USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=22 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 37 TYR OH : rot 51:sc= 0.363 USER MOD Set 1.2: A 58 ASN : amide:sc= 1.35 K(o=1.7,f=-5.8!) USER MOD Set 2.1: A 11 TYR OH : rot -137:sc= 1.25 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0776) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-2.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= 0.528 (180deg=-0.581) 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= 0 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.887) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.134 (180deg=-0.509) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0191 (180deg=-0.138) 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= -0.205 X(o=-0.21,f=0.038) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -2.05! (180deg=-4.42!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0.796 (180deg=0.545) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0.971 (180deg=0.968) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0.588) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 8.883 -1.639 -12.258 1.00 4.55 N ATOM 114 CA LYS A 8 8.872 -2.854 -11.430 1.00 61.43 C ATOM 115 C LYS A 8 7.424 -3.278 -11.108 1.00 23.23 C ATOM 116 O LYS A 8 6.830 -4.093 -11.817 1.00 5.30 O ATOM 117 CB LYS A 8 9.666 -2.594 -10.136 1.00 1.51 C ATOM 118 CG LYS A 8 9.713 -3.778 -9.171 1.00 71.34 C ATOM 119 CD LYS A 8 10.365 -3.407 -7.838 1.00 11.20 C ATOM 120 CE LYS A 8 11.839 -3.054 -7.992 1.00 44.03 C ATOM 121 NZ LYS A 8 12.656 -4.234 -8.386 1.00 62.33 N ATOM 0 HA LYS A 8 9.342 -3.669 -11.980 1.00 61.43 H new ATOM 0 HB2 LYS A 8 10.686 -2.317 -10.401 1.00 1.51 H new ATOM 0 HB3 LYS A 8 9.227 -1.739 -9.621 1.00 1.51 H new ATOM 0 HG2 LYS A 8 8.700 -4.139 -8.991 1.00 71.34 H new ATOM 0 HG3 LYS A 8 10.267 -4.597 -9.630 1.00 71.34 H new ATOM 0 HD2 LYS A 8 9.835 -2.561 -7.400 1.00 11.20 H new ATOM 0 HD3 LYS A 8 10.264 -4.240 -7.143 1.00 11.20 H new ATOM 0 HE2 LYS A 8 11.948 -2.271 -8.742 1.00 44.03 H new ATOM 0 HE3 LYS A 8 12.215 -2.650 -7.052 1.00 44.03 H new ATOM 0 HZ1 LYS A 8 13.665 -3.986 -8.348 1.00 62.33 H new ATOM 0 HZ2 LYS A 8 12.468 -5.020 -7.732 1.00 62.33 H new ATOM 0 HZ3 LYS A 8 12.406 -4.522 -9.354 1.00 62.33 H new ATOM 135 N ASP A 9 6.855 -2.700 -10.049 1.00 22.23 N ATOM 136 CA ASP A 9 5.451 -2.925 -9.686 1.00 23.45 C ATOM 137 C ASP A 9 4.812 -1.613 -9.213 1.00 21.10 C ATOM 138 O ASP A 9 5.474 -0.784 -8.580 1.00 64.32 O ATOM 139 CB ASP A 9 5.324 -3.989 -8.586 1.00 51.40 C ATOM 140 CG ASP A 9 5.736 -5.375 -9.056 1.00 70.01 C ATOM 141 OD1 ASP A 9 4.956 -6.014 -9.800 1.00 24.14 O ATOM 142 OD2 ASP A 9 6.837 -5.836 -8.681 1.00 74.11 O ATOM 0 H ASP A 9 7.349 -2.066 -9.421 1.00 22.23 H new ATOM 0 HA ASP A 9 4.929 -3.285 -10.573 1.00 23.45 H new ATOM 0 HB2 ASP A 9 5.941 -3.701 -7.735 1.00 51.40 H new ATOM 0 HB3 ASP A 9 4.292 -4.021 -8.235 1.00 51.40 H new ATOM 147 N GLU A 10 3.536 -1.427 -9.528 1.00 51.03 N ATOM 148 CA GLU A 10 2.809 -0.218 -9.129 1.00 33.13 C ATOM 149 C GLU A 10 1.665 -0.535 -8.155 1.00 20.14 C ATOM 150 O GLU A 10 0.924 -1.502 -8.333 1.00 54.34 O ATOM 151 CB GLU A 10 2.257 0.526 -10.362 1.00 33.04 C ATOM 152 CG GLU A 10 1.319 -0.299 -11.251 1.00 73.23 C ATOM 153 CD GLU A 10 2.056 -1.218 -12.217 1.00 55.20 C ATOM 154 OE1 GLU A 10 2.354 -2.372 -11.848 1.00 61.40 O ATOM 155 OE2 GLU A 10 2.339 -0.784 -13.355 1.00 45.21 O ATOM 0 H GLU A 10 2.979 -2.096 -10.059 1.00 51.03 H new ATOM 0 HA GLU A 10 3.522 0.427 -8.615 1.00 33.13 H new ATOM 0 HB2 GLU A 10 1.724 1.414 -10.023 1.00 33.04 H new ATOM 0 HB3 GLU A 10 3.097 0.870 -10.966 1.00 33.04 H new ATOM 0 HG2 GLU A 10 0.664 -0.898 -10.618 1.00 73.23 H new ATOM 0 HG3 GLU A 10 0.681 0.377 -11.820 1.00 73.23 H new ATOM 162 N TYR A 11 1.533 0.288 -7.120 1.00 21.32 N ATOM 163 CA TYR A 11 0.442 0.153 -6.150 1.00 4.11 C ATOM 164 C TYR A 11 -0.553 1.317 -6.279 1.00 41.04 C ATOM 165 O TYR A 11 -0.163 2.484 -6.245 1.00 13.20 O ATOM 166 CB TYR A 11 0.999 0.101 -4.717 1.00 54.02 C ATOM 167 CG TYR A 11 1.687 -1.209 -4.356 1.00 24.13 C ATOM 168 CD1 TYR A 11 2.976 -1.499 -4.800 1.00 10.42 C ATOM 169 CD2 TYR A 11 1.046 -2.154 -3.559 1.00 55.21 C ATOM 170 CE1 TYR A 11 3.598 -2.690 -4.465 1.00 42.54 C ATOM 171 CE2 TYR A 11 1.663 -3.345 -3.222 1.00 42.43 C ATOM 172 CZ TYR A 11 2.937 -3.609 -3.673 1.00 21.51 C ATOM 173 OH TYR A 11 3.551 -4.799 -3.331 1.00 64.30 O ATOM 0 H TYR A 11 2.170 1.061 -6.927 1.00 21.32 H new ATOM 0 HA TYR A 11 -0.082 -0.779 -6.362 1.00 4.11 H new ATOM 0 HB2 TYR A 11 1.709 0.918 -4.586 1.00 54.02 H new ATOM 0 HB3 TYR A 11 0.182 0.273 -4.016 1.00 54.02 H new ATOM 0 HD1 TYR A 11 3.499 -0.782 -5.416 1.00 10.42 H new ATOM 0 HD2 TYR A 11 0.048 -1.953 -3.197 1.00 55.21 H new ATOM 0 HE1 TYR A 11 4.596 -2.900 -4.821 1.00 42.54 H new ATOM 0 HE2 TYR A 11 1.147 -4.067 -2.606 1.00 42.43 H new ATOM 0 HH TYR A 11 2.907 -5.534 -3.409 1.00 64.30 H new ATOM 183 N TYR A 12 -1.835 0.993 -6.439 1.00 64.24 N ATOM 184 CA TYR A 12 -2.884 2.014 -6.498 1.00 31.21 C ATOM 185 C TYR A 12 -3.355 2.388 -5.085 1.00 22.51 C ATOM 186 O TYR A 12 -4.142 1.670 -4.470 1.00 0.42 O ATOM 187 CB TYR A 12 -4.072 1.521 -7.340 1.00 0.24 C ATOM 188 CG TYR A 12 -3.760 1.359 -8.819 1.00 10.41 C ATOM 189 CD1 TYR A 12 -3.161 0.203 -9.309 1.00 53.34 C ATOM 190 CD2 TYR A 12 -4.079 2.364 -9.725 1.00 21.42 C ATOM 191 CE1 TYR A 12 -2.886 0.057 -10.657 1.00 34.35 C ATOM 192 CE2 TYR A 12 -3.812 2.223 -11.073 1.00 51.11 C ATOM 193 CZ TYR A 12 -3.216 1.067 -11.535 1.00 54.45 C ATOM 194 OH TYR A 12 -2.947 0.927 -12.880 1.00 31.40 O ATOM 0 H TYR A 12 -2.173 0.035 -6.530 1.00 64.24 H new ATOM 0 HA TYR A 12 -2.467 2.903 -6.972 1.00 31.21 H new ATOM 0 HB2 TYR A 12 -4.411 0.564 -6.944 1.00 0.24 H new ATOM 0 HB3 TYR A 12 -4.898 2.223 -7.229 1.00 0.24 H new ATOM 0 HD1 TYR A 12 -2.906 -0.594 -8.626 1.00 53.34 H new ATOM 0 HD2 TYR A 12 -4.544 3.271 -9.369 1.00 21.42 H new ATOM 0 HE1 TYR A 12 -2.415 -0.845 -11.020 1.00 34.35 H new ATOM 0 HE2 TYR A 12 -4.068 3.014 -11.762 1.00 51.11 H new ATOM 0 HH TYR A 12 -3.244 1.729 -13.358 1.00 31.40 H new ATOM 204 N VAL A 13 -2.857 3.509 -4.570 1.00 54.31 N ATOM 205 CA VAL A 13 -3.200 3.964 -3.215 1.00 60.44 C ATOM 206 C VAL A 13 -3.790 5.379 -3.229 1.00 32.15 C ATOM 207 O VAL A 13 -3.259 6.277 -3.878 1.00 42.24 O ATOM 208 CB VAL A 13 -1.962 3.932 -2.281 1.00 5.45 C ATOM 209 CG1 VAL A 13 -1.494 2.496 -2.066 1.00 40.20 C ATOM 210 CG2 VAL A 13 -0.827 4.794 -2.843 1.00 72.43 C ATOM 0 H VAL A 13 -2.213 4.124 -5.067 1.00 54.31 H new ATOM 0 HA VAL A 13 -3.952 3.274 -2.832 1.00 60.44 H new ATOM 0 HB VAL A 13 -2.253 4.349 -1.317 1.00 5.45 H new ATOM 0 HG11 VAL A 13 -0.625 2.491 -1.408 1.00 40.20 H new ATOM 0 HG12 VAL A 13 -2.297 1.916 -1.611 1.00 40.20 H new ATOM 0 HG13 VAL A 13 -1.226 2.053 -3.025 1.00 40.20 H new ATOM 0 HG21 VAL A 13 0.028 4.754 -2.169 1.00 72.43 H new ATOM 0 HG22 VAL A 13 -0.535 4.417 -3.823 1.00 72.43 H new ATOM 0 HG23 VAL A 13 -1.166 5.826 -2.938 1.00 72.43 H new ATOM 220 N GLN A 14 -4.892 5.579 -2.512 1.00 23.34 N ATOM 221 CA GLN A 14 -5.557 6.885 -2.483 1.00 60.10 C ATOM 222 C GLN A 14 -4.996 7.783 -1.371 1.00 64.00 C ATOM 223 O GLN A 14 -4.584 7.303 -0.312 1.00 71.30 O ATOM 224 CB GLN A 14 -7.076 6.722 -2.312 1.00 31.42 C ATOM 225 CG GLN A 14 -7.501 6.164 -0.957 1.00 45.33 C ATOM 226 CD GLN A 14 -9.007 6.000 -0.826 1.00 71.41 C ATOM 227 OE1 GLN A 14 -9.769 6.835 -1.511 1.00 54.21 O flip ATOM 228 NE2 GLN A 14 -9.485 5.126 -0.108 1.00 42.12 N flip ATOM 0 H GLN A 14 -5.344 4.861 -1.946 1.00 23.34 H new ATOM 0 HA GLN A 14 -5.359 7.368 -3.440 1.00 60.10 H new ATOM 0 HB2 GLN A 14 -7.552 7.692 -2.457 1.00 31.42 H new ATOM 0 HB3 GLN A 14 -7.449 6.063 -3.096 1.00 31.42 H new ATOM 0 HG2 GLN A 14 -7.021 5.198 -0.802 1.00 45.33 H new ATOM 0 HG3 GLN A 14 -7.144 6.827 -0.169 1.00 45.33 H new ATOM 0 HE21 GLN A 14 -8.870 4.497 0.408 1.00 42.12 H new ATOM 0 HE22 GLN A 14 -10.497 5.029 -0.028 1.00 42.12 H new ATOM 237 N ILE A 15 -4.982 9.090 -1.616 1.00 73.33 N ATOM 238 CA ILE A 15 -4.500 10.059 -0.631 1.00 75.02 C ATOM 239 C ILE A 15 -5.458 10.167 0.568 1.00 21.31 C ATOM 240 O ILE A 15 -6.484 10.846 0.499 1.00 60.14 O ATOM 241 CB ILE A 15 -4.320 11.461 -1.267 1.00 13.42 C ATOM 242 CG1 ILE A 15 -3.355 11.393 -2.463 1.00 11.02 C ATOM 243 CG2 ILE A 15 -3.823 12.473 -0.232 1.00 1.01 C ATOM 244 CD1 ILE A 15 -1.961 10.916 -2.099 1.00 22.32 C ATOM 0 H ILE A 15 -5.300 9.506 -2.491 1.00 73.33 H new ATOM 0 HA ILE A 15 -3.534 9.698 -0.279 1.00 75.02 H new ATOM 0 HB ILE A 15 -5.293 11.796 -1.627 1.00 13.42 H new ATOM 0 HG12 ILE A 15 -3.772 10.725 -3.217 1.00 11.02 H new ATOM 0 HG13 ILE A 15 -3.284 12.381 -2.917 1.00 11.02 H new ATOM 0 HG21 ILE A 15 -3.705 13.448 -0.704 1.00 1.01 H new ATOM 0 HG22 ILE A 15 -4.546 12.548 0.580 1.00 1.01 H new ATOM 0 HG23 ILE A 15 -2.863 12.144 0.166 1.00 1.01 H new ATOM 0 HD11 ILE A 15 -1.339 10.894 -2.994 1.00 22.32 H new ATOM 0 HD12 ILE A 15 -1.523 11.596 -1.368 1.00 22.32 H new ATOM 0 HD13 ILE A 15 -2.019 9.914 -1.673 1.00 22.32 H new ATOM 256 N THR A 16 -5.128 