.00 25.30 H new ATOM 582 N TYR A 37 3.429 12.208 2.179 1.00 45.21 N ATOM 583 CA TYR A 37 2.307 11.271 2.051 1.00 55.42 C ATOM 584 C TYR A 37 2.643 9.888 2.636 1.00 5.21 C ATOM 585 O TYR A 37 3.468 9.151 2.089 1.00 21.22 O ATOM 586 CB TYR A 37 1.901 11.125 0.578 1.00 14.42 C ATOM 587 CG TYR A 37 1.239 12.363 0.010 1.00 62.44 C ATOM 588 CD1 TYR A 37 -0.133 12.550 0.133 1.00 53.34 C ATOM 589 CD2 TYR A 37 1.980 13.344 -0.642 1.00 72.34 C ATOM 590 CE1 TYR A 37 -0.748 13.675 -0.376 1.00 12.31 C ATOM 591 CE2 TYR A 37 1.368 14.474 -1.152 1.00 42.22 C ATOM 592 CZ TYR A 37 0.005 14.632 -1.016 1.00 21.03 C ATOM 593 OH TYR A 37 -0.611 15.749 -1.524 1.00 45.43 O ATOM 0 H TYR A 37 4.318 11.840 1.839 1.00 45.21 H new ATOM 0 HA TYR A 37 1.474 11.683 2.621 1.00 55.42 H new ATOM 0 HB2 TYR A 37 2.786 10.892 -0.014 1.00 14.42 H new ATOM 0 HB3 TYR A 37 1.220 10.280 0.479 1.00 14.42 H new ATOM 0 HD1 TYR A 37 -0.728 11.802 0.636 1.00 53.34 H new ATOM 0 HD2 TYR A 37 3.047 13.221 -0.751 1.00 72.34 H new ATOM 0 HE1 TYR A 37 -1.815 13.804 -0.273 1.00 12.31 H new ATOM 0 HE2 TYR A 37 1.955 15.229 -1.654 1.00 42.22 H new ATOM 0 HH TYR A 37 -1.079 16.221 -0.804 1.00 45.43 H new ATOM 603 N LYS A 38 2.012 9.559 3.761 1.00 72.20 N ATOM 604 CA LYS A 38 2.083 8.213 4.345 1.00 22.04 C ATOM 605 C LYS A 38 0.779 7.457 4.046 1.00 31.31 C ATOM 606 O LYS A 38 -0.268 7.760 4.623 1.00 20.11 O ATOM 607 CB LYS A 38 2.303 8.298 5.862 1.00 15.31 C ATOM 608 CG LYS A 38 2.323 6.942 6.562 1.00 52.44 C ATOM 609 CD LYS A 38 2.355 7.088 8.080 1.00 22.50 C ATOM 610 CE LYS A 38 2.297 5.735 8.778 1.00 43.35 C ATOM 611 NZ LYS A 38 2.242 5.882 10.256 1.00 62.13 N ATOM 0 H LYS A 38 1.438 10.212 4.295 1.00 72.20 H new ATOM 0 HA LYS A 38 2.924 7.678 3.903 1.00 22.04 H new ATOM 0 HB2 LYS A 38 3.247 8.809 6.054 1.00 15.31 H new ATOM 0 HB3 LYS A 38 1.514 8.910 6.300 1.00 15.31 H new ATOM 0 HG2 LYS A 38 1.442 6.370 6.270 1.00 52.44 H new ATOM 0 HG3 LYS A 38 3.194 6.376 6.233 1.00 52.44 H new ATOM 0 HD2 LYS A 38 3.264 7.611 8.376 1.00 22.50 H new ATOM 0 HD3 LYS A 38 1.514 7.701 8.404 1.00 22.50 H new ATOM 0 HE2 LYS A 38 1.421 5.185 8.434 1.00 43.35 H new ATOM 0 HE3 LYS A 38 3.172 5.146 8.503 1.00 43.35 H new ATOM 0 HZ1 LYS A 38 2.203 4.941 10.697 1.00 62.13 H new ATOM 0 HZ2 LYS A 38 3.090 6.385 10.587 1.00 62.13 H new ATOM 0 HZ3 LYS A 38 1.394 6.423 10.520 1.00 62.13 H new ATOM 625 N LEU A 39 0.837 6.485 3.144 1.00 32.22 N ATOM 626 CA LEU A 39 -0.385 5.848 2.636 1.00 62.24 C ATOM 627 C LEU A 39 -0.219 4.342 2.375 1.00 12.54 C ATOM 628 O LEU A 39 0.877 3.856 2.087 1.00 73.02 O ATOM 629 CB LEU A 39 -0.843 6.585 1.362 1.00 55.22 C ATOM 630 CG LEU A 39 0.288 7.215 0.520 1.00 20.25 C ATOM 631 CD1 LEU A 39 1.195 6.148 -0.087 1.00 63.24 C ATOM 632 CD2 LEU A 39 -0.286 8.125 -0.565 1.00 44.33 C ATOM 0 H LEU A 39 1.704 6.120 2.749 1.00 32.22 H new ATOM 0 HA LEU A 39 -1.149 5.928 3.409 1.00 62.24 H new ATOM 0 HB2 LEU A 39 -1.393 5.884 0.734 1.00 55.22 H new ATOM 0 HB3 LEU A 39 -1.541 7.371 1.648 1.00 55.22 H new ATOM 0 HG LEU A 39 0.898 7.823 1.188 1.00 20.25 H new ATOM 0 HD11 LEU A 39 1.979 6.627 -0.673 1.00 63.24 H new ATOM 0 HD12 LEU A 39 1.647 5.558 0.710 1.00 63.24 H new ATOM 0 HD13 LEU A 39 0.607 5.495 -0.733 1.00 63.24 H new ATOM 0 HD21 LEU A 39 0.529 8.558 -1.146 1.00 44.33 H new ATOM 0 HD22 LEU A 39 -0.932 7.544 -1.223 1.00 44.33 H new ATOM 0 HD23 LEU A 39 -0.865 8.924 -0.101 1.00 44.33 H new ATOM 644 N THR A 40 -1.329 3.610 2.483 1.00 14.30 N ATOM 645 CA THR A 40 -1.345 2.159 2.241 1.00 1.51 C ATOM 646 C THR A 40 -1.898 1.829 0.846 1.00 62.34 C ATOM 647 O THR A 40 -2.935 2.355 0.442 1.00 21.13 O ATOM 648 CB THR A 40 -2.209 1.419 3.297 1.00 14.12 C ATOM 649 OG1 THR A 40 -1.727 1.697 4.621 1.00 35.24 O ATOM 650 CG2 THR A 40 -2.203 -0.089 3.068 1.00 14.13 C ATOM 0 H THR A 40 -2.237 3.998 2.738 1.00 14.30 H new ATOM 0 HA THR A 40 -0.311 1.822 2.313 1.00 1.51 H new ATOM 0 HB THR A 40 -3.231 1.782 3.193 1.00 14.12 H new ATOM 0 HG1 THR A 40 -2.282 1.226 5.277 1.00 35.24 H new ATOM 0 HG21 THR A 40 -2.818 -0.575 3.826 1.00 14.13 H new ATOM 0 HG22 THR A 40 -2.605 -0.308 2.079 1.00 14.13 H new ATOM 0 HG23 THR A 40 -1.181 -0.463 3.135 1.00 14.13 H new ATOM 658 N GLY A 41 -1.205 0.955 0.118 1.00 1.31 N ATOM 659 CA GLY A 41 -1.662 0.541 -1.207 1.00 61.04 C ATOM 660 C GLY A 41 -2.062 -0.926 -1.272 1.00 13.45 C ATOM 661 O GLY A 41 -1.461 -1.766 -0.602 1.00 34.13 O ATOM 0 H GLY A 41 -0.332 0.523 0.420 1.00 1.31 H new ATOM 0 HA2 GLY A 41 -2.513 1.156 -1.499 1.00 61.04 H new ATOM 0 HA3 GLY A 41 -0.870 0.727 -1.932 1.00 61.04 H new ATOM 665 N PHE A 42 -3.076 -1.231 -2.079 1.00 2.30 N ATOM 666 CA PHE A 42 -3.562 -2.607 -2.244 1.00 63.45 C ATOM 667 C PHE A 42 -3.421 -3.072 -3.702 1.00 3.53 C ATOM 668 O PHE A 42 -3.929 -2.425 -4.618 1.00 53.34 O ATOM 669 CB PHE A 42 -5.031 -2.714 -1.807 1.00 20.03 C ATOM 670 CG PHE A 42 -5.270 -2.380 -0.355 1.00 35.01 C ATOM 671 CD1 PHE A 42 -5.434 -1.063 0.052 1.00 70.12 C ATOM 672 CD2 PHE A 42 -5.336 -3.383 0.602 1.00 1.15 C ATOM 673 CE1 PHE A 42 -5.658 -0.755 1.379 1.00 45.15 C ATOM 674 CE2 PHE A 42 -5.563 -3.079 1.931 1.00 51.41 C ATOM 675 CZ PHE A 42 -5.725 -1.764 2.319 1.00 54.24 C ATOM 0 H PHE A 42 -3.583 -0.541 -2.634 1.00 2.30 H new ATOM 0 HA PHE A 42 -2.952 -3.253 -1.613 1.00 63.45 H new ATOM 0 HB2 PHE A 42 -5.632 -2.047 -2.425 1.00 20.03 H new ATOM 0 HB3 PHE A 42 -5.382 -3.728 -1.998 1.00 20.03 H new ATOM 0 HD1 PHE A 42 -5.386 -0.269 -0.679 1.00 70.12 H new ATOM 0 HD2 PHE A 42 -5.208 -4.413 0.305 1.00 1.15 H new ATOM 0 HE1 PHE A 42 -5.781 0.274 1.682 1.00 45.15 H new ATOM 0 HE2 PHE A 42 -5.614 -3.869 2.665 1.00 51.41 H new ATOM 0 HZ PHE A 42 -5.904 -1.525 3.357 1.00 54.24 H new ATOM 685 N ASP A 43 -2.732 -4.193 -3.909 1.00 31.11 N ATOM 686 CA ASP A 43 -2.537 -4.741 -5.258 1.00 42.31 C ATOM 687 C ASP A 43 -2.279 -6.263 -5.202 1.00 74.32 C ATOM 688 O ASP A 43 -2.328 -6.875 -4.129 1.00 74.10 O ATOM 689 CB ASP A 43 -1.372 -4.011 -5.959 1.00 31.40 C ATOM 690 CG ASP A 43 -1.436 -4.114 -7.479 1.00 52.21 C ATOM 691 OD1 ASP A 43 -2.092 -3.263 -8.109 1.00 60.32 O ATOM 692 OD2 ASP A 43 -0.853 -5.063 -8.048 1.00 54.11 O ATOM 0 H ASP A 43 -2.299 -4.741 -3.165 1.00 31.11 H new ATOM 0 HA ASP A 43 -3.448 -4.580 -5.835 1.00 42.31 H new ATOM 0 HB2 ASP A 43 -1.382 -2.960 -5.670 1.00 31.40 H new ATOM 0 HB3 ASP A 43 -0.427 -4.428 -5.611 1.00 31.40 H new ATOM 697 N LYS A 44 -2.053 -6.863 -6.373 1.00 35.55 N ATOM 698 CA LYS A 44 -1.743 -8.294 -6.505 1.00 53.52 C ATOM 699 C LYS A 44 -2.975 -9.164 -6.198 1.00 33.42 C ATOM 700 O LYS A 44 -3.649 -9.648 -7.112 1.00 55.25 O ATOM 701 CB LYS A 44 -0.540 -8.672 -5.608 1.00 5.11 C ATOM 702 CG LYS A 44 0.236 -9.919 -6.044 1.00 12.50 C ATOM 703 CD LYS A 44 -0.532 -11.212 -5.779 1.00 50.53 C ATOM 704 CE LYS A 44 0.262 -12.438 -6.214 1.00 73.53 C ATOM 705 NZ LYS A 44 -0.480 -13.699 -5.959 1.00 14.43 N ATOM 0 H LYS A 44 -2.079 -6.368 -7.265 1.00 35.55 H new ATOM 0 HA LYS A 44 -1.464 -8.489 -7.540 1.00 53.52 H new ATOM 0 HB2 LYS A 44 0.149 -7.828 -5.578 1.00 5.11 H new ATOM 0 HB3 LYS A 44 -0.901 -8.826 -4.591 1.00 5.11 H new ATOM 0 HG2 LYS A 44 0.463 -9.847 -7.108 1.00 12.50 H new ATOM 0 HG3 LYS A 44 1.189 -9.952 -5.516 1.00 12.50 H new ATOM 0 HD2 LYS A 44 -0.764 -11.287 -4.717 1.00 50.53 H new ATOM 0 HD3 LYS A 44 -1.483 -11.186 -6.311 1.00 50.53 H new ATOM 0 HE2 LYS A 44 0.494 -12.362 -7.276 1.00 73.53 H new ATOM 0 HE3 LYS A 44 1.213 -12.462 -5.681 1.00 73.53 H new ATOM 0 HZ1 LYS A 44 0.095 -14.509 -6.269 1.00 14.43 H new ATOM 0 HZ2 LYS A 44 -0.679 -13.785 -4.942 1.00 14.43 H new ATOM 0 HZ3 LYS A 44 -1.376 -13.688 -6.487 1.00 14.43 H new ATOM 719 N ASP A 45 -3.271 -9.354 -4.918 1.00 13.40 N ATOM 720 CA ASP A 45 -4.436 -10.140 -4.501 1.00 34.20 C ATOM 721 C ASP A 45 -4.840 -9.786 -3.061 1.00 54.51 C ATOM 722 O ASP A 45 -4.666 -10.576 -2.132 1.00 51.51 O ATOM 723 CB ASP A 45 -4.147 -11.643 -4.641 1.00 43.31 C ATOM 724 CG ASP A 45 -5.383 -12.494 -4.396 1.00 21.33 C ATOM 725 OD1 ASP A 45 -6.304 -12.471 -5.241 1.00 61.03 O ATOM 726 OD2 ASP A 45 -5.451 -13.180 -3.357 1.00 13.13 O ATOM 0 H ASP A 45 -2.722 -8.976 -4.146 1.00 13.40 H new ATOM 0 HA ASP A 45 -5.273 -9.894 -5.154 1.00 34.20 H new ATOM 0 HB2 ASP A 45 -3.762 -11.845 -5.640 1.00 43.31 H new ATOM 0 HB3 ASP A 45 -3.367 -11.928 -3.935 1.00 43.31 H new ATOM 731 N GLY A 46 -5.357 -8.575 -2.889 1.00 21.43 N ATOM 732 CA GLY A 46 -5.754 -8.102 -1.566 1.00 41.30 C ATOM 733 C GLY A 46 -4.571 -7.976 -0.611 1.00 71.51 C ATOM 734 O GLY A 46 -4.673 -8.304 0.572 1.00 75.12 O ATOM 0 H GLY A 46 -5.511 -7.906 -3.643 1.00 21.43 H new ATOM 0 HA2 GLY A 46 -6.244 -7.133 -1.662 1.00 41.30 H new ATOM 0 HA3 GLY A 46 -6.487 -8.789 -1.143 1.00 41.30 H new ATOM 738 N LYS A 47 -3.442 -7.507 -1.137 1.00 63.33 N ATOM 739 CA LYS A 47 -2.208 -7.369 -0.358 1.00 75.55 C ATOM 740 C LYS A 47 -1.860 -5.890 -0.160 1.00 65.21 C ATOM 741 O LYS A 47 -1.836 -5.118 -1.123 1.00 42.25 O ATOM 742 CB LYS A 47 -1.063 -8.098 -1.075 1.00 63.02 C ATOM 743 CG LYS A 47 -1.379 -9.555 -1.393 1.00 42.13 C ATOM 744 CD LYS A 47 -1.624 -10.372 -0.126 1.00 53.00 C ATOM 745 CE LYS A 47 -1.968 -11.824 -0.437 1.00 32.31 C ATOM 746 NZ LYS A 47 -2.295 -12.590 0.794 1.00 44.50 N ATOM 0 H LYS A 47 -3.354 -7.213 -2.110 1.00 63.33 H new ATOM 0 HA LYS A 47 -2.356 -7.817 0.625 1.00 75.55 H new ATOM 0 HB2 LYS A 47 -0.832 -7.573 -2.002 1.00 63.02 H new ATOM 0 HB3 LYS A 47 -0.169 -8.055 -0.453 1.00 63.02 H new ATOM 0 HG2 LYS A 47 -2.260 -9.604 -2.033 1.00 42.13 H new ATOM 0 HG3 LYS A 47 -0.553 -9.992 -1.953 1.00 42.13 H new ATOM 0 HD2 LYS A 47 -0.735 -10.338 0.504 1.00 53.00 H new ATOM 0 HD3 LYS A 47 -2.437 -9.921 0.444 1.00 53.00 H new ATOM 0 HE2 LYS A 47 -2.815 -11.858 -1.122 1.00 32.31 H new ATOM 0 HE3 LYS A 47 -1.127 -12.296 -0.946 1.00 32.31 H new ATOM 0 HZ1 LYS A 47 -2.523 -13.573 0.541 1.00 44.50 H new ATOM 0 HZ2 LYS A 47 -1.478 -12.579 1.437 1.00 44.50 H new ATOM 0 HZ3 LYS A 47 -3.113 -12.155 1.266 1.00 44.50 H new ATOM 760 N GLU A 48 -1.594 -5.501 1.086 1.00 4.33 N ATOM 761 CA GLU A 48 -1.344 -4.096 1.415 1.00 60.30 C ATOM 762 C GLU A 48 0.147 -3.808 1.642 1.00 44.33 C ATOM 763 O GLU A 48 0.938 -4.701 1.953 1.00 43.00 O ATOM 764 CB GLU A 48 -2.137 -3.670 2.665 1.00 24.45 C ATOM 765 CG GLU A 48 -1.569 -4.175 3.995 1.00 15.54 C ATOM 766 CD GLU A 48 -1.902 -5.631 4.289 1.00 72.21 C ATOM 767 OE1 GLU A 48 -1.265 -6.527 3.704 1.00 35.23 O ATOM 768 OE2 GLU A 48 -2.793 -5.878 5.132 1.00 71.43 O ATOM 0 H GLU A 48 -1.546 -6.136 1.883 1.00 4.33 H new ATOM 0 HA GLU A 48 -1.678 -3.516 0.555 1.00 60.30 H new ATOM 0 HB2 GLU A 48 -2.180 -2.581 2.696 1.00 24.45 H new ATOM 0 HB3 GLU A 48 -3.162 -4.027 2.566 1.00 24.45 H new ATOM 0 HG2 GLU A 48 -0.486 -4.054 3.987 1.00 15.54 H new ATOM 0 HG3 GLU A 48 -1.953 -3.553 4.804 1.00 15.54 H new ATOM 775 N LYS A 49 0.514 -2.543 1.475 1.00 63.25 N ATOM 776 CA LYS A 49 1.857 -2.062 1.809 1.00 64.05 C ATOM 777 C LYS A 49 1.839 -0.549 2.056 1.00 65.12 C ATOM 778 O LYS A 49 1.271 0.208 1.269 1.00 31.23 O ATOM 779 CB LYS A 49 2.855 -2.414 0.693 1.00 52.31 C ATOM 780 CG LYS A 49 4.272 -1.900 0.946 1.00 44.01 C ATOM 781 CD LYS A 49 5.275 -2.466 -0.055 1.00 32.24 C ATOM 782 CE LYS A 49 5.422 -3.980 0.084 1.00 24.45 C ATOM 783 NZ LYS A 49 5.989 -4.372 1.403 1.00 71.03 N ATOM 0 H LYS A 49 -0.105 -1.821 1.106 1.00 63.25 H new ATOM 0 HA LYS A 49 2.180 -2.558 2.724 1.00 64.05 H new ATOM 0 HB2 LYS A 49 2.887 -3.497 0.576 1.00 52.31 H new ATOM 0 HB3 LYS A 49 2.492 -2.002 -0.249 1.00 52.31 H new ATOM 0 HG2 LYS A 49 4.278 -0.812 0.889 1.00 44.01 H new ATOM 0 HG3 LYS A 49 4.579 -2.168 1.957 1.00 44.01 H new ATOM 0 HD2 LYS A 49 4.954 -2.223 -1.068 1.00 32.24 H new ATOM 0 HD3 LYS A 49 6.245 -1.991 0.094 1.00 32.24 H new ATOM 0 HE2 LYS A 49 4.448 -4.451 -0.045 1.00 24.45 H new ATOM 0 HE3 LYS A 49 6.065 -4.355 -0.712 1.00 24.45 H new ATOM 0 HZ1 LYS A 49 6.229 -5.384 1.391 1.00 71.03 H new ATOM 0 HZ2 LYS A 49 6.847 -3.815 1.591 1.00 71.03 H new ATOM 0 HZ3 LYS A 49 5.288 -4.191 2.150 1.00 71.03 H new ATOM 797 N GLU A 50 2.439 -0.111 3.158 1.00 53.33 N ATOM 798 CA GLU A 50 2.485 1.317 3.491 1.00 72.12 C ATOM 799 C GLU A 50 3.737 1.986 2.910 1.00 74.43 C ATOM 800 O GLU A 50 4.860 1.669 3.304 1.00 5.15 O ATOM 801 CB GLU A 50 2.432 1.509 5.013 1.00 71.21 C ATOM 802 CG GLU A 50 1.141 0.999 5.643 1.00 61.43 C ATOM 803 CD GLU A 50 1.056 1.272 7.135 1.00 11.01 C ATOM 804 OE1 GLU A 50 0.853 2.441 7.520 1.00 40.23 O ATOM 805 OE2 GLU A 50 1.185 0.318 7.930 1.00 5.11 O ATOM 0 H GLU A 50 2.900 -0.718 3.836 1.00 53.33 H new ATOM 0 HA GLU A 50 1.614 1.795 3.043 1.00 72.12 H new ATOM 0 HB2 GLU A 50 3.278 0.992 5.467 1.00 71.21 H new ATOM 0 HB3 GLU A 50 2.546 2.569 5.242 1.00 71.21 H new ATOM 0 HG2 GLU A 50 0.292 1.467 5.145 1.00 61.43 H new ATOM 0 HG3 GLU A 50 1.059 -0.074 5.471 1.00 61.43 H new ATOM 812 N LEU A 51 3.536 2.904 1.967 1.00 61.10 N ATOM 813 CA LEU A 51 4.643 3.625 1.325 1.00 3.22 C ATOM 814 C LEU A 51 4.783 5.049 1.885 1.00 12.51 C ATOM 815 O LEU A 51 3.812 5.646 2.358 1.00 14.43 O