USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=24 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 -143:sc= 0.982 USER MOD Set 1.2: A 76 SER OG : rot -7:sc= 0.694 USER MOD Set 2.1: A 37 TYR OH : rot 80:sc= -0.748! USER MOD Set 2.2: A 58 ASN : amide:sc= 0.388 K(o=-0.36,f=-4.5!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 148:sc= 1.17 (180deg=-0.447) USER MOD Set 3.2: A 68 TYR OH : rot 130:sc= 1.02 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.847 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-1.6) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0.706 (180deg=-0.295!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.803 (180deg=0.5) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 1.21 (180deg=0.994) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= 0.617 (180deg=-1.41) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 34:sc= 0.294 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= 0.0765 (180deg=-0.668) USER MOD Single : A 61 LYS NZ :NH3+ -114:sc= 0.3 (180deg=-0.575) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 0.308 (180deg=-0.265) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0323 (180deg=-0.31) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc=-0.00749 (180deg=-0.146) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= -0.672! (180deg=-0.994!) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc=-0.00272 (180deg=-0.0806) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 8.348 -6.312 -10.359 1.00 63.21 N ATOM 114 CA LYS A 8 8.138 -4.890 -10.057 1.00 54.42 C ATOM 115 C LYS A 8 6.646 -4.563 -9.916 1.00 72.14 C ATOM 116 O LYS A 8 5.999 -4.100 -10.861 1.00 54.41 O ATOM 117 CB LYS A 8 8.779 -4.003 -11.138 1.00 63.32 C ATOM 118 CG LYS A 8 10.306 -4.033 -11.138 1.00 52.42 C ATOM 119 CD LYS A 8 10.883 -3.531 -9.813 1.00 33.22 C ATOM 120 CE LYS A 8 12.399 -3.393 -9.873 1.00 13.42 C ATOM 121 NZ LYS A 8 12.821 -2.419 -10.917 1.00 3.22 N ATOM 0 HA LYS A 8 8.621 -4.681 -9.102 1.00 54.42 H new ATOM 0 HB2 LYS A 8 8.419 -4.322 -12.116 1.00 63.32 H new ATOM 0 HB3 LYS A 8 8.446 -2.975 -10.995 1.00 63.32 H new ATOM 0 HG2 LYS A 8 10.650 -5.051 -11.322 1.00 52.42 H new ATOM 0 HG3 LYS A 8 10.682 -3.417 -11.955 1.00 52.42 H new ATOM 0 HD2 LYS A 8 10.440 -2.566 -9.566 1.00 33.22 H new ATOM 0 HD3 LYS A 8 10.612 -4.221 -9.014 1.00 33.22 H new ATOM 0 HE2 LYS A 8 12.774 -3.071 -8.902 1.00 13.42 H new ATOM 0 HE3 LYS A 8 12.845 -4.366 -10.081 1.00 13.42 H new ATOM 0 HZ1 LYS A 8 13.695 -1.943 -10.615 1.00 3.22 H new ATOM 0 HZ2 LYS A 8 12.992 -2.921 -11.812 1.00 3.22 H new ATOM 0 HZ3 LYS A 8 12.071 -1.711 -11.055 1.00 3.22 H new ATOM 135 N ASP A 9 6.101 -4.819 -8.732 1.00 44.44 N ATOM 136 CA ASP A 9 4.681 -4.588 -8.469 1.00 32.53 C ATOM 137 C ASP A 9 4.359 -3.094 -8.300 1.00 73.41 C ATOM 138 O ASP A 9 5.163 -2.317 -7.777 1.00 3.24 O ATOM 139 CB ASP A 9 4.242 -5.367 -7.227 1.00 3.25 C ATOM 140 CG ASP A 9 4.431 -6.860 -7.404 1.00 2.42 C ATOM 141 OD1 ASP A 9 3.530 -7.517 -7.965 1.00 41.32 O ATOM 142 OD2 ASP A 9 5.488 -7.384 -7.004 1.00 33.13 O ATOM 0 H ASP A 9 6.621 -5.188 -7.936 1.00 44.44 H new ATOM 0 HA ASP A 9 4.126 -4.944 -9.337 1.00 32.53 H new ATOM 0 HB2 ASP A 9 4.815 -5.028 -6.364 1.00 3.25 H new ATOM 0 HB3 ASP A 9 3.194 -5.156 -7.017 1.00 3.25 H new ATOM 147 N GLU A 10 3.174 -2.707 -8.756 1.00 64.32 N ATOM 148 CA GLU A 10 2.698 -1.327 -8.641 1.00 5.02 C ATOM 149 C GLU A 10 1.332 -1.293 -7.936 1.00 64.42 C ATOM 150 O GLU A 10 0.412 -2.023 -8.305 1.00 14.13 O ATOM 151 CB GLU A 10 2.627 -0.690 -10.036 1.00 2.13 C ATOM 152 CG GLU A 10 1.778 -1.478 -11.033 1.00 33.13 C ATOM 153 CD GLU A 10 2.042 -1.101 -12.484 1.00 40.20 C ATOM 154 OE1 GLU A 10 2.500 0.032 -12.748 1.00 61.34 O ATOM 155 OE2 GLU A 10 1.803 -1.943 -13.375 1.00 34.34 O ATOM 0 H GLU A 10 2.515 -3.336 -9.215 1.00 64.32 H new ATOM 0 HA GLU A 10 3.396 -0.748 -8.036 1.00 5.02 H new ATOM 0 HB2 GLU A 10 2.221 0.318 -9.945 1.00 2.13 H new ATOM 0 HB3 GLU A 10 3.638 -0.592 -10.432 1.00 2.13 H new ATOM 0 HG2 GLU A 10 1.971 -2.543 -10.901 1.00 33.13 H new ATOM 0 HG3 GLU A 10 0.724 -1.315 -10.809 1.00 33.13 H new ATOM 162 N TYR A 11 1.213 -0.453 -6.913 1.00 42.14 N ATOM 163 CA TYR A 11 0.021 -0.446 -6.051 1.00 53.34 C ATOM 164 C TYR A 11 -0.866 0.780 -6.306 1.00 52.34 C ATOM 165 O TYR A 11 -0.374 1.876 -6.575 1.00 32.44 O ATOM 166 CB TYR A 11 0.446 -0.477 -4.574 1.00 40.51 C ATOM 167 CG TYR A 11 1.335 -1.656 -4.214 1.00 12.04 C ATOM 168 CD1 TYR A 11 2.716 -1.586 -4.368 1.00 52.25 C ATOM 169 CD2 TYR A 11 0.792 -2.838 -3.720 1.00 43.34 C ATOM 170 CE1 TYR A 11 3.526 -2.657 -4.041 1.00 43.04 C ATOM 171 CE2 TYR A 11 1.600 -3.911 -3.392 1.00 13.05 C ATOM 172 CZ TYR A 11 2.965 -3.815 -3.554 1.00 54.22 C ATOM 173 OH TYR A 11 3.774 -4.878 -3.225 1.00 12.31 O ATOM 0 H TYR A 11 1.922 0.233 -6.655 1.00 42.14 H new ATOM 0 HA TYR A 11 -0.563 -1.335 -6.291 1.00 53.34 H new ATOM 0 HB2 TYR A 11 0.972 0.448 -4.338 1.00 40.51 H new ATOM 0 HB3 TYR A 11 -0.447 -0.504 -3.950 1.00 40.51 H new