9.478 1.659 1.00 41.31 N ATOM 257 CA THR A 16 -5.924 9.553 2.892 1.00 1.04 C ATOM 258 C THR A 16 -5.853 10.957 3.505 1.00 32.43 C ATOM 259 O THR A 16 -6.877 11.616 3.712 1.00 42.32 O ATOM 260 CB THR A 16 -5.446 8.522 3.945 1.00 31.05 C ATOM 261 OG1 THR A 16 -4.085 8.793 4.315 1.00 71.52 O ATOM 262 CG2 THR A 16 -5.554 7.097 3.408 1.00 23.15 C ATOM 0 H THR A 16 -4.318 8.862 1.719 1.00 41.31 H new ATOM 0 HA THR A 16 -6.953 9.325 2.616 1.00 1.04 H new ATOM 0 HB THR A 16 -6.089 8.612 4.821 1.00 31.05 H new ATOM 0 HG1 THR A 16 -3.791 8.138 4.982 1.00 71.52 H new ATOM 0 HG21 THR A 16 -5.212 6.395 4.168 1.00 23.15 H new ATOM 0 HG22 THR A 16 -6.592 6.881 3.155 1.00 23.15 H new ATOM 0 HG23 THR A 16 -4.935 6.996 2.516 1.00 23.15 H new ATOM 270 N VAL A 17 -4.634 11.409 3.791 1.00 23.21 N ATOM 271 CA VAL A 17 -4.400 12.759 4.320 1.00 61.12 C ATOM 272 C VAL A 17 -3.495 13.580 3.385 1.00 74.14 C ATOM 273 O VAL A 17 -2.403 13.145 3.015 1.00 61.50 O ATOM 274 CB VAL A 17 -3.769 12.711 5.740 1.00 44.15 C ATOM 275 CG1 VAL A 17 -4.741 12.098 6.746 1.00 52.52 C ATOM 276 CG2 VAL A 17 -2.447 11.937 5.733 1.00 72.52 C ATOM 0 H VAL A 17 -3.785 10.859 3.665 1.00 23.21 H new ATOM 0 HA VAL A 17 -5.374 13.245 4.384 1.00 61.12 H new ATOM 0 HB VAL A 17 -3.559 13.737 6.044 1.00 44.15 H new ATOM 0 HG11 VAL A 17 -4.277 12.075 7.732 1.00 52.52 H new ATOM 0 HG12 VAL A 17 -5.650 12.698 6.786 1.00 52.52 H new ATOM 0 HG13 VAL A 17 -4.990 11.082 6.439 1.00 52.52 H new ATOM 0 HG21 VAL A 17 -2.030 11.921 6.740 1.00 72.52 H new ATOM 0 HG22 VAL A 17 -2.625 10.915 5.397 1.00 72.52 H new ATOM 0 HG23 VAL A 17 -1.744 12.424 5.057 1.00 72.52 H new ATOM 286 N ASP A 18 -3.959 14.763 2.989 1.00 52.24 N ATOM 287 CA ASP A 18 -3.158 15.666 2.162 1.00 21.14 C ATOM 288 C ASP A 18 -2.663 16.860 2.994 1.00 42.11 C ATOM 289 O ASP A 18 -3.009 16.999 4.174 1.00 14.35 O ATOM 290 CB ASP A 18 -3.973 16.150 0.954 1.00 13.13 C ATOM 291 CG ASP A 18 -5.089 17.108 1.340 1.00 50.32 C ATOM 292 OD1 ASP A 18 -6.000 16.702 2.095 1.00 60.13 O ATOM 293 OD2 ASP A 18 -5.056 18.274 0.891 1.00 50.23 O ATOM 0 H ASP A 18 -4.885 15.120 3.227 1.00 52.24 H new ATOM 0 HA ASP A 18 -2.289 15.120 1.795 1.00 21.14 H new ATOM 0 HB2 ASP A 18 -3.307 16.643 0.246 1.00 13.13 H new ATOM 0 HB3 ASP A 18 -4.401 15.288 0.442 1.00 13.13 H new ATOM 298 N GLY A 19 -1.859 17.720 2.379 1.00 63.34 N ATOM 299 CA GLY A 19 -1.339 18.898 3.073 1.00 24.11 C ATOM 300 C GLY A 19 -0.279 18.589 4.134 1.00 64.52 C ATOM 301 O GLY A 19 0.122 19.478 4.888 1.00 42.31 O ATOM 0 H GLY A 19 -1.554 17.628 1.410 1.00 63.34 H new ATOM 0 HA2 GLY A 19 -0.912 19.579 2.337 1.00 24.11 H new ATOM 0 HA3 GLY A 19 -2.169 19.421 3.548 1.00 24.11 H new ATOM 305 N LYS A 20 0.181 17.340 4.201 1.00 54.35 N ATOM 306 CA LYS A 20 1.251 16.966 5.132 1.00 62.00 C ATOM 307 C LYS A 20 2.597 17.500 4.629 1.00 3.42 C ATOM 308 O LYS A 20 2.893 17.422 3.440 1.00 51.10 O ATOM 309 CB LYS A 20 1.312 15.441 5.296 1.00 33.33 C ATOM 310 CG LYS A 20 0.311 14.873 6.296 1.00 15.53 C ATOM 311 CD LYS A 20 0.712 15.211 7.730 1.00 24.43 C ATOM 312 CE LYS A 20 -0.226 14.575 8.748 1.00 13.34 C ATOM 313 NZ LYS A 20 0.279 14.733 10.137 1.00 63.42 N ATOM 0 H LYS A 20 -0.167 16.572 3.626 1.00 54.35 H new ATOM 0 HA LYS A 20 1.037 17.409 6.105 1.00 62.00 H new ATOM 0 HB2 LYS A 20 1.140 14.977 4.325 1.00 33.33 H new ATOM 0 HB3 LYS A 20 2.318 15.162 5.609 1.00 33.33 H new ATOM 0 HG2 LYS A 20 -0.681 15.274 6.089 1.00 15.53 H new ATOM 0 HG3 LYS A 20 0.249 13.791 6.178 1.00 15.53 H new ATOM 0 HD2 LYS A 20 1.731 14.869 7.912 1.00 24.43 H new ATOM 0 HD3 LYS A 20 0.711 16.293 7.862 1.00 24.43 H new ATOM 0 HE2 LYS A 20 -1.213 15.029 8.666 1.00 13.34 H new ATOM 0 HE3 LYS A 20 -0.343 13.515 8.522 1.00 13.34 H new ATOM 0 HZ1 LYS A 20 -0.386 14.288 10.801 1.00 63.42 H new ATOM 0 HZ2 LYS A 20 1.210 14.278 10.222 1.00 63.42 H new ATOM 0 HZ3 LYS A 20 0.367 15.745 10.361 1.00 63.42 H new ATOM 327 N GLU A 21 3.405 18.043 5.535 1.00 55.24 N ATOM 328 CA GLU A 21 4.669 18.689 5.153 1.00 31.24 C ATOM 329 C GLU A 21 5.832 18.246 6.061 1.00 72.31 C ATOM 330 O GLU A 21 5.772 18.416 7.279 1.00 45.50 O ATOM 331 CB GLU A 21 4.505 20.219 5.227 1.00 32.11 C ATOM 332 CG GLU A 21 3.292 20.747 4.463 1.00 24.44 C ATOM 333 CD GLU A 21 3.058 22.239 4.654 1.00 0.21 C ATOM 334 OE1 GLU A 21 2.832 22.670 5.807 1.00 5.12 O ATOM 335 OE2 GLU A 21 3.108 22.994 3.661 1.00 3.45 O ATOM 0 H GLU A 21 3.213 18.052 6.537 1.00 55.24 H new ATOM 0 HA GLU A 21 4.909 18.387 4.134 1.00 31.24 H new ATOM 0 HB2 GLU A 21 4.422 20.516 6.272 1.00 32.11 H new ATOM 0 HB3 GLU A 21 5.405 20.691 4.832 1.00 32.11 H new ATOM 0 HG2 GLU A 21 3.423 20.541 3.401 1.00 24.44 H new ATOM 0 HG3 GLU A 21 2.404 20.203 4.786 1.00 24.44 H new ATOM 342 N VAL A 22 6.891 17.693 5.465 1.00 22.12 N ATOM 343 CA VAL A 22 8.087 17.295 6.220 1.00 1.31 C ATOM 344 C VAL A 22 8.905 18.522 6.650 1.00 71.22 C ATOM 345 O VAL A 22 9.913 18.877 6.040 1.00 63.05 O ATOM 346 CB VAL A 22 8.989 16.308 5.427 1.00 62.13 C ATOM 347 CG1 VAL A 22 8.388 14.907 5.436 1.00 43.52 C ATOM 348 CG2 VAL A 22 9.210 16.788 3.991 1.00 23.02 C ATOM 0 H VAL A 22 6.947 17.510 4.463 1.00 22.12 H new ATOM 0 HA VAL A 22 7.730 16.775 7.109 1.00 1.31 H new ATOM 0 HB VAL A 22 9.960 16.273 5.921 1.00 62.13 H new ATOM 0 HG11 VAL A 22 9.034 14.231 4.876 1.00 43.52 H new ATOM 0 HG12 VAL A 22 8.299 14.556 6.464 1.00 43.52 H new ATOM 0 HG13 VAL A 22 7.401 14.932 4.974 1.00 43.52 H new ATOM 0 HG21 VAL A 22 9.845 16.076 3.463 1.00 23.02 H new ATOM 0 HG22 VAL A 22 8.250 16.865 3.481 1.00 23.02 H new ATOM 0 HG23 VAL A 22 9.693 17.765 4.004 1.00 23.02 H new ATOM 358 N HIS A 23 8.436 19.180 7.697 1.00 2.41 N ATOM 359 CA HIS A 23 9.084 20.392 8.204 1.00 73.40 C ATOM 360 C HIS A 23 9.819 20.151 9.532 1.00 73.05 C ATOM 361 O HIS A 23 9.233 20.239 10.607 1.00 42.00 O ATOM 362 CB HIS A 23 8.061 21.534 8.345 1.00 54.01 C ATOM 363 CG HIS A 23 6.720 21.111 8.868 1.00 15.24 C ATOM 364 ND1 HIS A 23 5.547 21.388 8.205 1.00 22.24 N ATOM 365 CD2 HIS A 23 6.361 20.444 9.993 1.00 14.34 C ATOM 366 CE1 HIS A 23 4.533 20.913 8.888 1.00 1.50 C ATOM 367 NE2 HIS A 23 4.993 20.335 9.977 1.00 33.15 N ATOM 0 H HIS A 23 7.606 18.899 8.219 1.00 2.41 H new ATOM 0 HA HIS A 23 9.838 20.683 7.473 1.00 73.40 H new ATOM 0 HB2 HIS A 23 8.473 22.293 9.010 1.00 54.01 H new ATOM 0 HB3 HIS A 23 7.925 22.004 7.371 1.00 54.01 H new ATOM 0 HD2 HIS A 23 7.026 20.069 10.757 1.00 14.34 H new ATOM 0 HE1 HIS A 23 3.493 20.984 8.604 1.00 1.50 H new ATOM 0 HE2 HIS A 23 4.426 19.880 10.692 1.00 33.15 H new ATOM 491 N TYR A 32 12.370 26.368 2.742 1.00 74.42 N ATOM 492 CA TYR A 32 12.207 25.052 2.122 1.00 11.23 C ATOM 493 C TYR A 32 10.959 24.362 2.694 1.00 0.11 C ATOM 494 O TYR A 32 10.729 24.391 3.904 1.00 11.04 O ATOM 495 CB TYR A 32 13.461 24.194 2.364 1.00 34.43 C ATOM 496 CG TYR A 32 13.968 24.223 3.801 1.00 25.33 C ATOM 497 CD1 TYR A 32 14.822 25.236 4.234 1.00 42.12 C ATOM 498 CD2 TYR A 32 13.594 23.247 4.722 1.00 10.34 C ATOM 499 CE1 TYR A 32 15.286 25.274 5.535 1.00 11.45 C ATOM 500 CE2 TYR A 32 14.055 23.281 6.027 1.00 50.41 C ATOM 501 CZ TYR A 32 14.900 24.297 6.428 1.00 52.54 C ATOM 502 OH TYR A 32 15.362 24.337 7.728 1.00 61.02 O ATOM 0 HA TYR A 32 12.078 25.174 1.046 1.00 11.23 H new ATOM 0 HB2 TYR A 32 13.241 23.163 2.089 1.00 34.43 H new ATOM 0 HB3 TYR A 32 14.256 24.538 1.703 1.00 34.43 H new ATOM 0 HD1 TYR A 32 15.127 26.005 3.540 1.00 42.12 H new ATOM 0 HD2 TYR A 32 12.933 22.451 4.413 1.00 10.34 H new ATOM 0 HE1 TYR A 32 15.949 26.066 5.851 1.00 11.45 H new ATOM 0 HE2 TYR A 32 13.755 22.516 6.728 1.00 50.41 H new ATOM 0 HH TYR A 32 14.996 23.578 8.229 1.00 61.02 H new ATOM 512 N LYS A 33 10.152 23.751 1.831 1.00 12.50 N ATOM 513 CA LYS A 33 8.877 23.162 2.261 1.00 33.51 C ATOM 514 C LYS A 33 8.481 21.988 1.353 1.00 24.55 C ATOM 515 O LYS A 33 8.008 22.194 0.231 1.00 61.13 O ATOM 516 CB LYS A 33 7.776 24.238 2.232 1.00 31.24 C ATOM 517 CG LYS A 33 6.570 23.945 3.123 1.00 55.15 C ATOM 518 CD LYS A 33 6.915 24.112 4.605 1.00 63.40 C ATOM 519 CE LYS A 33 5.678 24.082 5.489 1.00 22.22 C ATOM 520 NZ LYS A 33 4.616 25.007 5.006 1.00 13.13 N ATOM 0 H LYS A 33 10.352 23.649 0.836 1.00 12.50 H new ATOM 0 HA LYS A 33 8.995 22.784 3.277 1.00 33.51 H new ATOM 0 HB2 LYS A 33 8.211 25.191 2.535 1.00 31.24 H new ATOM 0 HB3 LYS A 33 7.431 24.357 1.205 1.00 31.24 H new ATOM 0 HG2 LYS A 33 5.751 24.615 2.861 1.00 55.15 H new ATOM 0 HG3 LYS A 33 6.221 22.929 2.942 1.00 55.15 H new ATOM 0 HD2 LYS A 33 7.597 23.318 4.909 1.00 63.40 H new ATOM 0 HD3 LYS A 33 7.440 25.056 4.750 1.00 63.40 H new ATOM 0 HE2 LYS A 33 5.284 23.066 5.524 1.00 22.22 H new ATOM 0 HE3 LYS A 33 5.956 24.352 6.508 1.00 22.22 H new ATOM 0 HZ1 LYS A 33 4.006 25.281 5.802 1.00 13.13 H new ATOM 0 HZ2 LYS A 33 5.055 25.857 4.598 1.00 13.13 H new ATOM 0 HZ3 LYS A 33 4.044 24.530 4.280 1.00 13.13 H new ATOM 534 N ASP A 34 8.697 20.764 1.827 1.00 40.35 N ATOM 535 CA ASP A 34 8.327 19.561 1.071 1.00 54.14 C ATOM 536 C ASP A 34 7.180 18.800 1.758 1.00 2.21 C ATOM 537 O ASP A 34 6.975 18.927 2.967 1.00 1.41 