ATOM 816 CB LEU A 51 4.446 3.694 -0.205 1.00 1.30 C ATOM 817 CG LEU A 51 4.484 2.350 -0.961 1.00 63.33 C ATOM 818 CD1 LEU A 51 5.713 1.536 -0.569 1.00 34.52 C ATOM 819 CD2 LEU A 51 3.198 1.553 -0.741 1.00 22.33 C ATOM 0 H LEU A 51 2.612 3.170 1.626 1.00 61.10 H new ATOM 0 HA LEU A 51 5.555 3.070 1.544 1.00 3.22 H new ATOM 0 HB2 LEU A 51 3.487 4.172 -0.405 1.00 1.30 H new ATOM 0 HB3 LEU A 51 5.218 4.342 -0.620 1.00 1.30 H new ATOM 0 HG LEU A 51 4.556 2.570 -2.026 1.00 63.33 H new ATOM 0 HD11 LEU A 51 5.715 0.593 -1.117 1.00 34.52 H new ATOM 0 HD12 LEU A 51 6.615 2.099 -0.812 1.00 34.52 H new ATOM 0 HD13 LEU A 51 5.689 1.333 0.502 1.00 34.52 H new ATOM 0 HD21 LEU A 51 3.256 0.611 -1.287 1.00 22.33 H new ATOM 0 HD22 LEU A 51 3.074 1.349 0.323 1.00 22.33 H new ATOM 0 HD23 LEU A 51 2.346 2.130 -1.102 1.00 22.33 H new ATOM 831 N GLU A 52 6.002 5.584 1.824 1.00 41.21 N ATOM 832 CA GLU A 52 6.287 6.951 2.271 1.00 64.42 C ATOM 833 C GLU A 52 7.035 7.742 1.185 1.00 20.21 C ATOM 834 O GLU A 52 8.086 7.315 0.703 1.00 45.24 O ATOM 835 CB GLU A 52 7.121 6.927 3.566 1.00 53.10 C ATOM 836 CG GLU A 52 8.421 6.124 3.459 1.00 0.30 C ATOM 837 CD GLU A 52 9.238 6.137 4.745 1.00 54.24 C ATOM 838 OE1 GLU A 52 8.810 5.500 5.731 1.00 40.22 O ATOM 839 OE2 GLU A 52 10.318 6.770 4.769 1.00 24.13 O ATOM 0 H GLU A 52 6.817 5.087 1.466 1.00 41.21 H new ATOM 0 HA GLU A 52 5.336 7.446 2.466 1.00 64.42 H new ATOM 0 HB2 GLU A 52 7.362 7.952 3.849 1.00 53.10 H new ATOM 0 HB3 GLU A 52 6.514 6.509 4.369 1.00 53.10 H new ATOM 0 HG2 GLU A 52 8.184 5.093 3.196 1.00 0.30 H new ATOM 0 HG3 GLU A 52 9.025 6.529 2.647 1.00 0.30 H new ATOM 846 N PHE A 53 6.484 8.889 0.791 1.00 60.51 N ATOM 847 CA PHE A 53 7.147 9.771 -0.180 1.00 61.35 C ATOM 848 C PHE A 53 6.756 11.239 0.041 1.00 12.23 C ATOM 849 O PHE A 53 5.738 11.536 0.665 1.00 62.22 O ATOM 850 CB PHE A 53 6.831 9.342 -1.625 1.00 63.22 C ATOM 851 CG PHE A 53 5.379 9.476 -2.023 1.00 25.31 C ATOM 852 CD1 PHE A 53 4.480 8.448 -1.778 1.00 71.40 C ATOM 853 CD2 PHE A 53 4.917 10.625 -2.656 1.00 31.35 C ATOM 854 CE1 PHE A 53 3.155 8.563 -2.154 1.00 63.53 C ATOM 855 CE2 PHE A 53 3.594 10.743 -3.035 1.00 51.03 C ATOM 856 CZ PHE A 53 2.712 9.710 -2.783 1.00 3.51 C ATOM 0 H PHE A 53 5.584 9.232 1.125 1.00 60.51 H new ATOM 0 HA PHE A 53 8.222 9.679 -0.022 1.00 61.35 H new ATOM 0 HB2 PHE A 53 7.437 9.939 -2.307 1.00 63.22 H new ATOM 0 HB3 PHE A 53 7.134 8.303 -1.755 1.00 63.22 H new ATOM 0 HD1 PHE A 53 4.820 7.548 -1.288 1.00 71.40 H new ATOM 0 HD2 PHE A 53 5.602 11.436 -2.854 1.00 31.35 H new ATOM 0 HE1 PHE A 53 2.466 7.756 -1.956 1.00 63.53 H new ATOM 0 HE2 PHE A 53 3.250 11.641 -3.527 1.00 51.03 H new ATOM 0 HZ PHE A 53 1.677 9.799 -3.078 1.00 3.51 H new ATOM 866 N THR A 54 7.579 12.153 -0.468 1.00 70.50 N ATOM 867 CA THR A 54 7.316 13.594 -0.341 1.00 54.33 C ATOM 868 C THR A 54 7.063 14.238 -1.706 1.00 12.05 C ATOM 869 O THR A 54 7.574 13.780 -2.728 1.00 32.45 O ATOM 870 CB THR A 54 8.485 14.333 0.357 1.00 43.43 C ATOM 871 OG1 THR A 54 9.719 14.081 -0.334 1.00 62.13 O ATOM 872 CG2 THR A 54 8.613 13.899 1.814 1.00 35.32 C ATOM 0 H THR A 54 8.435 11.926 -0.973 1.00 70.50 H new ATOM 0 HA THR A 54 6.421 13.690 0.274 1.00 54.33 H new ATOM 0 HB THR A 54 8.270 15.401 0.330 1.00 43.43 H new ATOM 0 HG1 THR A 54 10.449 14.555 0.116 1.00 62.13 H new ATOM 0 HG21 THR A 54 9.441 14.432 2.281 1.00 35.32 H new ATOM 0 HG22 THR A 54 7.689 14.128 2.344 1.00 35.32 H new ATOM 0 HG23 THR A 54 8.801 12.826 1.859 1.00 35.32 H new ATOM 880 N ALA A 55 6.269 15.304 -1.717 1.00 60.04 N ATOM 881 CA ALA A 55 5.904 15.991 -2.957 1.00 25.43 C ATOM 882 C ALA A 55 6.076 17.512 -2.835 1.00 30.01 C ATOM 883 O ALA A 55 6.050 18.068 -1.734 1.00 62.33 O ATOM 884 CB ALA A 55 4.467 15.647 -3.340 1.00 12.23 C ATOM 0 H ALA A 55 5.862 15.715 -0.877 1.00 60.04 H new ATOM 0 HA ALA A 55 6.578 15.647 -3.742 1.00 25.43 H new ATOM 0 HB1 ALA A 55 4.203 16.162 -4.264 1.00 12.23 H new ATOM 0 HB2 ALA A 55 4.377 14.571 -3.487 1.00 12.23 H new ATOM 0 HB3 ALA A 55 3.793 15.962 -2.544 1.00 12.23 H new ATOM 890 N GLN A 56 6.252 18.176 -3.975 1.00 45.30 N ATOM 891 CA GLN A 56 6.420 19.634 -4.017 1.00 14.45 C ATOM 892 C GLN A 56 5.145 20.366 -3.569 1.00 74.45 C ATOM 893 O GLN A 56 5.207 21.435 -2.954 1.00 24.51 O ATOM 894 CB GLN A 56 6.794 20.072 -5.443 1.00 30.51 C ATOM 895 CG GLN A 56 6.958 21.580 -5.608 1.00 62.01 C ATOM 896 CD GLN A 56 7.275 21.984 -7.038 1.00 55.30 C ATOM 897 OE1 GLN A 56 6.381 22.254 -7.836 1.00 72.54 O ATOM 898 NE2 GLN A 56 8.547 22.024 -7.372 1.00 13.24 N ATOM 0 H GLN A 56 6.283 17.727 -4.890 1.00 45.30 H new ATOM 0 HA GLN A 56 7.219 19.899 -3.325 1.00 14.45 H new ATOM 0 HB2 GLN A 56 7.725 19.582 -5.730 1.00 30.51 H new ATOM 0 HB3 GLN A 56 6.025 19.723 -6.132 1.00 30.51 H new ATOM 0 HG2 GLN A 56 6.042 22.078 -5.289 1.00 62.01 H new ATOM 0 HG3 GLN A 56 7.755 21.928 -4.951 1.00 62.01 H new ATOM 0 HE21 GLN A 56 9.263 21.793 -6.683 1.00 13.24 H new ATOM 0 HE22 GLN A 56 8.817 22.286 -8.320 1.00 13.24 H new ATOM 907 N LYS A 57 3.995 19.779 -3.884 1.00 61.35 N ATOM 908 CA LYS A 57 2.691 20.385 -3.589 1.00 51.21 C ATOM 909 C LYS A 57 1.697 19.340 -3.070 1.00 25.55 C ATOM 910 O LYS A 57 1.982 18.141 -3.065 1.00 14.44 O ATOM 911 CB LYS A 57 2.121 21.040 -4.857 1.00 61.22 C ATOM 912 CG LYS A 57 2.884 22.277 -5.325 1.00 71.41 C ATOM 913 CD LYS A 57 2.488 22.678 -6.740 1.00 60.33 C ATOM 914 CE LYS A 57 0.982 22.883 -6.886 1.00 20.44 C ATOM 915 NZ LYS A 57 0.596 23.133 -8.302 1.00 11.32 N ATOM 0 H LYS A 57 3.935 18.873 -4.349 1.00 61.35 H new ATOM 0 HA LYS A 57 2.839 21.138 -2.815 1.00 51.21 H new ATOM 0 HB2 LYS A 57 2.118 20.304 -5.661 1.00 61.22 H new ATOM 0 HB3 LYS A 57 1.083 21.316 -4.673 1.00 61.22 H new ATOM 0 HG2 LYS A 57 2.689 23.105 -4.644 1.00 71.41 H new ATOM 0 HG3 LYS A 57 3.955 22.080 -5.288 1.00 71.41 H new ATOM 0 HD2 LYS A 57 3.005 23.598 -7.012 1.00 60.33 H new ATOM 0 HD3 LYS A 57 2.817 21.908 -7.438 1.00 60.33 H new ATOM 0 HE2 LYS A 57 0.457 22.002 -6.516 1.00 20.44 H new ATOM 0 HE3 LYS A 57 0.668 23.725 -6.269 1.00 20.44 H new ATOM 0 HZ1 LYS A 57 -0.433 23.268 -8.363 1.00 11.32 H new ATOM 0 HZ2 LYS A 57 1.078 23.987 -8.647 1.00 11.32 H new ATOM 0 HZ3 LYS A 57 0.874 22.319 -8.886 1.00 11.32 H new ATOM 929 N ASN A 58 0.528 19.806 -2.634 1.00 64.23 N ATOM 930 CA ASN A 58 -0.556 18.915 -2.221 1.00 0.03 C ATOM 931 C ASN A 58 -1.281 18.374 -3.465 1.00 73.44 C ATOM 932 O ASN A 58 -2.010 19.105 -4.136 1.00 44.41 O ATOM 933 CB ASN A 58 -1.537 19.667 -1.306 1.00 53.24 C ATOM 934 CG ASN A 58 -2.497 18.741 -0.577 1.00 75.12 C ATOM 935 OD1 ASN A 58 -2.156 17.613 -0.236 1.00 62.23 O ATOM 936 ND2 ASN A 58 -3.702 19.210 -0.328 1.00 3.51 N ATOM 0 H ASN A 58 0.306 20.799 -2.557 1.00 64.23 H new ATOM 0 HA ASN A 58 -0.142 18.075 -1.663 1.00 0.03 H new ATOM 0 HB2 ASN A 58 -0.973 20.245 -0.574 1.00 53.24 H new ATOM 0 HB3 ASN A 58 -2.109 20.378 -1.902 1.00 53.24 H new ATOM 0 HD21 ASN A 58 -4.384 18.631 0.162 1.00 3.51 H new ATOM 0 HD22 ASN A 58 -3.954 20.153 -0.625 1.00 3.51 H new ATOM 943 N LEU A 59 -1.054 17.099 -3.774 1.00 50.40 N ATOM 944 CA LEU A 59 -1.553 16.483 -5.009 1.00 72.12 C ATOM 945 C LEU A 59 -3.085 16.572 -5.137 1.00 13.41 C ATOM 946 O LEU A 59 -3.603 17.440 -5.842 1.00 30.13 O ATOM 947 CB LEU A 59 -1.093 15.018 -5.081 1.00 35.53 C ATOM 948 CG LEU A 59 0.422 14.796 -4.906 1.00 34.33 C ATOM 949 CD1 LEU A 59 0.768 13.311 -5.004 1.00 74.43 C ATOM 950 CD2 LEU A 59 1.210 15.610 -5.931 1.00 3.25 C ATOM 0 H LEU A 59 -0.522 16.463 -3.180 1.00 50.40 H new ATOM 0 HA LEU A 59 -1.135 17.042 -5.846 1.00 72.12 H new ATOM 0 HB2 LEU A 59 -1.618 14.451 -4.312 1.00 35.53 H new ATOM 0 HB3 LEU A 59 -1.395 14.606 -6.044 1.00 35.53 H new ATOM 0 HG LEU A 59 0.704 15.142 -3.912 1.00 34.33 H new ATOM 0 HD11 LEU A 59 1.843 13.179 -4.877 1.00 74.43 H new ATOM 0 HD12 LEU A 59 0.240 12.762 -4.224 1.00 74.43 H new ATOM 0 HD13 LEU A 59 0.468 12.931 -5.981 1.00 74.43 H new ATOM 0 HD21 LEU A 59 2.277 15.438 -5.789 1.00 3.25 H new ATOM 0 HD22 LEU A 59 0.924 15.303 -6.937 1.00 3.25 H new ATOM 0 HD23 LEU A 59 0.992 16.670 -5.799 1.00 3.25 H new ATOM 962 N ARG A 60 -3.800 15.670 -4.460 1.00 24.55 N ATOM 963 CA ARG A 60 -5.269 15.655 -4.489 1.00 54.40 C ATOM 964 C ARG A 60 -5.818 14.554 -3.561 1.00 4.31 C ATOM 965 O ARG A 60 -5.598 13.367 -3.792 1.00 20.43 O ATOM 966 CB ARG A 60 -5.776 15.469 -5.935 1.00 31.32 C ATOM 967 CG ARG A 60 -7.277 15.714 -6.114 1.00 42.41 C ATOM 968 CD ARG A 60 -8.092 14.426 -6.053 1.00 24.21 C ATOM 969 NE ARG A 60 -7.785 13.536 -7.174 1.00 34.04 N ATOM 970 CZ ARG A 60 -8.481 13.480 -8.277 1.00 32.30 C ATOM 971 NH1 ARG A 60 -9.475 14.285 -8.471 1.00 55.31 N ATOM 972 NH2 ARG A 60 -8.167 12.635 -9.200 1.00 42.35 N ATOM 0 H ARG A 60 -3.386 14.938 -3.883 1.00 24.55 H new ATOM 0 HA ARG A 60 -5.635 16.614 -4.123 1.00 54.40 H new ATOM 0 HB2 ARG A 60 -5.229 16.147 -6.589 1.00 31.32 H new ATOM 0 HB3 ARG A 60 -5.544 14.455 -6.261 1.00 31.32 H new ATOM 0 HG2 ARG A 60 -7.625 16.397 -5.339 1.00 42.41 H new ATOM 0 HG3 ARG A 60 -7.450 16.204 -7.072 1.00 42.41 H new ATOM 0 HD2 ARG A 60 -7.889 13.911 -5.114 1.00 24.21 H new ATOM 0 HD3 ARG A 60 -9.155 14.667 -6.061 1.00 24.21 H new ATOM 0 HE ARG A 60 -6.976 12.921 -7.088 1.00 34.04 H new ATOM 0 HH11 ARG A 60 -9.721 14.972 -7.758 1.00 55.31 H new ATOM 0 HH12 ARG A 60 -10.012 14.233 -9.337 1.00 55.31 H new ATOM 0 HH21 ARG A 60 -7.373 12.008 -9.069 1.00 42.35 H new ATOM 0 HH22 ARG A 60 -8.713 12.594 -10.061 1.00 42.35 H new ATOM 986 N LYS A 61 -6.535 14.964 -2.516 1.00 51.52 N ATOM 987 CA LYS A 61 -6.982 14.039 -1.460 1.00 35.21 C ATOM 988 C LYS A 61 -8.154 13.139 -1.895 1.00 31.01 C ATOM 989 O LYS A 61 -8.878 13.449 -2.843 1.00 21.53 O ATOM 990 CB LYS A 61 -7.379 14.834 -0.209 1.00 14.45 C ATOM 991 CG LYS A 61 -8.543 15.797 -0.432 1.00 10.41 C ATOM 992 CD LYS A 61 -8.887 16.582 0.832 1.00 70.03 C ATOM 993 CE LYS A 61 -9.310 15.666 1.975 1.00 32.20 C ATOM 994 NZ LYS A 61 -9.636 16.431 3.209 1.00 24.53 N ATOM 0 H LYS A 61 -6.823 15.932 -2.372 1.00 51.52 H new ATOM 0 HA LYS A 61 -6.141 13.380 -1.244 1.00 35.21 H new ATOM 0 HB2 LYS A 61 -7.645 14.135 0.584 1.00 14.45 H new ATOM 0 HB3 LYS A 61 -6.515 15.399 0.140 1.00 14.45 H new ATOM 0 HG2 LYS A 61 -8.290 16.492 -1.233 1.00 10.41 H new ATOM 0 HG3 LYS A 61 -9.419 15.237 -0.761 1.00 10.41 H new ATOM 0 HD2 LYS A 61 -8.023 17.171 1.140 1.00 70.03 H new ATOM 0 HD3 LYS A 61 -9.691 17.285 0.615 1.00 70.03 H new ATOM 0 HE2 LYS A 61 -10.179 15.082 1.670 1.00 32.20 H new ATOM 0 HE3 LYS A 61 -8.509 14.958 2.188 1.00 32.20 H new ATOM 0 HZ1 LYS A 61 -9.919 15.771 3.962 1.00 24.53 H new ATOM 0 HZ2 LYS A 61 -8.800 16.968 3.515 1.00 24.53 H new ATOM 0 HZ3 LYS A 61 -10.418 17.089 3.013 1.00 24.53 H new ATOM 1008 N GLU A 62 -8.305 12.008 -1.189 1.00 53.04 N ATOM 1009 CA GLU A 62 -9.453 11.092 -1.353 1.00 20.11 C ATOM 1010 C GLU A 62 -9.440 10.313 -2.683 1.00 45.51 C ATOM 1011 O GLU A 62 -10.347 9.517 -2.942 1.00 35.52 O ATOM 1012 CB GLU A 62 -10.775 11.859 -1.202 1.00 31.41 C ATOM 1013 CG GLU A 62 -10.983 12.460 0.185 1.00 71.22 C ATOM 1014 CD GLU A 62 -12.226 13.330 0.269 1.00 43.01 C ATOM 1015 OE1 GLU A 62 -13.346 12.782 0.263 1.00 22.14 O ATOM 1016 OE2 GLU A 62 -12.085 14.570 0.332 1.00 11.55 O ATOM 0 H GLU A 62 -7.634 11.699 -0.485 1.00 53.04 H new ATOM 0 HA GLU A 62 -9.362 10.348 -0.561 1.00 20.11 H new ATOM 0 HB2 GLU A 62 -10.807 12.658 -1.943 1.00 31.41 H new ATOM 0 HB3 GLU A 62 -11.603 11.185 -1.424 1.00 31.41 H new ATOM 0 HG2 GLU A 62 -11.058 11.656 0.917 1.00 71.22 H new ATOM 0 HG3 GLU A 62 -10.110 13.055 0.453 1.00 71.22 H new ATOM 1023 N ALA A 63 -8.425 10.529 -3.516 1.00 55.33 N ATOM 1024 CA ALA A 63 -8.312 9.811 -4.793 1.00 63.12 C ATOM 1025 C ALA A 63 -7.316 8.646 -4.703 1.00 63.13 C ATOM 1026 O ALA A 63 -6.616 8.485 -3.700 1.00 13.43 O ATOM 1027 CB ALA A 63 -7.901 10.768 -5.905 1.00 4.11 C ATOM 0 H ALA A 63 -7.670 11.191 -3.336 1.00 55.33 H new ATOM 0 HA ALA A 63 -9.292 9.394 -5.023 1.00 63.12 H new ATOM 0 HB1 ALA A 63 -7.821 10.221 -6.845 1.00 4.11 H new ATOM 0 HB2 ALA A 63 -8.650 11.553 -6.004 1.00 4.11 H new ATOM 0 HB3 ALA A 63 -6.937 11.215 -5.663 1.00 4.11 H new ATOM 1033 N PHE A 64 -7.256 7.842 -5.762 1.00 2.02 N ATOM 1034 CA PHE A 64 -6.327 6.712 -5.829 1.00 2.42 C ATOM 1035 C PHE A 64 -5.017 7.122 -6.512 1.00 74.44 C ATOM 1036 O PHE A 64 -4.964 8.111 -7.245 1.00 13.24 O ATOM 1037 CB PHE A 64 -6.970 5.535 -6.574 1.00 11.00 C ATOM 1038 CG PHE A 64 -8.157 4.948 -5.853 1.00 65.53 C ATOM 1039 CD1 PHE A 64 -7.986 3.930 -4.925 1.00 11.52 C ATOM 1040 CD2 PHE A 64 -9.441 5.418 -6.094 1.00 54.33 C ATOM 1041 CE1 PHE A 64 -9.068 3.394 -4.255 1.00 74.22 C ATOM 1042 CE2 PHE A 64 -10.526 4.884 -5.425 1.00 13.34 C ATOM 1043 CZ PHE A 64 -10.340 3.872 -4.505 1.00 43.44 C ATOM 0 H PHE A 64 -7.842 7.951 -6.590 1.00 2.02 H new ATOM 0 HA PHE A 64 -6.098 6.399 -4.810 1.00 2.42 H new ATOM 0 HB2 PHE A 64 -7.283 5.868 -7.563 1.00 11.00 H new ATOM 0 HB3 PHE A 64 -6.222 4.756 -6.722 1.00 11.00 H new ATOM 0 HD1 PHE A 64 -6.994 3.552 -4.724 1.00 11.52 H new ATOM 0 HD2 PHE A 64 -9.594 6.210 -6.812 1.00 54.33 H new ATOM 0 HE1 PHE A 64 -8.920 2.602 -3.536 1.00 74.22 H new ATOM 0 HE2 PHE A 64 -11.520 5.259 -5.622 1.00 13.34 H new ATOM 0 HZ PHE A 64 -11.187 3.454 -3.981 1.00 43.44 H new ATOM 1053 N LEU A 65 -3.959 6.360 -6.278 1.00 34.22 N ATOM 1054 CA LEU A 65 -2.639 6.718 -6.793 1.00 72.43 C ATOM 1055 C LEU A 65 -1.733 5.476 -6.907 1.00 34.12 C ATOM 1056 O LEU A 65 -1.546 4.739 -5.943 1.00 54.04 O ATOM 1057 CB LEU A 65 -2.024 7.787 -5.864 1.00 44.25 C ATOM 1058 CG LEU A 65 -0.818 8.572 -6.416 1.00 53.40 C ATOM 1059 CD1 LEU A 65 -0.615 9.865 -5.634 1.00 73.44 C ATOM 1060 CD2 LEU A 65 0.456 7.735 -6.368 1.00 42.05 C ATOM 0 H LEU A 65 -3.984 5.495 -5.739 1.00 34.22 H new ATOM 0 HA LEU A 65 -2.734 7.127 -7.799 1.00 72.43 H new ATOM 0 HB2 LEU A 65 -2.805 8.502 -5.604 1.00 44.25 H new ATOM 0 HB3 LEU A 65 -1.718 7.298 -4.939 1.00 44.25 H new ATOM 0 HG LEU A 65 -1.033 8.814 -7.457 1.00 53.40 H new ATOM 0 HD11 LEU A 65 0.241 10.405 -6.039 1.00 73.44 H new ATOM 0 HD12 LEU A 65 -1.508 10.485 -5.718 1.00 73.44 H new ATOM 0 HD13 LEU A 65 -0.433 9.631 -4.585 1.00 73.44 H new ATOM 0 HD21 LEU A 65 1.289 8.316 -6.764 1.00 42.05 H new ATOM 0 HD22 LEU A 65 0.668 7.454 -5.336 1.00 42.05 H new ATOM 0 HD23 LEU A 65 0.323 6.836 -6.969 1.00 42.05 H new ATOM 1072 N ARG A 66 -1.179 5.248 -8.095 1.00 54.33 N ATOM 1073 CA ARG A 66 -0.259 4.126 -8.323 1.00 71.15 C ATOM 1074 C ARG A 66 1.157 4.466 -7.837 1.00 44.44 C ATOM 1075 O ARG A 66 1.870 5.246 -8.469 1.00 4.30 O ATOM 1076 CB ARG A 66 -0.211 3.764 -9.819 1.00 3.45 C ATOM 1077 CG ARG A 66 0.915 2.787 -10.176 1.00 64.40 C ATOM 1078 CD ARG A 66 1.089 2.624 -11.681 1.00 44.13 C ATOM 1079 NE ARG A 66 0.000 1.868 -12.288 1.00 42.43 N ATOM 1080 CZ ARG A 66 -0.270 1.865 -13.562 1.00 2.33 C ATOM 1081 NH1 ARG A 66 0.387 2.622 -14.386 1.00 53.55 N ATOM 1082 NH2 ARG A 66 -1.216 1.115 -14.009 1.00 55.41 N ATOM 0 H ARG A 66 -1.349 5.824 -8.919 1.00 54.33 H new ATOM 0 HA ARG A 66 -0.631 3.273 -7.755 1.00 71.15 H new ATOM 0 HB2 ARG A 66 -1.166 3.327 -10.110 1.00 3.45 H new ATOM 0 HB3 ARG A 66 -0.088 4.677 -10.402 1.00 3.45 H new ATOM 0 HG2 ARG A 66 1.850 3.140 -9.741 1.00 64.40 H new ATOM 0 HG3 ARG A 66 0.704 1.815 -9.730 1.00 64.40 H new ATOM 0 HD2 ARG A 66 1.148 3.608 -12.146 1.00 44.13 H new ATOM 0 HD3 ARG A 66 2.034 2.120 -11.882 1.00 44.13 H new ATOM 0 HE ARG A 66 -0.589 1.305 -11.675 1.00 42.43 H new ATOM 0 HH11 ARG A 66 1.128 3.231 -14.039 1.00 53.55 H new ATOM 0 HH12 ARG A 66 0.163 2.608 -15.381 1.00 53.55 H new ATOM 0 HH21 ARG A 66 -1.748 0.528 -13.367 1.00 55.41 H new ATOM 0 HH22 ARG A 66 -1.433 1.107 -15.006 1.00 55.41 H new ATOM 1096 N VAL A 67 1.560 3.888 -6.713 1.00 35.14 N ATOM 1097 CA VAL A 67 2.923 4.065 -6.210 1.00 20.11 C ATOM 1098 C VAL A 67 3.839 2.948 -6.715 1.00 51.42 C ATOM 1099 O VAL A 67 3.518 1.763 -6.605 1.00 12.55 O ATOM 1100 CB VAL A 67 2.959 4.119 -4.663 1.00 3.34 C ATOM 1101 CG1 VAL A 67 4.390 4.250 -4.152 1.00 71.43 C ATOM 1102 CG2 VAL A 67 2.100 5.271 -4.149 1.00 30.13 C ATOM 0 H VAL A 67 0.968 3.294 -6.132 1.00 35.14 H new ATOM 0 HA VAL A 67 3.285 5.020 -6.591 1.00 20.11 H new ATOM 0 HB VAL A 67 2.550 3.183 -4.283 1.00 3.34 H new ATOM 0 HG11 VAL A 67 4.385 4.286 -3.063 1.00 71.43 H new ATOM 0 HG12 VAL A 67 4.975 3.393 -4.485 1.00 71.43 H new ATOM 0 HG13 VAL A 67 4.834 5.166 -4.543 1.00 71.43 H new ATOM 0 HG21 VAL A 67 2.137 5.294 -3.060 1.00 30.13 H new ATOM 0 HG22 VAL A 67 2.480 6.213 -4.545 1.00 30.13 H new ATOM 0 HG23 VAL A 67 1.069 5.130 -4.474 1.00 30.13 H new ATOM 1112 N TYR A 68 4.974 3.341 -7.277 1.00 12.23 N ATOM 1113 CA TYR A 68 5.909 2.398 -7.888 1.00 42.32 C ATOM 1114 C TYR A 68 6.928 1.877 -6.861 1.00 75.33 C ATOM 1115 O TYR A 68 7.802 2.620 -6.407 1.00 4.23 O ATOM 1116 CB TYR A 68 6.631 3.084 -9.050 1.00 61.13 C ATOM 1117 CG TYR A 68 7.246 2.116 -10.029 1.00 73.23 C ATOM 1118 CD1 TYR A 68 8.508 1.585 -9.815 1.00 2.14 C ATOM 1119 CD2 TYR A 68 6.554 1.737 -11.170 1.00 13.05 C ATOM 1120 CE1 TYR A 68 9.065 0.697 -10.714 1.00 63.13 C ATOM 1121 CE2 TYR A 68 7.103 0.849 -12.074 1.00 62.23 C ATOM 1122 CZ TYR A 68 8.359 0.333 -11.843 1.00 11.23 C ATOM 1123 OH TYR A 68 8.909 -0.553 -12.740 1.00 64.13 O ATOM 0 H TYR A 68 5.274 4.315 -7.324 1.00 12.23 H new ATOM 0 HA TYR A 68 5.347 1.541 -8.259 1.00 42.32 H new ATOM 0 HB2 TYR A 68 5.925 3.725 -9.579 1.00 61.13 H new ATOM 0 HB3 TYR A 68 7.412 3.731 -8.651 1.00 61.13 H new ATOM 0 HD1 TYR A 68 9.063 1.869 -8.933 1.00 2.14 H new ATOM 0 HD2 TYR A 68 5.570 2.143 -11.354 1.00 13.05 H new ATOM 0 HE1 TYR A 68 10.049 0.289 -10.535 1.00 63.13 H new ATOM 0 HE2 TYR A 68 6.551 0.561 -12.956 1.00 62.23 H new ATOM 0 HH TYR A 68 8.282 -0.703 -13.478 1.00 64.13 H new ATOM 1133 N HIS A 69 6.827 0.592 -6.524 1.00 21.13 N ATOM 1134 CA HIS A 69 7.633 0.004 -5.449 1.00 21.31 C ATOM 1135 C HIS A 69 8.864 -0.757 -5.980 1.00 14.31 C ATOM 1136 O HIS A 69 8.739 -1.709 -6.747 1.00 65.21 O ATOM 1137 CB HIS A 69 6.760 -0.934 -4.607 1.00 54.24 C ATOM 1138 CG HIS A 69 7.475 -1.539 -3.437 1.00 45.43 C ATOM 1139 ND1 HIS A 69 7.859 -2.860 -3.393 1.00 52.32 N ATOM 1140 CD2 HIS A 69 7.862 -1.001 -2.255 1.00 22.20 C ATOM 1141 CE1 HIS A 69 8.445 -3.111 -2.242 1.00 1.33 C ATOM 1142 NE2 HIS A 69 8.461 -2.002 -1.532 1.00 62.22 N ATOM 0 H HIS A 69 6.194 -0.065 -6.980 1.00 21.13 H new ATOM 0 HA HIS A 69 8.006 0.823 -4.834 1.00 21.31 H new ATOM 0 HB2 HIS A 69 5.893 -0.381 -4.245 1.00 54.24 H new ATOM 0 HB3 HIS A 69 6.384 -1.734 -5.244 1.00 54.24 H new ATOM 0 HD2 HIS A 69 7.725 0.023 -1.941 1.00 22.20 H new ATOM 0 HE1 HIS A 69 8.845 -4.065 -1.932 1.00 1.33 H new ATOM 0 HE2 HIS A 69 8.855 -1.903 -0.596 1.00 62.22 H new ATOM 1151 N SER A 70 10.050 -0.331 -5.544 1.00 54.22 N ATOM 1152 CA SER A 70 11.313 -1.010 -5.888 1.00 44.31 C ATOM 1153 C SER A 70 11.922 -1.710 -4.664 1.00 53.31 C ATOM 1154 O SER A 70 11.530 -1.440 -3.528 1.00 3.23 O ATOM 1155 CB SER A 70 12.329 -0.014 -6.465 1.00 73.11 C ATOM 1156 OG SER A 70 11.930 0.448 -7.745 1.00 62.20 O ATOM 0 H SER A 70 10.169 0.487 -4.947 1.00 54.22 H new ATOM 0 HA SER A 70 11.081 -1.762 -6.642 1.00 44.31 H new ATOM 0 HB2 SER A 70 12.436 0.833 -5.788 1.00 73.11 H new ATOM 0 HB3 SER A 70 13.307 -0.490 -6.537 1.00 73.11 H new ATOM 0 HG SER A 70 11.704 1.400 -7.693 1.00 62.20 H new ATOM 1162 N ASP A 71 12.896 -2.593 -4.906 1.00 74.43 N ATOM 1163 CA ASP A 71 13.508 -3.406 -3.843 1.00 1.03 C ATOM 1164 C ASP A 71 14.074 -2.558 -2.684 1.00 62.35 C ATOM 1165 O ASP A 71 