O ATOM 538 CB ASP A 34 9.551 18.659 0.886 1.00 30.31 C ATOM 539 CG ASP A 34 10.589 19.294 -0.027 1.00 64.20 C ATOM 540 OD1 ASP A 34 10.379 19.288 -1.259 1.00 4.00 O ATOM 541 OD2 ASP A 34 11.616 19.801 0.475 1.00 73.41 O ATOM 0 H ASP A 34 9.127 20.574 2.732 1.00 40.35 H new ATOM 0 HA ASP A 34 7.970 19.870 0.089 1.00 54.14 H new ATOM 0 HB2 ASP A 34 10.000 18.452 1.857 1.00 30.31 H new ATOM 0 HB3 ASP A 34 9.237 17.702 0.469 1.00 30.31 H new ATOM 546 N TYR A 35 6.441 18.002 0.987 1.00 71.02 N ATOM 547 CA TYR A 35 5.211 17.369 1.483 1.00 62.24 C ATOM 548 C TYR A 35 5.389 15.883 1.838 1.00 73.53 C ATOM 549 O TYR A 35 6.360 15.240 1.435 1.00 65.31 O ATOM 550 CB TYR A 35 4.082 17.573 0.464 1.00 51.24 C ATOM 551 CG TYR A 35 3.631 19.021 0.409 1.00 64.30 C ATOM 552 CD1 TYR A 35 4.325 19.964 -0.344 1.00 53.33 C ATOM 553 CD2 TYR A 35 2.534 19.450 1.148 1.00 21.42 C ATOM 554 CE1 TYR A 35 3.941 21.292 -0.351 1.00 15.52 C ATOM 555 CE2 TYR A 35 2.140 20.772 1.135 1.00 53.12 C ATOM 556 CZ TYR A 35 2.847 21.688 0.388 1.00 54.41 C ATOM 557 OH TYR A 35 2.472 23.012 0.404 1.00 21.03 O ATOM 0 H TYR A 35 6.669 17.777 0.019 1.00 71.02 H new ATOM 0 HA TYR A 35 4.947 17.858 2.421 1.00 62.24 H new ATOM 0 HB2 TYR A 35 4.422 17.260 -0.523 1.00 51.24 H new ATOM 0 HB3 TYR A 35 3.236 16.938 0.726 1.00 51.24 H new ATOM 0 HD1 TYR A 35 5.176 19.653 -0.932 1.00 53.33 H new ATOM 0 HD2 TYR A 35 1.982 18.737 1.742 1.00 21.42 H new ATOM 0 HE1 TYR A 35 4.495 22.015 -0.932 1.00 15.52 H new ATOM 0 HE2 TYR A 35 1.281 21.087 1.708 1.00 53.12 H new ATOM 0 HH TYR A 35 1.681 23.121 0.972 1.00 21.03 H new ATOM 567 N GLU A 36 4.424 15.351 2.588 1.00 13.21 N ATOM 568 CA GLU A 36 4.523 14.015 3.194 1.00 20.31 C ATOM 569 C GLU A 36 3.229 13.210 2.974 1.00 70.34 C ATOM 570 O GLU A 36 2.133 13.765 3.008 1.00 40.34 O ATOM 571 CB GLU A 36 4.803 14.179 4.702 1.00 12.21 C ATOM 572 CG GLU A 36 4.861 12.876 5.499 1.00 40.22 C ATOM 573 CD GLU A 36 5.135 13.113 6.983 1.00 11.35 C ATOM 574 OE1 GLU A 36 4.173 13.379 7.741 1.00 52.14 O ATOM 575 OE2 GLU A 36 6.312 13.039 7.398 1.00 41.24 O ATOM 0 H GLU A 36 3.549 15.832 2.795 1.00 13.21 H new ATOM 0 HA GLU A 36 5.336 13.464 2.721 1.00 20.31 H new ATOM 0 HB2 GLU A 36 5.751 14.703 4.824 1.00 12.21 H new ATOM 0 HB3 GLU A 36 4.029 14.815 5.132 1.00 12.21 H new ATOM 0 HG2 GLU A 36 3.917 12.343 5.387 1.00 40.22 H new ATOM 0 HG3 GLU A 36 5.640 12.235 5.086 1.00 40.22 H new ATOM 582 N TYR A 37 3.356 11.904 2.733 1.00 54.51 N ATOM 583 CA TYR A 37 2.187 11.031 2.550 1.00 11.13 C ATOM 584 C TYR A 37 2.411 9.639 3.169 1.00 11.42 C ATOM 585 O TYR A 37 3.186 8.830 2.654 1.00 71.13 O ATOM 586 CB TYR A 37 1.843 10.890 1.057 1.00 73.33 C ATOM 587 CG TYR A 37 1.355 12.172 0.408 1.00 63.12 C ATOM 588 CD1 TYR A 37 0.049 12.614 0.599 1.00 42.32 C ATOM 589 CD2 TYR A 37 2.195 12.939 -0.395 1.00 44.31 C ATOM 590 CE1 TYR A 37 -0.405 13.779 0.011 1.00 43.33 C ATOM 591 CE2 TYR A 37 1.746 14.105 -0.984 1.00 31.21 C ATOM 592 CZ TYR A 37 0.448 14.521 -0.779 1.00 12.24 C ATOM 593 OH TYR A 37 -0.002 15.681 -1.376 1.00 12.35 O ATOM 0 H TYR A 37 4.253 11.425 2.659 1.00 54.51 H new ATOM 0 HA TYR A 37 1.350 11.500 3.068 1.00 11.13 H new ATOM 0 HB2 TYR A 37 2.726 10.539 0.524 1.00 73.33 H new ATOM 0 HB3 TYR A 37 1.077 10.123 0.943 1.00 73.33 H new ATOM 0 HD1 TYR A 37 -0.621 12.036 1.218 1.00 42.32 H new ATOM 0 HD2 TYR A 37 3.213 12.617 -0.560 1.00 44.31 H new ATOM 0 HE1 TYR A 37 -1.422 14.107 0.169 1.00 43.33 H new ATOM 0 HE2 TYR A 37 2.410 14.689 -1.604 1.00 31.21 H new ATOM 0 HH TYR A 37 -0.433 16.249 -0.704 1.00 12.35 H new ATOM 603 N LYS A 38 1.732 9.372 4.285 1.00 22.04 N ATOM 604 CA LYS A 38 1.760 8.051 4.924 1.00 71.11 C ATOM 605 C LYS A 38 0.544 7.219 4.487 1.00 11.14 C ATOM 606 O LYS A 38 -0.564 7.426 4.983 1.00 63.43 O ATOM 607 CB LYS A 38 1.767 8.204 6.455 1.00 60.21 C ATOM 608 CG LYS A 38 1.768 6.875 7.213 1.00 23.24 C ATOM 609 CD LYS A 38 1.650 7.072 8.723 1.00 73.34 C ATOM 610 CE LYS A 38 2.802 7.897 9.288 1.00 32.20 C ATOM 611 NZ LYS A 38 2.722 8.017 10.766 1.00 40.22 N ATOM 0 H LYS A 38 1.152 10.056 4.770 1.00 22.04 H new ATOM 0 HA LYS A 38 2.668 7.535 4.614 1.00 71.11 H new ATOM 0 HB2 LYS A 38 2.646 8.779 6.748 1.00 60.21 H new ATOM 0 HB3 LYS A 38 0.893 8.782 6.756 1.00 60.21 H new ATOM 0 HG2 LYS A 38 0.940 6.258 6.863 1.00 23.24 H new ATOM 0 HG3 LYS A 38 2.686 6.332 6.990 1.00 23.24 H new ATOM 0 HD2 LYS A 38 0.706 7.566 8.951 1.00 73.34 H new ATOM 0 HD3 LYS A 38 1.627 6.099 9.214 1.00 73.34 H new ATOM 0 HE2 LYS A 38 3.750 7.435 9.012 1.00 32.20 H new ATOM 0 HE3 LYS A 38 2.790 8.891 8.841 1.00 32.20 H new ATOM 0 HZ1 LYS A 38 3.522 8.584 11.112 1.00 40.22 H new ATOM 0 HZ2 LYS A 38 1.829 8.481 11.029 1.00 40.22 H new ATOM 0 HZ3 LYS A 38 2.759 7.070 11.194 1.00 40.22 H new ATOM 625 N LEU A 39 0.747 6.293 3.550 1.00 62.22 N ATOM 626 CA LEU A 39 -0.354 5.487 3.001 1.00 33.54 C ATOM 627 C LEU A 39 -0.086 3.982 3.174 1.00 20.44 C ATOM 628 O LEU A 39 1.018 3.568 3.531 1.00 1.50 O ATOM 629 CB LEU A 39 -0.554 5.807 1.506 1.00 1.32 C ATOM 630 CG LEU A 39 -0.667 7.302 1.142 1.00 64.10 C ATOM 631 CD1 LEU A 39 -0.997 7.477 -0.337 1.00 33.53 C ATOM 632 CD2 LEU A 39 -1.705 8.005 2.012 1.00 40.34 C ATOM 0 H LEU A 39 1.662 6.079 3.153 1.00 62.22 H new ATOM 0 HA LEU A 39 -1.259 5.741 3.553 1.00 33.54 H new ATOM 0 HB2 LEU A 39 0.280 5.380 0.949 1.00 1.32 H new ATOM 0 HB3 LEU A 39 -1.457 5.301 1.165 1.00 1.32 H new ATOM 0 HG LEU A 39 0.301 7.765 1.334 1.00 64.10 H new ATOM 0 HD11 LEU A 39 -1.072 8.539 -0.570 1.00 33.53 H new ATOM 0 HD12 LEU A 39 -0.209 7.027 -0.941 1.00 33.53 H new ATOM 0 HD13 LEU A 39 -1.947 6.990 -0.558 1.00 33.53 H new ATOM 0 HD21 LEU A 39 -1.762 9.057 1.732 1.00 40.34 H new ATOM 0 HD22 LEU A 39 -2.679 7.537 1.866 1.00 40.34 H new ATOM 0 HD23 LEU A 39 -1.417 7.924 3.060 1.00 40.34 H new ATOM 644 N THR A 40 -1.105 3.163 2.935 1.00 34.44 N ATOM 645 CA THR A 40 -0.945 1.701 2.957 1.00 62.43 C ATOM 646 C THR A 40 -1.012 1.116 1.546 1.00 31.52 C ATOM 647 O THR A 40 -2.057 1.146 0.896 1.00 0.00 O ATOM 648 CB THR A 40 -2.019 1.011 3.837 1.00 73.22 C ATOM 649 OG1 THR A 40 -1.902 1.448 5.202 1.00 62.52 O ATOM 650 CG2 THR A 40 -1.888 -0.509 3.785 1.00 5.35 C ATOM 0 H THR A 40 -2.051 3.479 2.724 1.00 34.44 H new ATOM 0 HA THR A 40 0.038 1.508 3.387 1.00 62.43 H new ATOM 0 HB THR A 40 -2.996 1.291 3.442 1.00 73.22 H new ATOM 0 HG1 THR A 40 -2.587 1.006 5.747 1.00 62.52 H new ATOM 0 HG21 THR A 40 -2.656 -0.962 4.413 1.00 5.35 H new ATOM 0 HG22 THR A 40 -2.012 -0.850 2.757 1.00 5.35 H new ATOM 0 HG23 THR A 40 -0.903 -0.802 4.148 1.00 5.35 H new ATOM 658 N GLY A 41 0.112 0.591 1.074 1.00 75.23 N ATOM 659 CA GLY A 41 0.149 -0.058 -0.225 1.00 72.40 C ATOM 660 C GLY A 41 -0.609 -1.381 -0.238 1.00 72.42 C ATOM 661 O GLY A 41 -0.202 -2.340 0.418 1.00 45.05 O ATOM 0 H GLY A 41 1.003 0.603 1.570 1.00 75.23 H new ATOM 0 HA2 GLY A 41 -0.278 0.609 -0.973 1.00 72.40 H new ATOM 0 HA3 GLY A 41 1.186 -0.234 -0.510 1.00 72.40 H new ATOM 665 N PHE A 42 -1.714 -1.435 -0.975 1.00 10.43 N ATOM 666 CA PHE A 42 -2.519 -2.657 -1.061 1.00 5.22 C ATOM 667 C PHE A 42 -2.034 -3.543 -2.212 1.00 2.24 C ATOM 668 O PHE A 42 -2.094 -3.156 -3.380 1.00 43.02 O ATOM 669 CB PHE A 42 -4.003 -2.314 -1.244 1.00 12.55 C ATOM 670 CG PHE A 42 -4.566 -1.472 -0.127 1.00 43.13 C ATOM 671 CD1 PHE A 42 -4.719 -1.999 1.151 1.00 64.15 C ATOM 672 CD2 PHE A 42 -4.933 -0.151 -0.348 1.00 20.43 C ATOM 673 CE1 PHE A 42 -5.229 -1.228 2.177 1.00 32.40 C ATOM 674 CE2 PHE A 42 -5.443 0.623 0.677 1.00 52.54 C ATOM 675 CZ PHE A 42 -5.591 0.084 1.940 1.00 3.13 C ATOM 0 H PHE A 42 -2.075 -0.652 -1.521 1.00 10.43 H new ATOM 0 HA PHE A 42 -2.402 -3.207 -0.127 1.00 5.22 H new ATOM 0 HB2 PHE A 42 -4.132 -1.785 -2.188 1.00 12.55 H new ATOM 0 HB3 PHE A 42 -4.576 -3.239 -1.316 1.00 12.55 H new ATOM 0 HD1 PHE A 42 -4.436 -3.023 1.343 1.00 64.15 H new ATOM 0 HD2 PHE A 42 -4.818 0.277 -1.333 1.00 20.43 H new ATOM 0 HE1 PHE A 42 -5.345 -1.651 3.164 1.00 32.40 H new ATOM 0 HE2 PHE A 42 -5.726 1.649 0.491 1.00 52.54 H new ATOM 0 HZ PHE A 42 -5.989 0.688 2.742 1.00 3.13 H new ATOM 685 N ASP A 43 -1.540 -4.727 -1.870 1.00 24.15 N ATOM 686 CA ASP A 43 -0.951 -5.631 -2.857 1.00 1.42 C ATOM 687 C ASP A 43 -2.011 -6.223 -3.802 1.00 75.43 C ATOM 688 O ASP A 43 -3.190 -6.314 -3.456 1.00 62.41 O ATOM 689 CB ASP A 43 -0.180 -6.745 -2.144 1.00 33.32 C ATOM 690 CG ASP A 43 0.558 -7.646 -3.113 1.00 43.14 C ATOM 691 OD1 ASP A 43 1.649 -7.257 -3.577 1.00 74.33 O ATOM 692 OD2 ASP A 43 0.035 -8.736 -3.437 1.00 22.23 O ATOM 0 H ASP A 43 -1.535 -5.086 -0.915 1.00 24.15 H new ATOM 0 HA ASP A 43 -0.263 -5.053 -3.473 1.00 1.42 H new ATOM 0 HB2 ASP A 43 0.533 -6.302 -1.448 1.00 33.32 H new ATOM 0 HB3 ASP A 43 -0.874 -7.342 -1.552 1.00 33.32 H new ATOM 697 N LYS A 44 -1.560 -6.648 -4.983 1.00 45.51 N ATOM 698 CA LYS A 44 -2.439 -7.157 -6.046 1.00 33.10 C ATOM 699 C LYS A 44 -3.420 -8.230 -5.537 1.00 13.23 C ATOM 700 O LYS A 44 -4.598 -8.229 -5.897 1.00 41.20 O ATOM 701 CB LYS A 44 -1.585 -7.739 -7.182 1.00 63.34 C ATOM 702 CG LYS A 44 -0.493 -6.792 -7.682 1.00 12.12 C ATOM 703 CD LYS A 44 0.393 -7.453 -8.736 1.00 2.41 C ATOM 704 CE LYS A 44 1.577 -6.570 -9.118 1.00 2.31 C ATOM 705 NZ LYS A 44 2.464 -7.230 -10.114 1.00 23.25 N ATOM 0 H LYS A 44 -0.571 -6.650 -5.234 1.00 45.51 H new ATOM 0 HA LYS A 44 -3.034 -6.318 -6.407 1.00 33.10 H new ATOM 0 HB2 LYS A 44 -1.121 -8.664 -6.838 1.00 63.34 H new ATOM 0 HB3 LYS A 44 -2.236 -8.000 -8.016 1.00 63.34 H new ATOM 0 HG2 LYS A 44 -0.952 -5.898 -8.103 1.00 12.12 H new ATOM 0 HG3 LYS A 44 0.121 -6.470 -6.841 1.00 12.12 H new ATOM 0 HD2 LYS A 44 0.759 -8.407 -8.356 1.00 2.41 H new ATOM 0 HD3 LYS A 44 -0.200 -7.670 -9.625 1.00 2.41 H new ATOM 0 HE2 LYS A 44 1.210 -5.628 -9.526 1.00 2.31 H new ATOM 0 HE3 LYS A 44 2.152 -6.328 -8.224 1.00 2.31 H new ATOM 0 HZ1 LYS A 44 3.441 -6.898 -9.982 1.00 23.25 H new ATOM 0 HZ2 LYS A 44 2.428 -8.261 -9.982 1.00 23.25 H new ATOM 0 HZ3 LYS A 44 2.144 -6.993 -11.075 1.00 23.25 H new ATOM 719 N ASP A 45 -2.927 -9.138 -4.698 1.00 15.23 N ATOM 720 CA ASP A 45 -3.750 -10.236 -4.172 1.00 52.33 C ATOM 721 C ASP A 45 -4.760 -9.731 -3.120 1.00 23.54 C ATOM 722 O ASP A 45 -5.812 -10.339 -2.905 1.00 74.40 O ATOM 723 CB ASP A 45 -2.838 -11.315 -3.571 1.00 1.12 C ATOM 724 CG ASP A 45 -3.593 -12.577 -3.186 1.00 51.14 C ATOM 725 OD1 ASP A 45 -3.829 -13.426 -4.073 1.00 71.44 O ATOM 726 OD2 ASP A 45 -3.948 -12.731 -2.000 1.00 42.52 O ATOM 0 H ASP A 45 -1.963 -9.139 -4.365 1.00 15.23 H new ATOM 0 HA ASP A 45 -4.324 -10.663 -4.994 1.00 52.33 H new ATOM 0 HB2 ASP A 45 -2.059 -11.568 -4.291 1.00 1.12 H new ATOM 0 HB3 ASP A 45 -2.339 -10.913 -2.690 1.00 1.12 H new ATOM 731 N GLY A 46 -4.441 -8.603 -2.486 1.00 71.22 N ATOM 732 CA GLY A 46 -5.293 -8.054 -1.430 1.00 13.41 C ATOM 733 C GLY A 46 -4.589 -7.956 -0.079 1.00 1.34 C ATOM 734 O GLY A 46 -5.224 -8.066 0.972 1.00 21.43 O ATOM 0 H GLY A 46 -3.604 -8.054 -2.683 1.00 71.22 H new ATOM 0 HA2 GLY A 46 -5.635 -7.063 -1.727 1.00 13.41 H new ATOM 0 HA3 GLY A 46 -6.180 -8.679 -1.326 1.00 13.41 H new ATOM 738 N LYS A 47 -3.275 -7.737 -0.105 1.00 41.30 N ATOM 739 CA LYS A 47 -2.474 -7.648 1.125 1.00 75.21 C ATOM 740 C LYS A 47 -2.275 -6.185 1.556 1.00 24.32 C ATOM 741 O LYS A 47 -2.590 -5.258 0.808 1.00 20.10 O ATOM 742 CB LYS A 47 -1.096 -8.289 0.901 1.00 11.42 C ATOM 743 CG LYS A 47 -1.132 -9.645 0.203 1.00 61.41 C ATOM 744 CD LYS A 47 -1.805 -10.720 1.052 1.00 52.03 C ATOM 745 CE LYS A 47 -1.764 -12.081 0.364 1.00 30.12 C ATOM 746 NZ LYS A 47 -0.376 -12.483 0.013 1.00 44.51 N ATOM 0 H LYS A 47 -2.738 -7.617 -0.964 1.00 41.30 H new ATOM 0 HA LYS A 47 -3.013 -8.178 1.911 1.00 75.21 H new ATOM 0 HB2 LYS A 47 -0.484 -7.607 0.310 1.00 11.42 H new ATOM 0 HB3 LYS A 47 -0.603 -8.405 1.866 1.00 11.42 H new ATOM 0 HG2 LYS A 47 -1.663 -9.549 -0.744 1.00 61.41 H new ATOM 0 HG3 LYS A 47 -0.114 -9.956 -0.032 1.00 61.41 H new ATOM 0 HD2 LYS A 47 -1.308 -10.785 2.020 1.00 52.03 H new ATOM 0 HD3 LYS A 47 -2.841 -10.439 1.244 1.00 52.03 H new ATOM 0 HE2 LYS A 47 -2.205 -12.832 1.019 1.00 30.12 H new ATOM 0 HE3 LYS A 47 -2.372 -12.049 -0.540 1.00 30.12 H new ATOM 0 HZ1 LYS A 47 -0.346 -13.507 -0.164 1.00 44.51 H new ATOM 0 HZ2 LYS A 47 -0.073 -11.975 -0.842 1.00 44.51 H new ATOM 0 HZ3 LYS A 47 0.263 -12.249 0.800 1.00 44.51 H new ATOM 760 N GLU A 48 -1.727 -5.983 2.753 1.00 14.31 N ATOM 761 CA GLU A 48 -1.384 -4.638 3.236 1.00 74.51 C ATOM 762 C GLU A 48 0.142 -4.453 3.304 1.00 42.01 C ATOM 763 O GLU A 48 0.872 -5.351 3.737 1.00 51.43 O ATOM 764 CB GLU A 48 -2.012 -4.361 4.617 1.00 62.12 C ATOM 765 CG GLU A 48 -1.543 -5.286 5.743 1.00 41.30 C ATOM 766 CD GLU A 48 -2.189 -6.664 5.702 1.00 71.31 C ATOM 767 OE1 GLU A 48 -3.286 -6.827 6.274 1.00 51.53 O ATOM 768 OE2 GLU A 48 -1.605 -7.591 5.098 1.00 41.13 O ATOM 0 H GLU A 48 -1.509 -6.732 3.410 1.00 14.31 H new ATOM 0 HA GLU A 48 -1.793 -3.921 2.524 1.00 74.51 H new ATOM 0 HB2 GLU A 48 -1.792 -3.331 4.899 1.00 62.12 H new ATOM 0 HB3 GLU A 48 -3.095 -4.443 4.529 1.00 62.12 H new ATOM 0 HG2 GLU A 48 -0.460 -5.398 5.684 1.00 41.30 H new ATOM 0 HG3 GLU A 48 -1.763 -4.818 6.703 1.00 41.30 H new ATOM 775 N LYS A 49 0.624 -3.292 2.865 1.00 52.20 N ATOM 776 CA LYS A 49 2.062 -2.997 2.873 1.00 1.23 C ATOM 777 C LYS A 49 2.327 -1.541 3.293 1.00 3.41 C ATOM 778 O LYS A 49 1.628 -0.621 2.868 1.00 10.24 O ATOM 779 CB LYS A 49 2.657 -3.283 1.483 1.00 2.41 C ATOM 780 CG LYS A 49 4.181 -3.185 1.418 1.00 30.42 C ATOM 781 CD LYS A 49 4.739 -3.742 0.104 1.00 3.22 C ATOM 782 CE LYS A 49 4.377 -5.215 -0.084 1.00 42.13 C ATOM 783 NZ LYS A 49 5.027 -5.813 -1.279 1.00 23.21 N ATOM 0 H LYS A 49 0.043 -2.538 2.499 1.00 52.20 H new ATOM 0 HA LYS A 49 2.547 -3.642 3.606 1.00 1.23 H new ATOM 0 HB2 LYS A 49 2.355 -4.283 1.170 1.00 2.41 H new ATOM 0 HB3 LYS A 49 2.229 -2.582 0.766 1.00 2.41 H new ATOM 0 HG2 LYS A 49 4.482 -2.143 1.526 1.00 30.42 H new ATOM 0 HG3 LYS A 49 4.615 -3.731 2.256 1.00 30.42 H new ATOM 0 HD2 LYS A 49 4.349 -3.162 -0.732 1.00 3.22 H new ATOM 0 HD3 LYS A 49 5.823 -3.629 0.092 1.00 3.22 H new ATOM 0 HE2 LYS A 49 4.672 -5.774 0.804 1.00 42.13 H new ATOM 0 HE3 LYS A 49 3.295 -5.311 -0.177 1.00 42.13 H new ATOM 0 HZ1 LYS A 49 5.131 -6.839 -1.141 1.00 23.21 H new ATOM 0 HZ2 LYS A 49 4.441 -5.634 -2.119 1.00 23.21 H new ATOM 0 HZ3 LYS A 49 5.965 -5.385 -1.414 1.00 23.21 H new ATOM 797 N GLU A 50 3.338 -1.345 4.135 1.00 70.50 N ATOM 798 CA GLU A 50 3.680 -0.009 4.652 1.00 31.12 C ATOM 799 C GLU A 50 4.266 0.887 3.547 1.00 61.12 C ATOM 800 O GLU A 50 5.274 0.539 2.923 1.00 53.43 O ATOM 801 CB GLU A 50 4.677 -0.155 5.810 1.00 15.42 C ATOM 802 CG GLU A 50 4.161 -1.041 6.941 1.00 13.35 C ATOM 803 CD GLU A 50 5.237 -1.394 7.957 1.00 62.51 C ATOM 804 OE1 GLU A 50 6.004 -2.347 7.707 1.00 71.25 O ATOM 805 OE2 GLU A 50 5.312 -0.734 9.015 1.00 41.24 O ATOM 0 H GLU A 50 3.941 -2.093 4.479 1.00 70.50 H new ATOM 0 HA GLU A 50 2.769 0.470 5.011 1.00 31.12 H new ATOM 0 HB2 GLU A 50 5.609 -0.571 5.428 1.00 15.42 H new ATOM 0 HB3 GLU A 50 4.909 0.833 6.208 1.00 15.42 H new ATOM 0 HG2 GLU A 50 3.342 -0.532 7.449 1.00 13.35 H new ATOM 0 HG3 GLU A 50 3.753 -1.959 6.519 1.00 13.35 H new ATOM 812 N LEU A 51 3.646 2.047 3.316 1.00 10.32 N ATOM 813 CA LEU A 51 4.033 2.921 2.199 1.00 22.41 C ATOM 814 C LEU A 51 4.090 4.406 2.613 1.00 5.30 C ATOM 815 O LEU A 51 3.115 5.146 2.473 1.00 70.44 O ATOM 816 CB LEU A 51 3.056 2.729 1.027 1.00 3.22 C ATOM 817 CG LEU A 51 3.503 3.332 -0.311 1.00 20.22 C ATOM 818 CD1 LEU A 51 4.765 2.640 -0.818 1.00 51.21 C ATOM 819 CD2 LEU A 51 2.379 3.243 -1.340 1.00 12.21 C ATOM 0 H LEU A 51 2.877 2.404 3.883 1.00 10.32 H new ATOM 0 HA LEU A 51 5.039 2.637 1.889 1.00 22.41 H new ATOM 0 HB2 LEU A 51 2.890 1.661 0.887 1.00 3.22 H new ATOM 0 HB3 LEU A 51 2.097 3.168 1.301 1.00 3.22 H new ATOM 0 HG LEU A 51 3.737 4.385 -0.155 1.00 20.22 H new ATOM 0 HD11 LEU A 51 5.066 3.082 -1.768 1.00 51.21 H new ATOM 0 HD12 LEU A 51 5.566 2.765 -0.090 1.00 51.21 H new ATOM 0 HD13 LEU A 51 4.566 1.578 -0.959 1.00 51.21 H new ATOM 0 HD21 LEU A 51 2.714 3.675 -2.283 1.00 12.21 H new ATOM 0 HD22 LEU A 51 2.110 2.198 -1.495 1.00 12.21 H new ATOM 0 HD23 LEU A 51 1.510 3.792 -0.978 1.00 12.21 H new ATOM 831 N GLU A 52 5.240 4.830 3.132 1.00 71.24 N ATOM 832 CA GLU A 52 5.457 6.231 3.519 1.00 11.54 C ATOM 833 C GLU A 52 6.355 6.944 2.497 1.00 4.13 C ATOM 834 O GLU A 52 7.549 6.651 2.402 1.00 65.13 O ATOM 835 CB GLU A 52 6.103 6.320 4.913 1.00 74.50 C ATOM 836 CG GLU A 52 5.218 5.843 6.065 1.00 73.31 C ATOM 837 CD GLU A 52 4.917 4.350 6.033 1.00 53.21 C ATOM 838 OE1 GLU A 52 5.867 3.546 6.141 1.00 34.52 O ATOM 839 OE2 GLU A 52 3.729 3.976 5.934 1.00 31.34 O ATOM 0 H GLU A 52 6.043 4.223 3.297 1.00 71.24 H new ATOM 0 HA GLU A 52 4.484 6.721 3.545 1.00 11.54 H new ATOM 0 HB2 GLU A 52 7.020 5.731 4.911 1.00 74.50 H new ATOM 0 HB3 GLU A 52 6.390 7.355 5.099 1.00 74.50 H new ATOM 0 HG2 GLU A 52 5.705 6.086 7.009 1.00 73.31 H new ATOM 0 HG3 GLU A 52 4.278 6.394 6.041 1.00 73.31 H new ATOM 846 N PHE A 53 5.791 7.886 1.738 1.00 33.34 N ATOM 847 CA PHE A 53 6.572 8.610 0.721 1.00 53.24 C ATOM 848 C PHE A 53 6.373 10.132 0.808 1.00 44.41 C ATOM 849 O PHE A 53 5.413 10.619 1.405 1.00 0.53 O ATOM 850 CB PHE A 53 6.231 8.104 -0.692 1.00 64.03 C ATOM 851 CG PHE A 53 4.792 8.300 -1.100 1.00 4.52 C ATOM 852 CD1 PHE A 53 3.816 7.392 -0.713 1.00 54.33 C ATOM 853 CD2 PHE A 53 4.417 9.386 -1.882 1.00 33.23 C ATOM 854 CE1 PHE A 53 2.501 7.565 -1.097 1.00 74.02 C ATOM 855 CE2 PHE A 53 3.103 9.560 -2.264 1.00 51.42 C ATOM 856 CZ PHE A 53 2.145 8.651 -1.871 1.00 61.53 C ATOM 0 H PHE A 53 4.812 8.166 1.802 1.00 33.34 H new ATOM 0 HA PHE A 53 7.623 8.408 0.925 1.00 53.24 H new ATOM 0 HB2 PHE A 53 6.871 8.615 -1.411 1.00 64.03 H new ATOM 0 HB3 PHE A 53 6.470 7.042 -0.751 1.00 64.03 H new ATOM 0 HD1 PHE A 53 4.088 6.542 -0.105 1.00 54.33 H new ATOM 0 HD2 PHE A 53 5.163 10.102 -2.194 1.00 33.23 H new ATOM 0 HE1 PHE A 53 1.751 6.850 -0.792 1.00 74.02 H new ATOM 0 HE2 PHE A 53 2.825 10.409 -2.871 1.00 51.42 H new ATOM 0 HZ PHE A 53 1.116 8.788 -2.168 1.00 61.53 H new ATOM 866 N THR A 54 7.300 10.879 0.210 1.00 