13.513 -2.533 -1.585 1.00 4.44 O ATOM 1166 CB ASP A 71 14.618 -4.286 -4.431 1.00 30.14 C ATOM 1167 CG ASP A 71 14.093 -5.283 -5.449 1.00 32.21 C ATOM 1168 OD1 ASP A 71 13.710 -6.404 -5.049 1.00 24.25 O ATOM 1169 OD2 ASP A 71 14.075 -4.956 -6.653 1.00 21.02 O ATOM 0 H ASP A 71 13.282 -2.766 -5.834 1.00 74.43 H new ATOM 0 HA ASP A 71 12.715 -4.027 -3.426 1.00 1.03 H new ATOM 0 HB2 ASP A 71 15.369 -3.652 -4.902 1.00 30.14 H new ATOM 0 HB3 ASP A 71 15.116 -4.824 -3.624 1.00 30.14 H new ATOM 1174 N LYS A 72 15.191 -1.870 -2.924 1.00 64.10 N ATOM 1175 CA LYS A 72 15.859 -1.103 -1.863 1.00 75.41 C ATOM 1176 C LYS A 72 15.449 0.377 -1.877 1.00 5.34 C ATOM 1177 O LYS A 72 15.458 1.038 -0.837 1.00 3.02 O ATOM 1178 CB LYS A 72 17.386 -1.229 -1.981 1.00 4.44 C ATOM 1179 CG LYS A 72 17.970 -0.651 -3.268 1.00 23.32 C ATOM 1180 CD LYS A 72 19.498 -0.699 -3.259 1.00 71.25 C ATOM 1181 CE LYS A 72 20.102 -0.059 -4.504 1.00 0.51 C ATOM 1182 NZ LYS A 72 21.587 0.001 -4.424 1.00 42.42 N ATOM 0 H LYS A 72 15.651 -1.826 -3.833 1.00 64.10 H new ATOM 0 HA LYS A 72 15.538 -1.527 -0.911 1.00 75.41 H new ATOM 0 HB2 LYS A 72 17.846 -0.727 -1.130 1.00 4.44 H new ATOM 0 HB3 LYS A 72 17.657 -2.283 -1.915 1.00 4.44 H new ATOM 0 HG2 LYS A 72 17.592 -1.210 -4.124 1.00 23.32 H new ATOM 0 HG3 LYS A 72 17.638 0.380 -3.389 1.00 23.32 H new ATOM 0 HD2 LYS A 72 19.871 -0.187 -2.372 1.00 71.25 H new ATOM 0 HD3 LYS A 72 19.827 -1.736 -3.190 1.00 71.25 H new ATOM 0 HE2 LYS A 72 19.807 -0.628 -5.386 1.00 0.51 H new ATOM 0 HE3 LYS A 72 19.703 0.948 -4.626 1.00 0.51 H new ATOM 0 HZ1 LYS A 72 21.964 0.442 -5.287 1.00 42.42 H new ATOM 0 HZ2 LYS A 72 21.868 0.565 -3.596 1.00 42.42 H new ATOM 0 HZ3 LYS A 72 21.969 -0.962 -4.332 1.00 42.42 H new ATOM 1196 N LYS A 73 15.091 0.895 -3.049 1.00 51.25 N ATOM 1197 CA LYS A 73 14.675 2.302 -3.176 1.00 24.44 C ATOM 1198 C LYS A 73 13.303 2.557 -2.525 1.00 4.13 C ATOM 1199 O LYS A 73 12.983 3.681 -2.134 1.00 32.34 O ATOM 1200 CB LYS A 73 14.630 2.708 -4.658 1.00 74.44 C ATOM 1201 CG LYS A 73 14.165 4.145 -4.894 1.00 11.02 C ATOM 1202 CD LYS A 73 14.094 4.488 -6.379 1.00 72.21 C ATOM 1203 CE LYS A 73 15.472 4.524 -7.028 1.00 3.41 C ATOM 1204 NZ LYS A 73 16.318 5.617 -6.483 1.00 50.20 N ATOM 0 H LYS A 73 15.078 0.371 -3.924 1.00 51.25 H new ATOM 0 HA LYS A 73 15.412 2.909 -2.650 1.00 24.44 H new ATOM 0 HB2 LYS A 73 15.623 2.583 -5.089 1.00 74.44 H new ATOM 0 HB3 LYS A 73 13.964 2.029 -5.190 1.00 74.44 H new ATOM 0 HG2 LYS A 73 13.183 4.287 -4.442 1.00 11.02 H new ATOM 0 HG3 LYS A 73 14.848 4.833 -4.396 1.00 11.02 H new ATOM 0 HD2 LYS A 73 13.472 3.753 -6.891 1.00 72.21 H new ATOM 0 HD3 LYS A 73 13.610 5.457 -6.504 1.00 72.21 H new ATOM 0 HE2 LYS A 73 15.971 3.568 -6.872 1.00 3.41 H new ATOM 0 HE3 LYS A 73 15.362 4.654 -8.105 1.00 3.41 H new ATOM 0 HZ1 LYS A 73 17.159 5.737 -7.083 1.00 50.20 H new ATOM 0 HZ2 LYS A 73 15.774 6.503 -6.469 1.00 50.20 H new ATOM 0 HZ3 LYS A 73 16.614 5.377 -5.515 1.00 50.20 H new ATOM 1218 N GLY A 74 12.501 1.506 -2.400 1.00 62.11 N ATOM 1219 CA GLY A 74 11.147 1.657 -1.886 1.00 21.43 C ATOM 1220 C GLY A 74 10.188 2.224 -2.928 1.00 13.44 C ATOM 1221 O GLY A 74 9.330 1.507 -3.439 1.00 3.13 O ATOM 0 H GLY A 74 12.762 0.551 -2.645 1.00 62.11 H new ATOM 0 HA2 GLY A 74 10.780 0.688 -1.548 1.00 21.43 H new ATOM 0 HA3 GLY A 74 11.163 2.313 -1.016 1.00 21.43 H new ATOM 1225 N VAL A 75 10.345 3.507 -3.259 1.00 25.34 N ATOM 1226 CA VAL A 75 9.480 4.169 -4.250 1.00 45.42 C ATOM 1227 C VAL A 75 10.295 4.917 -5.320 1.00 55.41 C ATOM 1228 O VAL A 75 11.036 5.856 -5.018 1.00 13.13 O ATOM 1229 CB VAL A 75 8.492 5.154 -3.571 1.00 42.02 C ATOM 1230 CG1 VAL A 75 7.687 5.935 -4.611 1.00 14.25 C ATOM 1231 CG2 VAL A 75 7.561 4.397 -2.628 1.00 41.34 C ATOM 0 H VAL A 75 11.062 4.112 -2.858 1.00 25.34 H new ATOM 0 HA VAL A 75 8.914 3.377 -4.740 1.00 45.42 H new ATOM 0 HB VAL A 75 9.071 5.873 -2.992 1.00 42.02 H new ATOM 0 HG11 VAL A 75 7.004 6.617 -4.105 1.00 14.25 H new ATOM 0 HG12 VAL A 75 8.367 6.506 -5.244 1.00 14.25 H new ATOM 0 HG13 VAL A 75 7.116 5.240 -5.226 1.00 14.25 H new ATOM 0 HG21 VAL A 75 6.872 5.098 -2.157 1.00 41.34 H new ATOM 0 HG22 VAL A 75 6.995 3.656 -3.193 1.00 41.34 H new ATOM 0 HG23 VAL A 75 8.150 3.896 -1.860 1.00 41.34 H new ATOM 1241 N SER A 76 10.143 4.494 -6.574 1.00 31.42 N ATOM 1242 CA SER A 76 10.839 5.128 -7.704 1.00 24.15 C ATOM 1243 C SER A 76 10.031 6.297 -8.281 1.00 41.53 C ATOM 1244 O SER A 76 10.589 7.334 -8.642 1.00 12.32 O ATOM 1245 CB SER A 76 11.110 4.104 -8.815 1.00 71.03 C ATOM 1246 OG SER A 76 11.933 3.046 -8.354 1.00 13.14 O ATOM 0 H SER A 76 9.543 3.713 -6.839 1.00 31.42 H new ATOM 0 HA SER A 76 11.785 5.514 -7.323 1.00 24.15 H new ATOM 0 HB2 SER A 76 10.165 3.700 -9.178 1.00 71.03 H new ATOM 0 HB3 SER A 76 11.590 4.599 -9.659 1.00 71.03 H new ATOM 0 HG SER A 76 12.217 2.498 -9.115 1.00 13.14 H new ATOM 1252 N ALA A 77 8.716 6.118 -8.369 1.00 12.43 N ATOM 1253 CA ALA A 77 7.826 7.133 -8.945 1.00 51.51 C ATOM 1254 C ALA A 77 6.373 6.893 -8.517 1.00 3.41 C ATOM 1255 O ALA A 77 6.081 5.943 -7.787 1.00 51.24 O ATOM 1256 CB ALA A 77 7.941 7.129 -10.467 1.00 53.44 C ATOM 0 H ALA A 77 8.237 5.277 -8.048 1.00 12.43 H new ATOM 0 HA ALA A 77 8.131 8.110 -8.571 1.00 51.51 H new ATOM 0 HB1 ALA A 77 7.277 7.886 -10.884 1.00 53.44 H new ATOM 0 HB2 ALA A 77 8.969 7.350 -10.755 1.00 53.44 H new ATOM 0 HB3 ALA A 77 7.660 6.148 -10.851 1.00 53.44 H new ATOM 1262 N TRP A 78 5.463 7.749 -8.975 1.00 64.52 N ATOM 1263 CA TRP A 78 4.043 7.624 -8.630 1.00 13.02 C ATOM 1264 C TRP A 78 3.133 8.280 -9.686 1.00 43.33 C ATOM 1265 O TRP A 78 3.490 9.292 -10.288 1.00 1.10 O ATOM 1266 CB TRP A 78 3.778 8.219 -7.233 1.00 13.45 C ATOM 1267 CG TRP A 78 4.428 9.554 -6.983 1.00 34.44 C ATOM 1268 CD1 TRP A 78 5.620 9.776 -6.349 1.00 14.22 C ATOM 1269 CD2 TRP A 78 3.923 10.849 -7.345 1.00 13.44 C ATOM 1270 NE1 TRP A 78 5.888 11.121 -6.297 1.00 60.30 N ATOM 1271 CE2 TRP A 78 4.863 11.801 -6.901 1.00 53.43 C ATOM 1272 CE3 TRP A 78 2.772 11.296 -7.997 1.00 74.43 C ATOM 1273 CZ2 TRP A 78 4.689 13.168 -7.093 1.00 14.32 C ATOM 1274 CZ3 TRP A 78 2.599 12.654 -8.189 1.00 11.51 C ATOM 1275 CH2 TRP A 78 3.553 13.576 -7.736 1.00 21.20 C ATOM 0 H TRP A 78 5.680 8.537 -9.585 1.00 64.52 H new ATOM 0 HA TRP A 78 3.800 6.562 -8.613 1.00 13.02 H new ATOM 0 HB2 TRP A 78 2.702 8.323 -7.096 1.00 13.45 H new ATOM 0 HB3 TRP A 78 4.129 7.513 -6.480 1.00 13.45 H new ATOM 0 HD1 TRP A 78 6.259 9.003 -5.947 1.00 14.22 H new ATOM 0 HE1 TRP A 78 