4.20 N ATOM 867 CA THR A 54 7.252 12.350 0.213 1.00 21.51 C ATOM 868 C THR A 54 6.892 12.903 -1.174 1.00 40.44 C ATOM 869 O THR A 54 6.887 12.172 -2.168 1.00 72.23 O ATOM 870 CB THR A 54 8.610 12.959 0.646 1.00 11.31 C ATOM 871 OG1 THR A 54 9.641 12.566 -0.275 1.00 23.14 O ATOM 872 CG2 THR A 54 8.991 12.514 2.057 1.00 41.24 C ATOM 0 H THR A 54 8.101 10.491 -0.288 1.00 4.20 H new ATOM 0 HA THR A 54 6.480 12.632 0.929 1.00 21.51 H new ATOM 0 HB THR A 54 8.507 14.044 0.642 1.00 11.31 H new ATOM 0 HG1 THR A 54 10.495 12.956 0.005 1.00 23.14 H new ATOM 0 HG21 THR A 54 9.948 12.957 2.332 1.00 41.24 H new ATOM 0 HG22 THR A 54 8.225 12.839 2.760 1.00 41.24 H new ATOM 0 HG23 THR A 54 9.073 11.427 2.086 1.00 41.24 H new ATOM 880 N ALA A 55 6.610 14.205 -1.240 1.00 11.11 N ATOM 881 CA ALA A 55 6.270 14.863 -2.505 1.00 22.24 C ATOM 882 C ALA A 55 6.823 16.295 -2.562 1.00 20.30 C ATOM 883 O ALA A 55 7.150 16.895 -1.536 1.00 0.44 O ATOM 884 CB ALA A 55 4.758 14.870 -2.707 1.00 13.13 C ATOM 0 H ALA A 55 6.610 14.827 -0.431 1.00 11.11 H new ATOM 0 HA ALA A 55 6.734 14.296 -3.312 1.00 22.24 H new ATOM 0 HB1 ALA A 55 4.519 15.362 -3.650 1.00 13.13 H new ATOM 0 HB2 ALA A 55 4.389 13.845 -2.729 1.00 13.13 H new ATOM 0 HB3 ALA A 55 4.284 15.409 -1.887 1.00 13.13 H new ATOM 890 N GLN A 56 6.932 16.832 -3.775 1.00 74.01 N ATOM 891 CA GLN A 56 7.398 18.211 -3.987 1.00 50.33 C ATOM 892 C GLN A 56 6.211 19.180 -4.128 1.00 61.02 C ATOM 893 O GLN A 56 6.398 20.386 -4.290 1.00 41.13 O ATOM 894 CB GLN A 56 8.273 18.279 -5.248 1.00 74.42 C ATOM 895 CG GLN A 56 7.564 17.805 -6.518 1.00 4.22 C ATOM 896 CD GLN A 56 8.421 17.944 -7.766 1.00 32.04 C ATOM 897 OE1 GLN A 56 9.255 18.840 -7.871 1.00 3.01 O ATOM 898 NE2 GLN A 56 8.231 17.055 -8.720 1.00 10.02 N ATOM 0 H GLN A 56 6.703 16.333 -4.635 1.00 74.01 H new ATOM 0 HA GLN A 56 7.985 18.509 -3.118 1.00 50.33 H new ATOM 0 HB2 GLN A 56 8.607 19.306 -5.392 1.00 74.42 H new ATOM 0 HB3 GLN A 56 9.165 17.672 -5.093 1.00 74.42 H new ATOM 0 HG2 GLN A 56 7.275 16.761 -6.397 1.00 4.22 H new ATOM 0 HG3 GLN A 56 6.646 18.377 -6.649 1.00 4.22 H new ATOM 0 HE21 GLN A 56 7.531 16.323 -8.603 1.00 10.02 H new ATOM 0 HE22 GLN A 56 8.784 17.099 -9.576 1.00 10.02 H new ATOM 907 N LYS A 57 4.996 18.635 -4.071 1.00 13.25 N ATOM 908 CA LYS A 57 3.769 19.419 -4.255 1.00 41.42 C ATOM 909 C LYS A 57 2.555 18.667 -3.685 1.00 10.10 C ATOM 910 O LYS A 57 2.499 17.438 -3.741 1.00 75.23 O ATOM 911 CB LYS A 57 3.556 19.719 -5.756 1.00 25.25 C ATOM 912 CG LYS A 57 3.714 21.195 -6.127 1.00 65.20 C ATOM 913 CD LYS A 57 2.557 22.040 -5.599 1.00 24.22 C ATOM 914 CE LYS A 57 2.794 23.528 -5.821 1.00 31.00 C ATOM 915 NZ LYS A 57 3.108 23.847 -7.239 1.00 25.00 N ATOM 0 H LYS A 57 4.832 17.643 -3.897 1.00 13.25 H new ATOM 0 HA LYS A 57 3.873 20.360 -3.715 1.00 41.42 H new ATOM 0 HB2 LYS A 57 4.267 19.131 -6.337 1.00 25.25 H new ATOM 0 HB3 LYS A 57 2.558 19.388 -6.044 1.00 25.25 H new ATOM 0 HG2 LYS A 57 4.653 21.573 -5.723 1.00 65.20 H new ATOM 0 HG3 LYS A 57 3.771 21.293 -7.211 1.00 65.20 H new ATOM 0 HD2 LYS A 57 1.633 21.741 -6.095 1.00 24.22 H new ATOM 0 HD3 LYS A 57 2.424 21.848 -4.534 1.00 24.22 H new ATOM 0 HE2 LYS A 57 1.908 24.084 -5.514 1.00 31.00 H new ATOM 0 HE3 LYS A 57 3.615 23.861 -5.186 1.00 31.00 H new ATOM 0 HZ1 LYS A 57 3.094 24.878 -7.374 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 4.051 23.479 -7.477 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 2.399 23.407 -7.859 1.00 25.00 H new ATOM 929 N ASN A 58 1.595 19.406 -3.131 1.00 53.22 N ATOM 930 CA ASN A 58 0.374 18.802 -2.588 1.00 2.10 C ATOM 931 C ASN A 58 -0.636 18.523 -3.713 1.00 41.15 C ATOM 932 O ASN A 58 -0.990 19.427 -4.477 1.00 55.14 O ATOM 933 CB ASN A 58 -0.256 19.732 -1.544 1.00 1.45 C ATOM 934 CG ASN A 58 -1.379 19.065 -0.762 1.00 13.42 C ATOM 935 OD1 ASN A 58 -1.331 17.874 -0.475 1.00 10.43 O ATOM 936 ND2 ASN A 58 -2.398 19.821 -0.413 1.00 30.42 N ATOM 0 H ASN A 58 1.636 20.422 -3.045 1.00 53.22 H new ATOM 0 HA ASN A 58 0.639 17.858 -2.113 1.00 2.10 H new ATOM 0 HB2 ASN A 58 0.515 20.067 -0.850 1.00 1.45 H new ATOM 0 HB3 ASN A 58 -0.644 20.620 -2.042 1.00 1.45 H new ATOM 0 HD21 ASN A 58 -3.176 19.419 0.110 1.00 30.42 H new ATOM 0 HD22 ASN A 58 -2.410 20.809 -0.666 1.00 30.42 H new ATOM 943 N LEU A 59 -1.089 17.277 -3.823 1.00 55.42 N ATOM 944 CA LEU A 59 -2.081 16.910 -4.843 1.00 72.15 C ATOM 945 C LEU A 59 -3.487 16.751 -4.233 1.00 40.34 C ATOM 946 O LEU A 59 -3.740 17.178 -3.104 1.00 72.44 O ATOM 947 CB LEU A 59 -1.666 15.630 -5.590 1.00 33.45 C ATOM 948 CG LEU A 59 -1.418 14.386 -4.713 1.00 3.22 C ATOM 949 CD1 LEU A 59 -1.780 13.114 -5.476 1.00 31.55 C ATOM 950 CD2 LEU A 59 0.039 14.331 -4.255 1.00 55.21 C ATOM 0 H LEU A 59 -0.791 16.506 -3.226 1.00 55.42 H new ATOM 0 HA LEU A 59 -2.119 17.727 -5.564 1.00 72.15 H new ATOM 0 HB2 LEU A 59 -2.442 15.389 -6.316 1.00 33.45 H new ATOM 0 HB3 LEU A 59 -0.757 15.840 -6.153 1.00 33.45 H new ATOM 0 HG LEU A 59 -2.055 14.458 -3.831 1.00 3.22 H new ATOM 0 HD11 LEU A 59 -1.599 12.246 -4.842 1.00 31.55 H new ATOM 0 HD12 LEU A 59 -2.833 13.145 -5.757 1.00 31.55 H new ATOM 0 HD13 LEU A 59 -1.167 13.042 -6.374 1.00 31.55 H new ATOM 0 HD21 LEU A 59 0.193 13.446 -3.638 1.00 55.21 H new ATOM 0 HD22 LEU A 59 0.693 14.284 -5.126 1.00 55.21 H new ATOM 0 HD23 LEU A 59 0.272 15.224 -3.674 1.00 55.21 H new ATOM 962 N ARG A 60 -4.405 16.145 -4.989 1.00 54.21 N ATOM 963 CA ARG A 60 -5.816 16.080 -4.594 1.00 44.05 C ATOM 964 C ARG A 60 -6.120 14.897 -3.655 1.00 73.02 C ATOM 965 O ARG A 60 -5.786 13.746 -3.946 1.00 4.43 O ATOM 966 CB ARG A 60 -6.697 16.003 -5.847 1.00 11.41 C ATOM 967 CG ARG A 60 -6.448 17.148 -6.825 1.00 41.21 C ATOM 968 CD ARG A 60 -7.424 17.123 -7.992 1.00 43.43 C ATOM 969 NE ARG A 60 -7.363 15.874 -8.746 1.00 63.40 N ATOM 970 CZ ARG A 60 -8.375 15.370 -9.399 1.00 25.21 C ATOM 971 NH1 ARG A 60 -9.524 15.972 -9.408 1.00 71.01 N ATOM 972 NH2 ARG A 60 -8.242 14.267 -10.050 1.00 1.22 N ATOM 0 H ARG A 60 -4.198 15.692 -5.879 1.00 54.21 H new ATOM 0 HA ARG A 60 -6.039 16.988 -4.034 1.00 44.05 H new ATOM 0 HB2 ARG A 60 -6.516 15.055 -6.353 1.00 11.41 H new ATOM 0 HB3 ARG A 60 -7.745 16.010 -5.548 1.00 11.41 H new ATOM 0 HG2 ARG A 60 -6.535 18.099 -6.300 1.00 41.21 H new ATOM 0 HG3 ARG A 60 -5.428 17.086 -7.204 1.00 41.21 H new ATOM 0 HD2 ARG A 60 -8.437 17.268 -7.617 1.00 43.43 H new ATOM 0 HD3 ARG A 60 -7.209 17.957 -8.659 1.00 43.43 H new ATOM 0 HE ARG A 60 -6.479 15.366 -8.764 1.00 63.40 H new ATOM 0 HH11 ARG A 60 -9.644 16.849 -8.901 1.00 71.01 H new ATOM 0 HH12 ARG A 60 -10.307 15.568 -9.922 1.00 71.01 H new ATOM 0 HH21 ARG A 60 -7.344 13.784 -10.057 1.00 1.22 H new ATOM 0 HH22 ARG A 60 -9.035 13.876 -10.559 1.00 1.22 H new ATOM 986 N LYS A 61 -6.762 15.206 -2.528 1.00 12.23 N ATOM 987 CA LYS A 61 -7.179 14.197 -1.540 1.00 30.05 C ATOM 988 C LYS A 61 -8.093 13.116 -2.151 1.00 12.22 C ATOM 989 O LYS A 61 -8.782 13.351 -3.151 1.00 52.54 O ATOM 990 CB LYS A 61 -7.902 14.875 -0.359 1.00 63.21 C ATOM 991 CG LYS A 61 -9.293 15.431 -0.690 1.00 60.41 C ATOM 992 CD LYS A 61 -9.232 16.567 -1.708 1.00 65.40 C ATOM 993 CE LYS A 61 -10.618 17.074 -2.092 1.00 34.13 C ATOM 994 NZ LYS A 61 -10.546 18.146 -3.123 1.00 63.43 N ATOM 0 H LYS A 61 -7.010 16.161 -2.270 1.00 12.23 H new ATOM 0 HA LYS A 61 -6.273 13.704 -1.189 1.00 30.05 H new ATOM 0 HB2 LYS A 61 -7.998 14.154 0.452 1.00 63.21 H new ATOM 0 HB3 LYS A 61 -7.279 15.689 0.011 1.00 63.21 H new ATOM 0 HG2 LYS A 61 -9.920 14.629 -1.080 1.00 60.41 H new ATOM 0 HG3 LYS A 61 -9.766 15.789 0.224 1.00 60.41 H new ATOM 0 HD2 LYS A 61 -8.648 17.390 -1.296 1.00 65.40 H new ATOM 0 HD3 LYS A 61 -8.712 16.223 -2.602 1.00 65.40 H new ATOM 0 HE2 LYS A 61 -11.217 16.245 -2.470 1.00 34.13 H new ATOM 0 HE3 LYS A 61 -11.125 17.455 -1.205 1.00 34.13 H new ATOM 0 HZ1 LYS A 61 -11.507 18.466 -3.359 1.00 63.43 H new ATOM 0 HZ2 LYS A 61 -9.996 18.947 -2.753 1.00 63.43 H new ATOM 0 HZ3 LYS A 61 -10.085 17.775 -3.978 1.00 63.43 H new ATOM 1008 N GLU A 62 -8.066 11.927 -1.546 1.00 44.30 N ATOM 1009 CA GLU A 62 -8.912 10.785 -1.946 1.00 52.12 C ATOM 1010 C GLU A 62 -8.545 10.209 -3.339 1.00 12.35 C ATOM 1011 O GLU A 62 -8.968 9.101 -3.687 1.00 11.14 O ATOM 1012 CB GLU A 62 -10.404 11.171 -1.900 1.00 40.40 C ATOM 1013 CG GLU A 62 -11.355 9.986 -2.051 1.00 44.22 C ATOM 1014 CD GLU A 62 -12.823 10.389 -2.011 1.00 13.12 C ATOM 1015 OE1 GLU A 62 -13.351 10.819 -3.058 1.00 20.21 O ATOM 1016 OE2 GLU A 62 -13.453 10.276 -0.940 1.00 64.33 O ATOM 0 H GLU A 62 -7.453 11.721 -0.757 1.00 44.30 H new ATOM 0 HA GLU A 62 -8.720 9.993 -1.222 1.00 52.12 H new ATOM 0 HB2 GLU A 62 -10.611 11.672 -0.954 1.00 40.40 H new ATOM 0 HB3 GLU A 62 -10.608 11.891 -2.693 1.00 40.40 H new ATOM 0 HG2 GLU A 62 -11.149 9.480 -2.994 1.00 44.22 H new ATOM 0 HG3 GLU A 62 -11.160 9.267 -1.255 1.00 44.22 H new ATOM 1023 N ALA A 63 -7.755 10.944 -4.127 1.00 41.21 N ATOM 1024 CA ALA A 63 -7.332 10.482 -5.457 1.00 73.45 C ATOM 1025 C ALA A 63 -6.342 9.311 -5.349 1.00 64.32 C ATOM 1026 O ALA A 63 -5.548 9.245 -4.411 1.00 52.12 O ATOM 1027 CB ALA A 63 -6.715 11.635 -6.246 1.00 44.14 C ATOM 0 H ALA A 63 -7.394 11.862 -3.869 1.00 41.21 H new ATOM 0 HA ALA A 63 -8.214 10.125 -5.989 1.00 73.45 H new ATOM 0 HB1 ALA A 63 -6.406 11.279 -7.229 1.00 44.14 H new ATOM 0 HB2 ALA A 63 -7.451 12.431 -6.363 1.00 44.14 H new ATOM 0 HB3 ALA A 63 -5.847 12.019 -5.710 1.00 44.14 H new ATOM 1033 N PHE A 64 -6.397 8.391 -6.311 1.00 24.14 N ATOM 1034 CA PHE A 64 -5.554 7.191 -6.286 1.00 71.10 C ATOM 1035 C PHE A 64 -4.234 7.406 -7.039 1.00 11.23 C ATOM 1036 O PHE A 64 -4.219 7.595 -8.252 1.00 62.00 O ATOM 1037 CB PHE A 64 -6.313 5.998 -6.891 1.00 12.34 C ATOM 1038 CG PHE A 64 -7.475 5.525 -6.051 1.00 75.14 C ATOM 1039 CD1 PHE A 64 -8.687 6.203 -6.064 1.00 44.23 C ATOM 1040 CD2 PHE A 64 -7.354 4.398 -5.246 1.00 34.13 C ATOM 1041 CE1 PHE A 64 -9.752 5.766 -5.296 1.00 60.43 C ATOM 1042 CE2 PHE A 64 -8.417 3.960 -4.478 1.00 32.42 C ATOM 1043 CZ PHE A 64 -9.616 4.645 -4.503 1.00 3.45 C ATOM 0 H PHE A 64 -7.016 8.452 -7.119 1.00 24.14 H new ATOM 0 HA PHE A 64 -5.313 6.980 -5.244 1.00 71.10 H new ATOM 0 HB2 PHE A 64 -6.680 6.276 -7.879 1.00 12.34 H new ATOM 0 HB3 PHE A 64 -5.618 5.170 -7.031 1.00 12.34 H new ATOM 0 HD1 PHE A 64 -8.800 7.082 -6.681 1.00 44.23 H new ATOM 0 HD2 PHE A 64 -6.419 3.858 -5.220 1.00 34.13 H new ATOM 0 HE1 PHE A 64 -10.689 6.302 -5.317 1.00 60.43 H new ATOM 0 HE2 PHE A 64 -8.310 3.082 -3.858 1.00 32.42 H new ATOM 0 HZ PHE A 64 -10.446 4.304 -3.903 1.00 3.45 H new ATOM 1053 N LEU A 65 -3.125 7.383 -6.315 1.00 53.12 N ATOM 1054 CA LEU A 65 -1.803 7.457 -6.933 1.00 12.51 C ATOM 1055 C LEU A 65 -1.295 6.075 -7.353 1.00 74.10 C ATOM 1056 O LEU A 65 -1.194 5.157 -6.536 1.00 2.11 O ATOM 1057 CB LEU A 65 -0.793 8.111 -5.982 1.00 71.10 C ATOM 1058 CG LEU A 65 -0.871 9.641 -5.895 1.00 53.41 C ATOM 1059 CD1 LEU A 65 0.171 10.173 -4.915 1.00 72.21 C ATOM 1060 CD2 LEU A 65 -0.675 10.266 -7.276 1.00 12.24 C ATOM 0 H LEU A 65 -3.111 7.314 -5.297 1.00 53.12 H new ATOM 0 HA LEU A 65 -1.903 8.071 -7.828 1.00 12.51 H new ATOM 0 HB2 LEU A 65 -0.939 7.699 -4.984 1.00 71.10 H new ATOM 0 HB3 LEU A 65 0.212 7.832 -6.298 1.00 71.10 H new ATOM 0 HG LEU A 65 -1.860 9.916 -5.530 1.00 53.41 H new ATOM 0 HD11 LEU A 65 0.102 11.260 -4.865 1.00 72.21 H new ATOM 0 HD12 LEU A 65 -0.011 9.752 -3.926 1.00 72.21 H new ATOM 0 HD13 LEU A 65 1.167 9.888 -5.253 1.00 72.21 H new ATOM 0 HD21 LEU A 65 -0.733 11.351 -7.196 1.00 12.24 H new ATOM 0 HD22 LEU A 65 0.302 9.983 -7.668 1.00 12.24 H new ATOM 0 HD23 LEU A 65 -1.454 9.910 -7.950 1.00 12.24 H new ATOM 1072 N ARG A 66 -0.999 5.933 -8.641 1.00 35.31 N ATOM 1073 CA ARG A 66 -0.331 4.740 -9.158 1.00 44.35 C ATOM 1074 C ARG A 66 1.181 4.860 -8.909 1.00 24.04 C ATOM 1075 O ARG A 66 1.928 5.361 -9.754 1.00 1.11 O ATOM 1076 CB ARG A 66 -0.634 4.573 -10.659 1.00 61.04 C ATOM 1077 CG ARG A 66 -0.009 3.332 -11.293 1.00 14.21 C ATOM 1078 CD ARG A 66 -0.364 3.208 -12.774 1.00 24.30 C ATOM 1079 NE ARG A 66 0.334 2.092 -13.404 1.00 51.34 N ATOM 1080 CZ ARG A 66 0.007 1.559 -14.553 1.00 1.14 C ATOM 1081 NH1 ARG A 66 -1.021 1.975 -15.219 1.00 54.52 N ATOM 1082 NH2 ARG A 66 0.711 0.586 -15.024 1.00 61.42 N ATOM 0 H ARG A 66 -1.212 6.633 -9.351 1.00 35.31 H new ATOM 0 HA ARG A 66 -0.703 3.855 -8.641 1.00 44.35 H new ATOM 0 HB2 ARG A 66 -1.714 4.532 -10.797 1.00 61.04 H new ATOM 0 HB3 ARG A 66 -0.278 5.456 -11.190 1.00 61.04 H new ATOM 0 HG2 ARG A 66 1.074 3.374 -11.182 1.00 14.21 H new ATOM 0 HG3 ARG A 66 -0.349 2.443 -10.762 1.00 14.21 H new ATOM 0 HD2 ARG A 66 -1.440 3.071 -12.880 1.00 24.30 H new ATOM 0 HD3 ARG A 66 -0.108 4.134 -13.288 1.00 24.30 H new ATOM 0 HE ARG A 66 1.136 1.698 -12.912 1.00 51.34 H new ATOM 0 HH11 ARG A 66 -1.595 2.733 -14.850 1.00 54.52 H new ATOM 0 HH12 ARG A 66 -1.258 1.545 -16.113 1.00 54.52 H new ATOM 0 HH21 ARG A 66 1.515 0.239 -14.501 1.00 61.42 H new ATOM 0 HH22 ARG A 66 0.464 0.164 -15.919 1.00 61.42 H new ATOM 1096 N VAL A 67 1.614 4.443 -7.721 1.00 62.43 N ATOM 1097 CA VAL A 67 3.003 4.637 -7.284 1.00 70.45 C ATOM 1098 C VAL A 67 3.938 3.516 -7.743 1.00 43.33 C ATOM 1099 O VAL A 67 3.677 2.324 -7.554 1.00 11.10 O ATOM 1100 CB VAL A 67 3.097 4.789 -5.740 1.00 74.34 C ATOM 1101 CG1 VAL A 67 2.284 5.993 -5.260 1.00 5.41 C ATOM 1102 CG2 VAL A 67 2.641 3.515 -5.029 1.00 73.43 C ATOM 0 H VAL A 67 1.024 3.967 -7.039 1.00 62.43 H new ATOM 0 HA VAL A 67 3.333 5.560 -7.761 1.00 70.45 H new ATOM 0 HB VAL A 67 4.144 4.959 -5.488 1.00 74.34 H new ATOM 0 HG11 VAL A 67 2.365 6.078 -4.176 1.00 5.41 H new ATOM 0 HG12 VAL A 67 2.668 6.901 -5.725 1.00 5.41 H new ATOM 0 HG13 VAL A 67 1.238 5.859 -5.536 1.00 5.41 H new ATOM 0 HG21 VAL A 67 2.718 3.653 -3.950 1.00 73.43 H new ATOM 0 HG22 VAL A 67 1.606 3.301 -5.294 1.00 73.43 H new ATOM 0 HG23 VAL A 67 3.273 2.682 -5.335 1.00 73.43 H new ATOM 1112 N TYR A 68 5.030 3.932 -8.368 1.00 14.14 N ATOM 1113 CA TYR A 68 6.110 3.037 -8.749 1.00 22.21 C ATOM 1114 C TYR A 68 6.919 2.609 -7.511 1.00 72.41 C ATOM 1115 O TYR A 68 7.657 3.411 -6.927 1.00 11.21 O ATOM 1116 CB TYR A 68 7.005 3.741 -9.776 1.00 2.41 C ATOM 1117 CG TYR A 68 8.333 3.056 -10.015 1.00 1.21 C ATOM 1118 CD1 TYR A 68 8.421 1.906 -10.786 1.00 43.10 C ATOM 1119 CD2 TYR A 68 9.497 3.570 -9.464 1.00 3.31 C ATOM 1120 CE1 TYR A 68 9.639 1.285 -11.001 1.00 35.10 C ATOM 1121 CE2 TYR A 68 10.719 2.958 -9.675 1.00 42.22 C ATOM 1122 CZ TYR A 68 10.785 1.815 -10.444 1.00 13.31 C ATOM 1123 OH TYR A 68 11.998 1.197 -10.658 1.00 71.55 O ATOM 0 H TYR A 68 5.191 4.906 -8.626 1.00 14.14 H new ATOM 0 HA TYR A 68 5.695 2.134 -9.198 1.00 22.21 H new ATOM 0 HB2 TYR A 68 6.469 3.809 -10.722 1.00 2.41 H new ATOM 0 HB3 TYR A 68 7.190 4.761 -9.441 1.00 2.41 H new ATOM 0 HD1 TYR A 68 7.526 1.489 -11.225 1.00 43.10 H new ATOM 0 HD2 TYR A 68 9.448 4.464 -8.860 1.00 3.31 H new ATOM 0 HE1 TYR A 68 9.692 0.389 -11.602 1.00 35.10 H new ATOM 0 HE2 TYR A 68 11.616 3.373 -9.240 1.00 42.22 H new ATOM 0 HH TYR A 68 12.705 1.696 -10.198 1.00 71.55 H new ATOM 1133 N HIS A 69 6.768 1.350 -7.115 1.00 75.44 N ATOM 1134 CA HIS A 69 7.421 0.827 -5.914 1.00 12.33 C ATOM 1135 C HIS A 69 8.912 0.526 -6.153 1.00 3.13 C ATOM 1136 O HIS A 69 9.260 -0.406 -6.878 1.00 13.23 O ATOM 1137 CB HIS A 69 6.693 -0.437 -5.438 1.00 60.12 C ATOM 1138 CG HIS A 69 7.187 -0.974 -4.126 1.00 1.34 C ATOM 1139 ND1 HIS A 69 7.512 -2.295 -3.924 1.00 24.42 N ATOM 1140 CD2 HIS A 69 7.373 -0.364 -2.930 1.00 62.22 C ATOM 1141 CE1 HIS A 69 7.867 -2.477 -2.670 1.00 31.42 C ATOM 1142 NE2 HIS A 69 7.797 -1.322 -2.042 1.00 53.44 N ATOM 0 H HIS A 69 6.196 0.666 -7.610 1.00 75.44 H new ATOM 0 HA HIS A 69 7.366 1.595 -5.142 1.00 12.33 H new ATOM 0 HB2 HIS A 69 5.629 -0.219 -5.351 1.00 60.12 H new ATOM 0 HB3 HIS A 69 6.798 -1.211 -6.198 1.00 60.12 H new ATOM 0 HD2 HIS A 69 7.217 0.683 -2.715 1.00 62.22 H new ATOM 0 HE1 HIS A 69 8.166 -3.417 -2.230 1.00 31.42 H new ATOM 0 HE2 HIS A 69 8.021 -1.165 -1.059 1.00 53.44 H new ATOM 1151 N SER A 70 9.783 1.327 -5.543 1.00 2.13 N ATOM 1152 CA SER A 70 11.233 1.102 -5.608 1.00 71.44 C ATOM 1153 C SER A 70 11.725 0.344 -4.366 1.00 1.43 C ATOM 1154 O SER A 70 11.019 0.249 -3.359 1.00 34.22 O ATOM 1155 CB SER A 70 11.984 2.439 -5.721 1.00 35.25 C ATOM 1156 OG SER A 70 11.800 3.241 -4.560 1.00 32.44 O ATOM 0 H SER A 70 9.512 2.143 -4.994 1.00 2.13 H new ATOM 0 HA SER A 70 11.436 0.500 -6.494 1.00 71.44 H new ATOM 0 HB2 SER A 70 13.047 2.249 -5.868 1.00 35.25 H new ATOM 0 HB3 SER A 70 11.633 2.982 -6.599 1.00 35.25 H new ATOM 0 HG SER A 70 12.291 4.083 -4.663 1.00 32.44 H new ATOM 1162 N ASP A 71 12.938 -0.196 -4.440 1.00 23.20 N ATOM 1163 CA ASP A 71 13.523 -0.932 -3.311 1.00 2.13 C ATOM 1164 C ASP A 71 14.150 0.023 -2.279 1.00 2.52 C ATOM 1165 O ASP A 71 14.186 -0.270 -1.081 1.00 14.51 O ATOM 1166 CB ASP A 71 14.591 -1.903 -3.815 1.00 53.05 C ATOM 1167 CG ASP A 71 14.090 -2.783 -4.941 1.00 43.32 C ATOM 1168 OD1 ASP A 71 13.317 -3.724 -4.673 1.00 12.21 O ATOM 1169 OD2 ASP A 71 14.472 -2.541 -6.107 1.00 1.34 O ATOM 0 H ASP A 71 13.537 -0.141 -5.264 1.00 23.20 H new ATOM 0 HA ASP A 71 12.719 -1.484 -2.825 1.00 2.13 H new ATOM 0 HB2 ASP A 71 15.458 -1.338 -4.158 1.00 53.05 H new ATOM 0 HB3 ASP A 71 14.926 -2.531 -2.989 1.00 53.05 H new ATOM 1174 N LYS A 72 14.630 1.171 -2.759 1.00 64.51 N ATOM 1175 CA LYS A 72 15.366 2.127 -1.921 1.00 21.35 C ATOM 1176 C LYS A 72 14.448 2.903 -0.956 1.00 64.03 C ATOM 1177 O LYS A 72 14.529 2.736 0.261 1.00 43.13 O ATOM 1178 CB LYS A 72 16.133 3.114 -2.811 1.00 55.43 C ATOM 1179 CG LYS A 72 17.102 2.447 -3.790 1.00 21.12 C ATOM 1180 CD LYS A 72 17.802 3.473 -4.683 1.00 61.14 C ATOM 1181 CE LYS A 72 16.803 4.278 -5.508 1.00 75.12 C ATOM 1182 NZ LYS A 72 17.466 5.330 -6.322 1.00 24.44 N ATOM 0 H LYS A 72 14.523 1.465 -3.730 1.00 64.51 H new ATOM 0 HA LYS A 72 16.061 1.550 -1.311 1.00 21.35 H new ATOM 0 HB2 LYS A 72 15.416 3.711 -3.375 1.00 55.43 H new ATOM 0 HB3 LYS A 72 16.691 3.802 -2.176 1.00 55.43 H new ATOM 0 HG2 LYS A 72 17.848 1.880 -3.233 1.00 21.12 H new ATOM 0 HG3 LYS A 72 16.559 1.735 -4.411 1.00 21.12 H new ATOM 0 HD2 LYS A 72 18.393 