6.715 11.545 -5.877 1.00 60.30 H new ATOM 0 HE3 TRP A 78 2.030 10.593 -8.345 1.00 74.43 H new ATOM 0 HZ2 TRP A 78 5.424 13.880 -6.747 1.00 14.32 H new ATOM 0 HZ3 TRP A 78 1.715 13.010 -8.696 1.00 11.51 H new ATOM 0 HH2 TRP A 78 3.387 14.631 -7.898 1.00 21.20 H new ATOM 1286 N GLU A 79 1.960 7.679 -9.912 1.00 75.30 N ATOM 1287 CA GLU A 79 0.961 8.213 -10.855 1.00 51.41 C ATOM 1288 C GLU A 79 -0.397 8.402 -10.161 1.00 62.33 C ATOM 1289 O GLU A 79 -0.830 7.551 -9.390 1.00 61.43 O ATOM 1290 CB GLU A 79 0.775 7.267 -12.052 1.00 70.23 C ATOM 1291 CG GLU A 79 2.058 6.950 -12.815 1.00 42.42 C ATOM 1292 CD GLU A 79 1.804 6.050 -14.016 1.00 60.00 C ATOM 1293 OE1 GLU A 79 1.429 6.572 -15.086 1.00 31.42 O ATOM 1294 OE2 GLU A 79 1.963 4.818 -13.899 1.00 4.31 O ATOM 0 H GLU A 79 1.674 6.815 -9.452 1.00 75.30 H new ATOM 0 HA GLU A 79 1.329 9.176 -11.207 1.00 51.41 H new ATOM 0 HB2 GLU A 79 0.339 6.333 -11.696 1.00 70.23 H new ATOM 0 HB3 GLU A 79 0.058 7.712 -12.742 1.00 70.23 H new ATOM 0 HG2 GLU A 79 2.519 7.879 -13.150 1.00 42.42 H new ATOM 0 HG3 GLU A 79 2.768 6.466 -12.144 1.00 42.42 H new ATOM 1301 N GLU A 80 -1.080 9.496 -10.468 1.00 45.33 N ATOM 1302 CA GLU A 80 -2.359 9.822 -9.818 1.00 64.15 C ATOM 1303 C GLU A 80 -3.544 9.416 -10.716 1.00 2.14 C ATOM 1304 O GLU A 80 -3.589 9.766 -11.899 1.00 44.24 O ATOM 1305 CB GLU A 80 -2.383 11.323 -9.484 1.00 71.31 C ATOM 1306 CG GLU A 80 -3.494 11.759 -8.525 1.00 51.03 C ATOM 1307 CD GLU A 80 -4.788 12.135 -9.231 1.00 24.13 C ATOM 1308 OE1 GLU A 80 -4.823 13.203 -9.881 1.00 32.31 O ATOM 1309 OE2 GLU A 80 -5.771 11.375 -9.137 1.00 23.14 O ATOM 0 H GLU A 80 -0.776 10.178 -11.163 1.00 45.33 H new ATOM 0 HA GLU A 80 -2.457 9.258 -8.890 1.00 64.15 H new ATOM 0 HB2 GLU A 80 -1.422 11.598 -9.050 1.00 71.31 H new ATOM 0 HB3 GLU A 80 -2.486 11.884 -10.413 1.00 71.31 H new ATOM 0 HG2 GLU A 80 -3.694 10.951 -7.821 1.00 51.03 H new ATOM 0 HG3 GLU A 80 -3.146 12.611 -7.941 1.00 51.03 H new ATOM 1316 N VAL A 81 -4.499 8.667 -10.154 1.00 34.55 N ATOM 1317 CA VAL A 81 -5.602 8.095 -10.942 1.00 10.11 C ATOM 1318 C VAL A 81 -6.964 8.250 -10.240 1.00 23.43 C ATOM 1319 O VAL A 81 -7.077 8.113 -9.020 1.00 43.32 O ATOM 1320 CB VAL A 81 -5.363 6.587 -11.245 1.00 21.45 C ATOM 1321 CG1 VAL A 81 -4.103 6.387 -12.085 1.00 75.33 C ATOM 1322 CG2 VAL A 81 -5.283 5.772 -9.951 1.00 75.51 C ATOM 0 H VAL A 81 -4.533 8.442 -9.160 1.00 34.55 H new ATOM 0 HA VAL A 81 -5.624 8.657 -11.876 1.00 10.11 H new ATOM 0 HB VAL A 81 -6.215 6.227 -11.822 1.00 21.45 H new ATOM 0 HG11 VAL A 81 -3.961 5.324 -12.281 1.00 75.33 H new ATOM 0 HG12 VAL A 81 -4.208 6.920 -13.030 1.00 75.33 H new ATOM 0 HG13 VAL A 81 -3.240 6.774 -11.544 1.00 75.33 H new ATOM 0 HG21 VAL A 81 -5.116 4.722 -10.192 1.00 75.51 H new ATOM 0 HG22 VAL A 81 -4.459 6.140 -9.340 1.00 75.51 H new ATOM 0 HG23 VAL A 81 -6.217 5.873 -9.399 1.00 75.51 H new ATOM 1332 N LYS A 82 -8.002 8.529 -11.025 1.00 14.22 N ATOM 1333 CA LYS A 82 -9.366 8.632 -10.500 1.00 14.14 C ATOM 1334 C LYS A 82 -9.976 7.249 -10.239 1.00 44.03 C ATOM 1335 O LYS A 82 -9.533 6.241 -10.791 1.00 14.32 O ATOM 1336 CB LYS A 82 -10.260 9.398 -11.482 1.00 40.43 C ATOM 1337 CG LYS A 82 -9.845 10.848 -11.694 1.00 33.35 C ATOM 1338 CD LYS A 82 -10.735 11.547 -12.716 1.00 55.13 C ATOM 1339 CE LYS A 82 -12.205 11.540 -12.303 1.00 23.43 C ATOM 1340 NZ LYS A 82 -13.061 12.235 -13.301 1.00 72.52 N ATOM 0 H LYS A 82 -7.927 8.689 -12.030 1.00 14.22 H new ATOM 0 HA LYS A 82 -9.309 9.171 -9.554 1.00 14.14 H new ATOM 0 HB2 LYS A 82 -10.251 8.884 -12.443 1.00 40.43 H new ATOM 0 HB3 LYS A 82 -11.287 9.374 -11.117 1.00 40.43 H new ATOM 0 HG2 LYS A 82 -9.892 11.382 -10.745 1.00 33.35 H new ATOM 0 HG3 LYS A 82 -8.808 10.884 -12.029 1.00 33.35 H new ATOM 0 HD2 LYS A 82 -10.400 12.577 -12.843 1.00 55.13 H new ATOM 0 HD3 LYS A 82 -10.629 11.056 -13.683 1.00 55.13 H new ATOM 0 HE2 LYS A 82 -12.545 10.511 -12.186 1.00 23.43 H new ATOM 0 HE3 LYS A 82 -12.312 12.024 -11.332 1.00 23.43 H new ATOM 0 HZ1 LYS A 82 -14.052 12.210 -12.986 1.00 72.52 H new ATOM 0 HZ2 LYS A 82 -12.753 13.224 -13.394 1.00 72.52 H new ATOM 0 HZ3 LYS A 82 -12.978 11.758 -14.222 1.00 72.52 H new ATOM 1354 N LYS A 83 -11.016 7.220 -9.410 1.00 3.42 N ATOM 1355 CA LYS A 83 -11.749 5.986 -9.116 1.00 10.24 C ATOM 1356 C LYS A 83 -12.321 5.372 -10.407 1.00 23.32 C ATOM 1357 O LYS A 83 -12.257 4.160 -10.614 1.00 34.33 O ATOM 1358 CB LYS A 83 -12.868 6.288 -8.093 1.00 24.34 C ATOM 1359 CG LYS A 83 -13.739 5.088 -7.688 1.00 64.40 C ATOM 1360 CD LYS A 83 -14.900 4.844 -8.655 1.00 74.52 C ATOM 1361 CE LYS A 83 -15.821 6.056 -8.758 1.00 40.32 C ATOM 1362 NZ LYS A 83 -16.990 5.791 -9.637 1.00 13.51 N ATOM 0 H LYS A 83 -11.374 8.043 -8.925 1.00 3.42 H new ATOM 0 HA LYS A 83 -11.067 5.254 -8.684 1.00 10.24 H new ATOM 0 HB2 LYS A 83 -12.412 6.703 -7.194 1.00 24.34 H new ATOM 0 HB3 LYS A 83 -13.516 7.061 -8.507 1.00 24.34 H new ATOM 0 HG2 LYS A 83 -13.118 4.194 -7.641 1.00 64.40 H new ATOM 0 HG3 LYS A 83 -14.135 5.254 -6.686 1.00 64.40 H new ATOM 0 HD2 LYS A 83 -14.505 4.603 -9.642 1.00 74.52 H new ATOM 0 HD3 LYS A 83 -15.474 3.979 -8.322 1.00 74.52 H new ATOM 0 HE2 LYS A 83 -16.170 6.332 -7.763 1.00 40.32 H new ATOM 0 HE3 LYS A 83 -15.260 6.906 -9.146 1.00 40.32 H new ATOM 0 HZ1 LYS A 83 -17.841 6.220 -9.221 1.00 13.51 H new ATOM 0 HZ2 LYS A 83 -16.819 6.203 -10.576 1.00 13.51 H new ATOM 0 HZ3 LYS A 83 -17.129 4.765 -9.730 1.00 13.51 H new ATOM 1376 N ASP A 84 -12.859 6.224 -11.277 1.00 12.35 N ATOM 1377 CA ASP A 84 -13.456 5.774 -12.541 1.00 44.55 C ATOM 1378 C ASP A 84 -12.408 5.183 -13.508 1.00 73.05 C ATOM 1379 O ASP A 84 -12.756 4.467 -14.447 1.00 74.12 O ATOM 1380 CB ASP A 84 -14.190 6.937 -13.212 1.00 71.14 C ATOM 1381 CG ASP A 84 -15.216 7.570 -12.288 1.00 21.50 C ATOM 1382 OD1 ASP A 84 -16.315 6.998 -12.126 1.00 34.10 O ATOM 1383 OD2 ASP A 84 -14.929 8.642 -11.718 1.00 44.23 O ATOM 0 H ASP A 84 -12.896 7.233 -11.133 1.00 12.35 H new ATOM 0 HA ASP A 84 -14.162 4.978 -12.303 1.00 44.55 H new ATOM 0 HB2 ASP A 84 -13.467 7.691 -13.522 1.00 71.14 H new ATOM 0 HB3 ASP A 84 -14.686 6.580 -14.115 1.00 71.14 H new ATOM 1388 N GLU A 85 -11.127 5.481 -13.273 1.00 71.22 N ATOM 1389 CA GLU A 85 -10.039 4.951 -14.111 1.00 71.51 C ATOM 1390 C GLU A 85 -9.637 3.531 -13.684 1.00 13.00 C ATOM 1391 O GLU A 85 -8.841 2.875 -14.356 1.00 62.54 O ATOM 1392 CB GLU A 85 -8.814 5.881 -14.057 1.00 12.04 C ATOM 1393 CG GLU A 85 -9.025 7.219 -14.759 1.00 2.34 C ATOM 1394 CD GLU A 85 -7.816 8.142 -14.661 1.00 43.24 C ATOM 1395 OE1 GLU A 85 -6.786 7.861 -15.309 1.00 2.25 O ATOM 1396 OE2 GLU A 85 -7.894 9.156 -13.936 1.00 22.22 O ATOM 0 H GLU A 85 -10.815 6.085 -12.512 1.00 71.22 H new ATOM 0 HA GLU A 85 -10.409 4.904 -15.135 1.00 71.51 H new ATOM 0 HB2 GLU A 85 -8.555 6.065 -13.014 1.00 12.04 H new ATOM 0 HB3 GLU A 85 -7.964 5.373 -14.512 1.00 12.04 H new ATOM 0 HG2 GLU A 85 -9.253 7.039 -15.810 1.00 2.34 H new ATOM 0 HG3 GLU A 85 -9.892 7.718 -14.325 1.00 2.34 H new ATOM 1403 N LEU A 86 -10.185 3.062 -12.564 1.00 31.21 N ATOM 1404 CA LEU A 86 -9.901 1.709 -12.069 1.00 34.42 C ATOM 1405 C LEU A 86 -11.056 0.746 -12.394 1.00 2.33 C ATOM 1406 O LEU A 86 -12.226 1.119 -12.296 1.00 50.41 O ATOM 1407 CB LEU A 86 -9.659 1.737 -10.553 1.00 33.25 C ATOM 1408 CG LEU A 86 -8.491 2.621 -10.088 1.00 53.24 C ATOM 1409 CD1 LEU A 86 -8.334 2.552 -8.573 1.00 24.43 C ATOM 1410 CD2 LEU A 86 -7.193 2.219 -10.787 1.00 55.24 C ATOM 0 H LEU A 86 -10.828 3.596 -11.980 1.00 31.21 H new ATOM 0 HA LEU A 86 -9.002 1.351 -12.571 1.00 34.42 H new ATOM 0 HB2 LEU A 86 -10.570 2.081 -10.063 1.00 33.25 H new ATOM 0 HB3 LEU A 86 -9.479 0.717 -10.212 1.00 33.25 H new ATOM 0 HG LEU A 86 -8.716 3.652 -10.361 1.00 53.24 H new ATOM 0 HD11 LEU A 86 -7.502 3.185 -8.264 1.00 24.43 H new ATOM 0 HD12 LEU A 86 -9.250 2.899 -8.096 1.00 24.43 H new ATOM 0 HD13 LEU A 86 -8.137 1.522 -8.274 1.00 24.43 H new ATOM 0 HD21 LEU A 86 -6.381 2.859 -10.442 1.00 55.24 H new ATOM 0 HD22 LEU A 86 -6.961 1.180 -10.554 1.00 55.24 H new ATOM 0 HD23 LEU A 86 -7.310 2.331 -11.865 1.00 55.24 H new ATOM 1422 N PRO A 87 -10.743 -0.505 -12.789 1.00 72.34 N ATOM 1423 CA PRO A 87 -11.771 -1.522 -13.085 1.00 34.41 C ATOM 1424 C PRO A 87 -12.558 -1.949 -11.831 1.00 52.33 C ATOM 1425 O PRO A 87 -11.995 -2.050 -10.741 1.00 65.22 O ATOM 1426 CB PRO A 87 -10.954 -2.699 -13.646 1.00 34.20 C ATOM 1427 CG PRO A 87 -9.585 -2.518 -13.081 1.00 55.01 C ATOM 1428 CD PRO A 87 -9.376 -1.031 -12.979 1.00 41.34 C ATOM 0 HA PRO A 87 -12.530 -1.148 -13.773 1.00 34.41 H new ATOM 0 HB2 PRO A 87 -11.382 -3.656 -13.346 1.00 34.20 H new ATOM 0 HB3 PRO A 87 -10.937 -2.685 -14.736 1.00 34.20 H new ATOM 0 HG2 PRO A 87 -9.500 -2.993 -12.104 1.00 55.01 H new ATOM 0 HG3 PRO A 87 -8.833 -2.975 -13.724 1.00 55.01 H new ATOM 0 HD2 PRO A 87 -8.726 -0.773 -12.143 1.00 41.34 H new ATOM 0 HD3 PRO A 87 -8.912 -0.628 -13.879 1.00 41.34 H new ATOM 1436 N ALA A 88 -13.852 -2.232 -12.004 1.00 54.01 N ATOM 1437 CA ALA A 88 -14.751 -2.574 -10.884 1.00 63.04 C ATOM 1438 C ALA A 88 -14.189 -3.682 -9.971 1.00 34.00 C ATOM 1439 O ALA A 88 -14.538 -3.759 -8.793 1.00 55.14 O ATOM 1440 CB ALA A 88 -16.113 -2.989 -11.426 1.00 74.51 C ATOM 0 H ALA A 88 -14.309 -2.232 -12.916 1.00 54.01 H new ATOM 0 HA ALA A 88 -14.845 -1.679 -10.269 1.00 63.04 H new ATOM 0 HB1 ALA A 88 -16.774 -3.241 -10.596 1.00 74.51 H new ATOM 0 HB2 ALA A 88 -16.544 -2.166 -11.996 1.00 74.51 H new ATOM 0 HB3 ALA A 88 -15.997 -3.858 -12.074 1.00 74.51 H new ATOM 1446 N LYS A 89 -13.309 -4.521 -10.519 1.00 75.13 N ATOM 1447 CA LYS A 89 -12.705 -5.639 -9.773 1.00 53.23 C ATOM 1448 C LYS A 89 -11.971 -5.168 -8.502 1.00 2.14 C ATOM 1449 O LYS A 89 -11.853 -5.923 -7.535 1.00 65.24 O ATOM 1450 CB LYS A 89 -11.753 -6.435 -10.692 1.00 43.12 C ATOM 1451 CG LYS A 89 -12.469 -7.447 -11.593 1.00 25.31 C ATOM 1452 CD LYS A 89 -13.624 -6.812 -12.366 1.00 72.45 C ATOM 1453 CE LYS A 89 -14.510 -7.854 -13.037 1.00 24.33 C ATOM 1454 NZ LYS A 89 -15.829 -7.282 -13.415 1.00 35.31 N ATOM 0 H LYS A 89 -12.993 -4.450 -11.486 1.00 75.13 H new ATOM 0 HA LYS A 89 -13.515 -6.290 -9.445 1.00 53.23 H new ATOM 0 HB2 LYS A 89 -11.197 -5.736 -11.316 1.00 43.12 H new ATOM 0 HB3 LYS A 89 -11.024 -6.962 -10.076 1.00 43.12 H new ATOM 0 HG2 LYS A 89 -11.754 -7.875 -12.296 1.00 25.31 H new ATOM 0 HG3 LYS A 89 -12.848 -8.268 -10.985 1.00 25.31 H new ATOM 0 HD2 LYS A 89 -14.226 -6.209 -11.686 1.00 72.45 H new ATOM 0 HD3 LYS A 89 -13.225 -6.136 -13.122 1.00 72.45 H new ATOM 0 HE2 LYS A 89 -14.011 -8.240 -13.926 1.00 24.33 H new ATOM 0 HE3 LYS A 89 -14.657 -8.697 -12.362 1.00 24.33 H new ATOM 0 HZ1 LYS A 89 -16.409 -8.016 -13.869 1.00 35.31 H new ATOM 0 HZ2 LYS A 89 -16.314 -6.936 -12.563 1.00 35.31 H new ATOM 0 HZ3 LYS A 89 -15.688 -6.493 -14.078 1.00 35.31 H new ATOM 1468 N VAL A 90 -11.491 -3.924 -8.500 1.00 34.54 N ATOM 1469 CA VAL A 90 -10.838 -3.357 -7.311 1.00 32.33 C ATOM 1470 C VAL A 90 -11.854 -3.130 -6.176 1.00 22.03 C ATOM 1471 O VAL A 90 -11.504 -3.160 -4.999 1.00 35.41 O ATOM 1472 CB VAL A 90 -10.116 -2.021 -7.632 1.00 24.11 C ATOM 1473 CG1 VAL A 90 -9.113 -2.209 -8.768 1.00 72.24 C ATOM 1474 CG2 VAL A 90 -11.116 -0.913 -7.963 1.00 73.11 C ATOM 0 H VAL A 90 -11.539 -3.292 -9.299 1.00 34.54 H new ATOM 0 HA VAL A 90 -10.093 -4.083 -6.986 1.00 32.33 H new ATOM 0 HB VAL A 90 -9.569 -1.714 -6.740 1.00 24.11 H new ATOM 0 HG11 VAL A 90 -8.618 -1.261 -8.977 1.00 72.24 H new ATOM 0 HG12 VAL A 90 -8.369 -2.950 -8.477 1.00 72.24 H new ATOM 0 HG13 VAL A 90 -9.635 -2.550 -9.662 1.00 72.24 H new ATOM 0 HG21 VAL A 90 -10.578 0.009 -8.183 1.00 73.11 H new ATOM 0 HG22 VAL A 90 -11.707 -1.204 -8.831 1.00 73.11 H new ATOM 0 HG23 VAL A 90 -11.777 -0.753 -7.111 1.00 73.11 H new ATOM 1484 N LYS A 91 -13.116 -2.914 -6.550 1.00 12.02 N ATOM 1485 CA LYS A 91 -14.200 -2.686 -5.586 1.00 75.31 C ATOM 1486 C LYS A 91 -14.944 -3.994 -5.259 1.00 73.10 C ATOM 1487 O LYS A 91 -15.348 -4.225 -4.120 1.00 1.51 O ATOM 1488 CB LYS A 91 -15.182 -1.644 -6.149 1.00 2.51 C ATOM 1489 CG LYS A 91 -16.369 -1.341 -5.235 1.00 52.00 C ATOM 1490 CD LYS A 91 -17.285 -0.269 -5.826 1.00 73.24 C ATOM 1491 CE LYS A 91 -18.494 0.006 -4.937 1.00 22.12 C ATOM 1492 NZ LYS A 91 -18.100 0.506 -3.597 1.00 54.31 N ATOM 0 H LYS A 91 -13.417 -2.892 -7.524 1.00 12.02 H new ATOM 0 HA LYS A 91 -13.762 -2.312 -4.661 1.00 75.31 H new ATOM 0 HB2 LYS A 91 -14.640 -0.718 -6.341 1.00 2.51 H new ATOM 0 HB3 LYS A 91 -15.558 -1.998 -7.109 1.00 2.51 H new ATOM 0 HG2 LYS A 91 -16.940 -2.254 -5.067 1.00 52.00 H new ATOM 0 HG3 LYS A 91 -16.003 -1.010 -4.263 1.00 52.00 H new ATOM 0 HD2 LYS A 91 -16.721 0.653 -5.965 1.00 73.24 H new ATOM 0 HD3 LYS A 91 -17.625 -0.586 -6.812 1.00 73.24 H new ATOM 0 HE2 LYS A 91 -19.140 0.738 -5.421 1.00 22.12 H new ATOM 0 HE3 LYS A 91 -19.077 -0.908 -4.825 1.00 22.12 H new ATOM 0 HZ1 LYS A 91 -18.946 0.823 -3.082 1.00 54.31 H new ATOM 0 HZ2 LYS A 91 -17.636 -0.257 -3.064 1.00 54.31 H new ATOM 0 HZ3 LYS A 91 -17.441 1.303 -3.704 1.00 54.31 H new