4.150 -4.066 1.00 61.14 H new ATOM 0 HD3 LYS A 72 18.496 2.962 -5.350 1.00 61.14 H new ATOM 0 HE2 LYS A 72 16.252 3.606 -6.166 1.00 75.12 H new ATOM 0 HE3 LYS A 72 16.074 4.741 -4.843 1.00 75.12 H new ATOM 0 HZ1 LYS A 72 16.749 5.851 -6.866 1.00 24.44 H new ATOM 0 HZ2 LYS A 72 17.971 5.988 -5.694 1.00 24.44 H new ATOM 0 HZ3 LYS A 72 18.143 4.888 -6.976 1.00 24.44 H new ATOM 1196 N LYS A 73 13.576 3.753 -1.502 1.00 33.13 N ATOM 1197 CA LYS A 73 12.733 4.639 -0.678 1.00 43.03 C ATOM 1198 C LYS A 73 11.229 4.354 -0.854 1.00 53.44 C ATOM 1199 O LYS A 73 10.396 5.238 -0.647 1.00 1.43 O ATOM 1200 CB LYS A 73 13.027 6.109 -1.024 1.00 74.23 C ATOM 1201 CG LYS A 73 14.464 6.540 -0.733 1.00 61.50 C ATOM 1202 CD LYS A 73 14.821 6.451 0.755 1.00 53.02 C ATOM 1203 CE LYS A 73 14.148 7.538 1.598 1.00 64.43 C ATOM 1204 NZ LYS A 73 12.670 7.375 1.692 1.00 70.42 N ATOM 0 H LYS A 73 13.431 3.851 -2.507 1.00 33.13 H new ATOM 0 HA LYS A 73 12.981 4.442 0.365 1.00 43.03 H new ATOM 0 HB2 LYS A 73 12.817 6.272 -2.081 1.00 74.23 H new ATOM 0 HB3 LYS A 73 12.346 6.747 -0.461 1.00 74.23 H new ATOM 0 HG2 LYS A 73 15.149 5.914 -1.304 1.00 61.50 H new ATOM 0 HG3 LYS A 73 14.608 7.565 -1.076 1.00 61.50 H new ATOM 0 HD2 LYS A 73 14.530 5.472 1.135 1.00 53.02 H new ATOM 0 HD3 LYS A 73 15.902 6.528 0.869 1.00 53.02 H new ATOM 0 HE2 LYS A 73 14.573 7.526 2.602 1.00 64.43 H new ATOM 0 HE3 LYS A 73 14.373 8.514 1.168 1.00 64.43 H new ATOM 0 HZ1 LYS A 73 12.349 7.662 2.639 1.00 70.42 H new ATOM 0 HZ2 LYS A 73 12.209 7.970 0.975 1.00 70.42 H new ATOM 0 HZ3 LYS A 73 12.419 6.379 1.528 1.00 70.42 H new ATOM 1218 N GLY A 74 10.884 3.121 -1.211 1.00 22.24 N ATOM 1219 CA GLY A 74 9.479 2.748 -1.372 1.00 31.25 C ATOM 1220 C GLY A 74 8.850 3.247 -2.673 1.00 60.43 C ATOM 1221 O GLY A 74 8.377 2.451 -3.482 1.00 2.51 O ATOM 0 H GLY A 74 11.548 2.369 -1.393 1.00 22.24 H new ATOM 0 HA2 GLY A 74 9.395 1.662 -1.333 1.00 31.25 H new ATOM 0 HA3 GLY A 74 8.910 3.143 -0.530 1.00 31.25 H new ATOM 1225 N VAL A 75 8.827 4.566 -2.872 1.00 23.14 N ATOM 1226 CA VAL A 75 8.254 5.162 -4.090 1.00 30.31 C ATOM 1227 C VAL A 75 9.245 6.118 -4.767 1.00 60.34 C ATOM 1228 O VAL A 75 9.788 7.019 -4.130 1.00 40.14 O ATOM 1229 CB VAL A 75 6.942 5.935 -3.785 1.00 73.10 C ATOM 1230 CG1 VAL A 75 6.394 6.605 -5.044 1.00 42.53 C ATOM 1231 CG2 VAL A 75 5.898 5.009 -3.171 1.00 41.53 C ATOM 0 H VAL A 75 9.198 5.246 -2.208 1.00 23.14 H new ATOM 0 HA VAL A 75 8.034 4.334 -4.764 1.00 30.31 H new ATOM 0 HB VAL A 75 7.175 6.716 -3.061 1.00 73.10 H new ATOM 0 HG11 VAL A 75 5.475 7.139 -4.801 1.00 42.53 H new ATOM 0 HG12 VAL A 75 7.131 7.308 -5.432 1.00 42.53 H new ATOM 0 HG13 VAL A 75 6.184 5.846 -5.798 1.00 42.53 H new ATOM 0 HG21 VAL A 75 4.988 5.572 -2.966 1.00 41.53 H new ATOM 0 HG22 VAL A 75 5.675 4.200 -3.867 1.00 41.53 H new ATOM 0 HG23 VAL A 75 6.284 4.592 -2.241 1.00 41.53 H new ATOM 1241 N SER A 76 9.479 5.918 -6.064 1.00 33.11 N ATOM 1242 CA SER A 76 10.368 6.807 -6.837 1.00 3.23 C ATOM 1243 C SER A 76 9.571 7.695 -7.807 1.00 4.24 C ATOM 1244 O SER A 76 10.036 8.757 -8.224 1.00 4.03 O ATOM 1245 CB SER A 76 11.406 5.987 -7.617 1.00 22.43 C ATOM 1246 OG SER A 76 12.353 6.825 -8.266 1.00 1.13 O ATOM 0 H SER A 76 9.072 5.155 -6.605 1.00 33.11 H new ATOM 0 HA SER A 76 10.882 7.453 -6.126 1.00 3.23 H new ATOM 0 HB2 SER A 76 11.923 5.311 -6.936 1.00 22.43 H new ATOM 0 HB3 SER A 76 10.900 5.367 -8.357 1.00 22.43 H new ATOM 0 HG SER A 76 13.000 6.272 -8.752 1.00 1.13 H new ATOM 1252 N ALA A 77 8.362 7.258 -8.155 1.00 24.41 N ATOM 1253 CA ALA A 77 7.495 8.006 -9.078 1.00 12.30 C ATOM 1254 C ALA A 77 6.013 7.697 -8.820 1.00 2.45 C ATOM 1255 O ALA A 77 5.680 6.638 -8.286 1.00 71.54 O ATOM 1256 CB ALA A 77 7.860 7.682 -10.525 1.00 34.02 C ATOM 0 H ALA A 77 7.955 6.387 -7.813 1.00 24.41 H new ATOM 0 HA ALA A 77 7.653 9.070 -8.903 1.00 12.30 H new ATOM 0 HB1 ALA A 77 7.211 8.242 -11.198 1.00 34.02 H new ATOM 0 HB2 ALA A 77 8.898 7.958 -10.709 1.00 34.02 H new ATOM 0 HB3 ALA A 77 7.732 6.614 -10.702 1.00 34.02 H new ATOM 1262 N TRP A 78 5.127 8.619 -9.200 1.00 75.05 N ATOM 1263 CA TRP A 78 3.685 8.446 -8.966 1.00 41.15 C ATOM 1264 C TRP A 78 2.826 9.266 -9.947 1.00 61.53 C ATOM 1265 O TRP A 78 3.101 10.440 -10.208 1.00 0.11 O ATOM 1266 CB TRP A 78 3.324 8.800 -7.508 1.00 40.25 C ATOM 1267 CG TRP A 78 4.008 10.030 -6.972 1.00 21.33 C ATOM 1268 CD1 TRP A 78 5.183 10.069 -6.276 1.00 32.03 C ATOM 1269 CD2 TRP A 78 3.563 11.391 -7.075 1.00 3.13 C ATOM 1270 NE1 TRP A 78 5.495 11.363 -5.942 1.00 2.24 N ATOM 1271 CE2 TRP A 78 4.517 12.191 -6.419 1.00 32.13 C ATOM 1272 CE3 TRP A 78 2.450 12.010 -7.656 1.00 64.14 C ATOM 1273 CZ2 TRP A 78 4.394 13.576 -6.331 1.00 40.24 C ATOM 1274 CZ3 TRP A 78 2.331 13.384 -7.565 1.00 30.40 C ATOM 1275 CH2 TRP A 78 3.298 14.154 -6.907 1.00 11.01 C ATOM 0 H TRP A 78 5.377 9.490 -9.669 1.00 75.05 H new ATOM 0 HA TRP A 78 3.459 7.395 -9.144 1.00 41.15 H new ATOM 0 HB2 TRP A 78 2.245 8.941 -7.439 1.00 40.25 H new ATOM 0 HB3 TRP A 78 3.576 7.953 -6.870 1.00 40.25 H new ATOM 0 HD1 TRP A 78 5.781 9.205 -6.025 1.00 32.03 H new ATOM 0 HE1 TRP A 78 6.322 11.659 -5.423 1.00 2.24 H new ATOM 0 HE3 TRP A 78 1.699 11.425 -8.166 1.00 64.14 H new ATOM 0 HZ2 TRP A 78 5.139 14.172 -5.825 1.00 40.24 H new ATOM 0 HZ3 TRP A 78 1.477 13.873 -8.009 1.00 30.40 H new ATOM 0 HH2 TRP A 78 3.175 15.226 -6.854 1.00 11.01 H new ATOM 1286 N GLU A 79 1.795 8.622 -10.496 1.00 72.33 N ATOM 1287 CA GLU A 79 0.826 9.279 -11.391 1.00 24.12 C ATOM 1288 C GLU A 79 -0.584 9.238 -10.776 1.00 62.35 C ATOM 1289 O GLU A 79 -0.931 8.288 -10.074 1.00 20.43 O ATOM 1290 CB GLU A 79 0.812 8.583 -12.761 1.00 55.02 C ATOM 1291 CG GLU A 79 2.136 8.651 -13.521 1.00 72.31 C ATOM 1292 CD GLU A 79 2.469 10.056 -14.002 1.00 11.52 C ATOM 1293 OE1 GLU A 79 1.789 10.542 -14.933 1.00 54.33 O ATOM 1294 OE2 GLU A 79 3.403 10.683 -13.458 1.00 53.35 O ATOM 0 H GLU A 79 1.604 7.633 -10.337 1.00 72.33 H new ATOM 0 HA GLU A 79 1.127 10.319 -11.521 1.00 24.12 H new ATOM 0 HB2 GLU A 79 0.542 7.536 -12.620 1.00 55.02 H new ATOM 0 HB3 GLU A 79 0.032 9.033 -13.375 1.00 55.02 H new ATOM 0 HG2 GLU A 79 2.939 8.293 -12.876 1.00 72.31 H new ATOM 0 HG3 GLU A 79 2.092 7.979 -14.378 1.00 72.31 H new ATOM 1301 N GLU A 80 -1.399 10.253 -11.054 1.00 10.04 N ATOM 1302 CA GLU A 80 -2.740 10.351 -10.452 1.00 72.50 C ATOM 1303 C GLU A 80 -3.813 9.676 -11.330 1.00 42.00 C ATOM 1304 O GLU A 80 -3.935 9.970 -12.523 1.00 44.42 O ATOM 1305 CB GLU A 80 -3.116 11.826 -10.212 1.00 50.30 C ATOM 1306 CG GLU A 80 -4.384 12.010 -9.380 1.00 25.40 C ATOM 1307 CD GLU A 80 -4.905 13.444 -9.398 1.00 51.43 C ATOM 1308 OE1 GLU A 80 -5.580 13.822 -10.382 1.00 31.20 O ATOM 1309 OE2 GLU A 80 -4.646 14.200 -8.440 1.00 44.44 O ATOM 0 H GLU A 80 -1.163 11.017 -11.687 1.00 10.04 H new ATOM 0 HA GLU A 80 -2.706 9.825 -9.498 1.00 72.50 H new ATOM 0 HB2 GLU A 80 -2.287 12.326 -9.710 1.00 50.30 H new ATOM 0 HB3 GLU A 80 -3.249 12.319 -11.175 1.00 50.30 H new ATOM 0 HG2 GLU A 80 -5.159 11.343 -9.757 1.00 25.40 H new ATOM 0 HG3 GLU A 80 -4.182 11.715 -8.350 1.00 25.40 H new ATOM 1316 N VAL A 81 -4.581 8.760 -10.733 1.00 25.31 N ATOM 1317 CA VAL A 81 -5.708 8.099 -11.412 1.00 4.45 C ATOM 1318 C VAL A 81 -6.995 8.214 -10.565 1.00 33.31 C ATOM 1319 O VAL A 81 -6.936 8.359 -9.340 1.00 3.02 O ATOM 1320 CB VAL A 81 -5.414 6.599 -11.707 1.00 11.00 C ATOM 1321 CG1 VAL A 81 -4.128 6.438 -12.523 1.00 71.14 C ATOM 1322 CG2 VAL A 81 -5.339 5.784 -10.416 1.00 20.43 C ATOM 0 H VAL A 81 -4.443 8.454 -9.770 1.00 25.31 H new ATOM 0 HA VAL A 81 -5.849 8.610 -12.364 1.00 4.45 H new ATOM 0 HB VAL A 81 -6.243 6.214 -12.301 1.00 11.00 H new ATOM 0 HG11 VAL A 81 -3.948 5.380 -12.714 1.00 71.14 H new ATOM 0 HG12 VAL A 81 -4.230 6.965 -13.471 1.00 71.14 H new ATOM 0 HG13 VAL A 81 -3.289 6.854 -11.965 1.00 71.14 H new ATOM 0 HG21 VAL A 81 -5.133 4.741 -10.656 1.00 20.43 H new ATOM 0 HG22 VAL A 81 -4.542 6.176 -9.784 1.00 20.43 H new ATOM 0 HG23 VAL A 81 -6.289 5.853 -9.886 1.00 20.43 H new ATOM 1332 N LYS A 82 -8.158 8.160 -11.214 1.00 31.52 N ATOM 1333 CA LYS A 82 -9.441 8.315 -10.507 1.00 61.25 C ATOM 1334 C LYS A 82 -10.191 6.976 -10.406 1.00 53.35 C ATOM 1335 O LYS A 82 -10.053 6.107 -11.269 1.00 74.30 O ATOM 1336 CB LYS A 82 -10.329 9.364 -11.205 1.00 44.41 C ATOM 1337 CG LYS A 82 -9.744 10.784 -11.219 1.00 14.01 C ATOM 1338 CD LYS A 82 -8.605 10.944 -12.231 1.00 52.41 C ATOM 1339 CE LYS A 82 -9.109 10.868 -13.670 1.00 14.12 C ATOM 1340 NZ LYS A 82 -8.001 10.691 -14.645 1.00 51.21 N ATOM 0 H LYS A 82 -8.244 8.012 -12.219 1.00 31.52 H new ATOM 0 HA LYS A 82 -9.217 8.659 -9.497 1.00 61.25 H new ATOM 0 HB2 LYS A 82 -10.505 9.047 -12.233 1.00 44.41 H new ATOM 0 HB3 LYS A 82 -11.299 9.389 -10.709 1.00 44.41 H new ATOM 0 HG2 LYS A 82 -10.535 11.496 -11.453 1.00 14.01 H new ATOM 0 HG3 LYS A 82 -9.377 11.031 -10.223 1.00 14.01 H new ATOM 0 HD2 LYS A 82 -8.108 11.901 -12.070 1.00 52.41 H new ATOM 0 HD3 LYS A 82 -7.860 10.166 -12.065 1.00 52.41 H new ATOM 0 HE2 LYS A 82 -9.810 10.038 -13.764 1.00 14.12 H new ATOM 0 HE3 LYS A 82 -9.659 11.778 -13.909 1.00 14.12 H new ATOM 0 HZ1 LYS A 82 -8.362 10.831 -15.610 1.00 51.21 H new ATOM 0 HZ2 LYS A 82 -7.253 11.387 -14.451 1.00 51.21 H new ATOM 0 HZ3 LYS A 82 -7.611 9.731 -14.557 1.00 51.21 H new ATOM 1354 N LYS A 83 -11.002 6.819 -9.355 1.00 1.21 N ATOM 1355 CA LYS A 83 -11.728 5.561 -9.113 1.00 64.42 C ATOM 1356 C LYS A 83 -12.678 5.212 -10.276 1.00 75.22 C ATOM 1357 O LYS A 83 -13.048 4.051 -10.471 1.00 32.43 O ATOM 1358 CB LYS A 83 -12.509 5.626 -7.783 1.00 13.13 C ATOM 1359 CG LYS A 83 -13.861 6.348 -7.846 1.00 40.13 C ATOM 1360 CD LYS A 83 -13.735 7.829 -8.202 1.00 44.21 C ATOM 1361 CE LYS A 83 -15.099 8.519 -8.203 1.00 4.42 C ATOM 1362 NZ LYS A 83 -15.029 9.909 -8.727 1.00 10.32 N ATOM 0 H LYS A 83 -11.174 7.543 -8.658 1.00 1.21 H new ATOM 0 HA LYS A 83 -10.983 4.768 -9.045 1.00 64.42 H new ATOM 0 HB2 LYS A 83 -12.676 4.608 -7.430 1.00 13.13 H new ATOM 0 HB3 LYS A 83 -11.886 6.123 -7.040 1.00 13.13 H new ATOM 0 HG2 LYS A 83 -14.495 5.856 -8.584 1.00 40.13 H new ATOM 0 HG3 LYS A 83 -14.362 6.254 -6.882 1.00 40.13 H new ATOM 0 HD2 LYS A 83 -13.076 8.322 -7.487 1.00 44.21 H new ATOM 0 HD3 LYS A 83 -13.273 7.931 -9.184 1.00 44.21 H new ATOM 0 HE2 LYS A 83 -15.796 7.940 -8.808 1.00 4.42 H new ATOM 0 HE3 LYS A 83 -15.496 8.535 -7.188 1.00 4.42 H new ATOM 0 HZ1 LYS A 83 -15.983 10.324 -8.740 1.00 10.32 H new ATOM 0 HZ2 LYS A 83 -14.411 10.480 -8.115 1.00 10.32 H new ATOM 0 HZ3 LYS A 83 -14.644 9.897 -9.693 1.00 10.32 H new ATOM 1376 N ASP A 84 -13.065 6.224 -11.047 1.00 25.30 N ATOM 1377 CA ASP A 84 -13.928 6.030 -12.214 1.00 11.14 C ATOM 1378 C ASP A 84 -13.250 5.138 -13.269 1.00 41.13 C ATOM 1379 O ASP A 84 -13.908 4.364 -13.968 1.00 4.13 O ATOM 1380 CB ASP A 84 -14.272 7.391 -12.829 1.00 30.01 C ATOM 1381 CG ASP A 84 -14.762 8.382 -11.788 1.00 10.45 C ATOM 1382 OD1 ASP A 84 -15.982 8.437 -11.536 1.00 15.10 O ATOM 1383 OD2 ASP A 84 -13.921 9.097 -11.200 1.00 33.55 O ATOM 0 H ASP A 84 -12.794 7.194 -10.885 1.00 25.30 H new ATOM 0 HA ASP A 84 -14.840 5.531 -11.886 1.00 11.14 H new ATOM 0 HB2 ASP A 84 -13.391 7.796 -13.328 1.00 30.01 H new ATOM 0 HB3 ASP A 84 -15.039 7.260 -13.593 1.00 30.01 H new ATOM 1388 N GLU A 85 -11.922 5.238 -13.347 1.00 13.22 N ATOM 1389 CA GLU A 85 -11.130 4.529 -14.360 1.00 44.00 C ATOM 1390 C GLU A 85 -10.819 3.081 -13.942 1.00 23.03 C ATOM 1391 O GLU A 85 -10.327 2.284 -14.744 1.00 23.21 O ATOM 1392 CB GLU A 85 -9.825 5.298 -14.613 1.00 4.53 C ATOM 1393 CG GLU A 85 -10.047 6.773 -14.940 1.00 73.50 C ATOM 1394 CD GLU A 85 -8.754 7.540 -15.157 1.00 34.22 C ATOM 1395 OE1 GLU A 85 -8.123 7.954 -14.162 1.00 74.45 O ATOM 1396 OE2 GLU A 85 -8.377 7.763 -16.326 1.00 64.13 O ATOM 0 H GLU A 85 -11.364 5.810 -12.713 1.00 13.22 H new ATOM 0 HA GLU A 85 -11.719 4.480 -15.276 1.00 44.00 H new ATOM 0 HB2 GLU A 85 -9.189 5.220 -13.731 1.00 4.53 H new ATOM 0 HB3 GLU A 85 -9.288 4.827 -15.436 1.00 4.53 H new ATOM 0 HG2 GLU A 85 -10.663 6.851 -15.836 1.00 73.50 H new ATOM 0 HG3 GLU A 85 -10.606 7.238 -14.128 1.00 73.50 H new ATOM 1403 N LEU A 86 -11.098 2.744 -12.682 1.00 74.32 N ATOM 1404 CA LEU A 86 -10.873 1.384 -12.180 1.00 4.31 C ATOM 1405 C LEU A 86 -11.966 0.421 -12.682 1.00 53.11 C ATOM 1406 O LEU A 86 -13.156 0.737 -12.614 1.00 21.51 O ATOM 1407 CB LEU A 86 -10.843 1.383 -10.645 1.00 44.43 C ATOM 1408 CG LEU A 86 -9.771 2.286 -10.002 1.00 62.10 C ATOM 1409 CD1 LEU A 86 -9.857 2.228 -8.476 1.00 51.42 C ATOM 1410 CD2 LEU A 86 -8.373 1.902 -10.486 1.00 22.13 C ATOM 0 H LEU A 86 -11.479 3.390 -11.991 1.00 74.32 H new ATOM 0 HA LEU A 86 -9.911 1.040 -12.559 1.00 4.31 H new ATOM 0 HB2 LEU A 86 -11.822 1.694 -10.280 1.00 44.43 H new ATOM 0 HB3 LEU A 86 -10.685 0.360 -10.303 1.00 44.43 H new ATOM 0 HG LEU A 86 -9.963 3.313 -10.312 1.00 62.10 H new ATOM 0 HD11 LEU A 86 -9.092 2.872 -8.044 1.00 51.42 H new ATOM 0 HD12 LEU A 86 -10.841 2.567 -8.154 1.00 51.42 H new ATOM 0 HD13 LEU A 86 -9.699 1.203 -8.141 1.00 51.42 H new ATOM 0 HD21 LEU A 86 -7.634 2.553 -10.018 1.00 22.13 H new ATOM 0 HD22 LEU A 86 -8.166 0.866 -10.216 1.00 22.13 H new ATOM 0 HD23 LEU A 86 -8.320 2.012 -11.569 1.00 22.13 H new ATOM 1422 N PRO A 87 -11.576 -0.766 -13.199 1.00 64.12 N ATOM 1423 CA PRO A 87 -12.537 -1.767 -13.706 1.00 63.42 C ATOM 1424 C PRO A 87 -13.340 -2.467 -12.590 1.00 32.03 C ATOM 1425 O PRO A 87 -12.923 -2.504 -11.428 1.00 2.50 O ATOM 1426 CB PRO A 87 -11.635 -2.770 -14.441 1.00 23.24 C ATOM 1427 CG PRO A 87 -10.319 -2.671 -13.745 1.00 51.33 C ATOM 1428 CD PRO A 87 -10.175 -1.226 -13.346 1.00 2.42 C ATOM 0 HA PRO A 87 -13.302 -1.309 -14.333 1.00 63.42 H new ATOM 0 HB2 PRO A 87 -12.038 -3.781 -14.385 1.00 23.24 H new ATOM 0 HB3 PRO A 87 -11.544 -2.521 -15.498 1.00 23.24 H new ATOM 0 HG2 PRO A 87 -10.288 -3.323 -12.872 1.00 51.33 H new ATOM 0 HG3 PRO A 87 -9.505 -2.979 -14.401 1.00 51.33 H new ATOM 0 HD2 PRO A 87 -9.618 -1.120 -12.415 1.00 2.42 H new ATOM 0 HD3 PRO A 87 -9.641 -0.652 -14.103 1.00 2.42 H new ATOM 1436 N ALA A 88 -14.482 -3.045 -12.964 1.00 2.25 N ATOM 1437 CA ALA A 88 -15.390 -3.688 -12.004 1.00 73.23 C ATOM 1438 C ALA A 88 -14.744 -4.898 -11.311 1.00 65.21 C ATOM 1439 O ALA A 88 -14.996 -5.155 -10.130 1.00 24.51 O ATOM 1440 CB ALA A 88 -16.673 -4.115 -12.706 1.00 3.34 C ATOM 0 H ALA A 88 -14.805 -3.083 -13.931 1.00 2.25 H new ATOM 0 HA ALA A 88 -15.619 -2.954 -11.231 1.00 73.23 H new ATOM 0 HB1 ALA A 88 -17.340 -4.591 -11.987 1.00 3.34 H new ATOM 0 HB2 ALA A 88 -17.163 -3.240 -13.132 1.00 3.34 H new ATOM 0 HB3 ALA A 88 -16.435 -4.821 -13.502 1.00 3.34 H new ATOM 1446 N LYS A 89 -13.912 -5.630 -12.051 1.00 12.34 N ATOM 1447 CA LYS A 89 -13.248 -6.835 -11.535 1.00 15.53 C ATOM 1448 C LYS A 89 -12.470 -6.557 -10.235 1.00 2.14 C ATOM 1449 O LYS A 89 -12.497 -7.360 -9.299 1.00 62.01 O ATOM 1450 CB LYS A 89 -12.298 -7.410 -12.598 1.00 32.44 C ATOM 1451 CG LYS A 89 -11.690 -8.760 -12.221 1.00 45.45 C ATOM 1452 CD LYS A 89 -10.716 -9.265 -13.284 1.00 32.22 C ATOM 1453 CE LYS A 89 -10.178 -10.654 -12.949 1.00 33.43 C ATOM 1454 NZ LYS A 89 -9.154 -11.109 -13.929 1.00 70.35 N ATOM 0 H LYS A 89 -13.678 -5.410 -13.019 1.00 12.34 H new ATOM 0 HA LYS A 89 -14.027 -7.562 -11.304 1.00 15.53 H new ATOM 0 HB2 LYS A 89 -12.841 -7.517 -13.537 1.00 32.44 H new ATOM 0 HB3 LYS A 89 -11.493 -6.697 -12.775 1.00 32.44 H new ATOM 0 HG2 LYS A 89 -11.171 -8.670 -11.267 1.00 45.45 H new ATOM 0 HG3 LYS A 89 -12.487 -9.491 -12.083 1.00 45.45 H new ATOM 0 HD2 LYS A 89 -11.217 -9.293 -14.252 1.00 32.22 H new ATOM 0 HD3 LYS A 89 -9.885 -8.566 -13.376 1.00 32.22 H new ATOM 0 HE2 LYS A 89 -9.743 -10.642 -11.950 1.00 33.43 H new ATOM 0 HE3 LYS A 89 -11.002 -11.367 -12.930 1.00 33.43 H new ATOM 0 HZ1 LYS A 89 -8.816 -12.056 -13.663 1.00 70.35 H new ATOM 0 HZ2 LYS A 89 -9.575 -11.145 -14.879 1.00 70.35 H new ATOM 0 HZ3 LYS A 89 -8.355 -10.444 -13.930 1.00 70.35 H new ATOM 1468 N VAL A 90 -11.775 -5.419 -10.181 1.00 22.32 N ATOM 1469 CA VAL A 90 -11.002 -5.046 -8.989 1.00 71.32 C ATOM 1470 C VAL A 90 -11.816 -4.152 -8.032 1.00 32.02 C ATOM 1471 O VAL A 90 -11.732 -4.301 -6.814 1.00 40.42 O ATOM 1472 CB VAL A 90 -9.677 -4.331 -9.362 1.00 60.51 C ATOM 1473 CG1 VAL A 90 -8.790 -5.241 -10.210 1.00 1.14 C ATOM 1474 CG2 VAL A 90 -9.946 -3.008 -10.080 1.00 15.11 C ATOM 0 H VAL A 90 -11.730 -4.742 -10.942 1.00 22.32 H new ATOM 0 HA VAL A 90 -10.765 -5.979 -8.478 1.00 71.32 H new ATOM 0 HB VAL A 90 -9.147 -4.105 -8.437 1.00 60.51 H new ATOM 0 HG11 VAL A 90 -7.866 -4.719 -10.460 1.00 1.14 H new ATOM 0 HG12 VAL A 90 -8.555 -6.146 -9.649 1.00 1.14 H new ATOM 0 HG13 VAL A 90 -9.315 -5.509 -11.127 1.00 1.14 H new ATOM 0 HG21 VAL A 90 -8.999 -2.530 -10.329 1.00 15.11 H new ATOM 0 HG22 VAL A 90 -10.508 -3.198 -10.995 1.00 15.11 H new ATOM 0 HG23 VAL A 90 -10.524 -2.352 -9.429 1.00 15.11 H new ATOM 1484 N LYS A 91 -12.615 -3.238 -8.590 1.00 20.41 N ATOM 1485 CA LYS A 91 -13.413 -2.303 -7.784 1.00 51.33 C ATOM 1486 C LYS A 91 -14.431 -3.036 -6.898 1.00 12.21 C ATOM 1487 O LYS A 91 -14.434 -2.888 -5.678 1.00 71.30 O ATOM 1488 CB LYS A 91 -14.137 -1.309 -8.701 1.00 53.11 C ATOM 1489 CG LYS A 91 -15.022 -0.307 -7.960 1.00 23.04 C ATOM 1490 CD LYS A 91 -15.679 0.682 -8.918 1.00 62.51 C ATOM 1491 CE LYS A 91 -14.642 1.510 -9.670 1.00 73.55 C ATOM 1492 NZ LYS A 91 -15.265 2.421 -10.660 1.00 3.11 N ATOM 0 H LYS A 91 -12.728 -3.124 -9.597 1.00 20.41 H new ATOM 0 HA LYS A 91 -12.729 -1.766 -7.127 1.00 51.33 H new ATOM 0 HB2 LYS A 91 -13.396 -0.762 -9.283 1.00 53.11 H new ATOM 0 HB3 LYS A 91 -14.751 -1.865 -9.409 1.00 53.11 H new ATOM 0 HG2 LYS A 91 -15.792 -0.843 -7.405 1.00 23.04 H new ATOM 0 HG3 LYS A 91 -14.423 0.237 -7.230 1.00 23.04 H new ATOM 0 HD2 LYS A 91 -16.300 0.140 -9.632 1.00 62.51 H new ATOM 0 HD3 LYS A 91 -16.340 1.345 -8.360 1.00 62.51 H new ATOM 0 HE2 LYS A 91 -14.059 2.094 -8.957 1.00 73.55 H new ATOM 0 HE3 LYS A 91 -13.947 0.843 -10.180 1.00 73.55 H new ATOM 0 HZ1 LYS A 91 -14.633 3.229 -10.834 1.00 3.11 H new ATOM 0 HZ2 LYS A 91 -15.425 1.908 -11.551 1.00 3.11 H new ATOM 0 HZ3 LYS A 91 -16.174 2.766 -10.291 1.00 3.11 H new