ATOM 0 HD1 TYR A 11 3.162 -0.680 -4.749 1.00 52.25 H new ATOM 0 HD2 TYR A 11 -0.277 -2.919 -3.591 1.00 43.34 H new ATOM 0 HE1 TYR A 11 4.596 -2.585 -4.167 1.00 43.04 H new ATOM 0 HE2 TYR A 11 1.163 -4.822 -3.010 1.00 13.05 H new ATOM 0 HH TYR A 11 3.223 -5.618 -2.895 1.00 12.31 H new ATOM 183 N TYR A 12 -2.180 0.588 -6.226 1.00 34.22 N ATOM 184 CA TYR A 12 -3.134 1.698 -6.323 1.00 53.11 C ATOM 185 C TYR A 12 -3.613 2.130 -4.931 1.00 10.03 C ATOM 186 O TYR A 12 -4.468 1.485 -4.325 1.00 13.34 O ATOM 187 CB TYR A 12 -4.333 1.309 -7.202 1.00 44.45 C ATOM 188 CG TYR A 12 -4.033 1.317 -8.690 1.00 44.32 C ATOM 189 CD1 TYR A 12 -3.295 0.295 -9.286 1.00 24.45 C ATOM 190 CD2 TYR A 12 -4.488 2.353 -9.501 1.00 25.42 C ATOM 191 CE1 TYR A 12 -3.024 0.310 -10.642 1.00 13.53 C ATOM 192 CE2 TYR A 12 -4.221 2.371 -10.855 1.00 61.41 C ATOM 193 CZ TYR A 12 -3.490 1.349 -11.423 1.00 0.11 C ATOM 194 OH TYR A 12 -3.224 1.365 -12.773 1.00 2.33 O ATOM 0 H TYR A 12 -2.613 -0.326 -6.094 1.00 34.22 H new ATOM 0 HA TYR A 12 -2.622 2.541 -6.788 1.00 53.11 H new ATOM 0 HB2 TYR A 12 -4.674 0.314 -6.915 1.00 44.45 H new ATOM 0 HB3 TYR A 12 -5.155 1.997 -7.003 1.00 44.45 H new ATOM 0 HD1 TYR A 12 -2.930 -0.521 -8.680 1.00 24.45 H new ATOM 0 HD2 TYR A 12 -5.060 3.157 -9.063 1.00 25.42 H new ATOM 0 HE1 TYR A 12 -2.450 -0.488 -11.089 1.00 13.53 H new ATOM 0 HE2 TYR A 12 -4.584 3.183 -11.468 1.00 61.41 H new ATOM 0 HH TYR A 12 -3.624 2.164 -13.176 1.00 2.33 H new ATOM 204 N VAL A 13 -3.033 3.213 -4.420 1.00 11.44 N ATOM 205 CA VAL A 13 -3.420 3.769 -3.117 1.00 4.12 C ATOM 206 C VAL A 13 -4.390 4.946 -3.294 1.00 22.11 C ATOM 207 O VAL A 13 -4.746 5.296 -4.414 1.00 33.04 O ATOM 208 CB VAL A 13 -2.176 4.242 -2.321 1.00 12.13 C ATOM 209 CG1 VAL A 13 -1.220 3.079 -2.073 1.00 45.25 C ATOM 210 CG2 VAL A 13 -1.460 5.378 -3.050 1.00 12.03 C ATOM 0 H VAL A 13 -2.288 3.729 -4.888 1.00 11.44 H new ATOM 0 HA VAL A 13 -3.916 2.976 -2.557 1.00 4.12 H new ATOM 0 HB VAL A 13 -2.517 4.619 -1.357 1.00 12.13 H new ATOM 0 HG11 VAL A 13 -0.354 3.433 -1.513 1.00 45.25 H new ATOM 0 HG12 VAL A 13 -1.730 2.304 -1.501 1.00 45.25 H new ATOM 0 HG13 VAL A 13 -0.892 2.668 -3.028 1.00 45.25 H new ATOM 0 HG21 VAL A 13 -0.591 5.691 -2.471 1.00 12.03 H new ATOM 0 HG22 VAL A 13 -1.136 5.033 -4.032 1.00 12.03 H new ATOM 0 HG23 VAL A 13 -2.141 6.221 -3.168 1.00 12.03 H new ATOM 220 N GLN A 14 -4.819 5.557 -2.192 1.00 33.41 N ATOM 221 CA GLN A 14 -5.690 6.739 -2.260 1.00 21.44 C ATOM 222 C GLN A 14 -5.198 7.847 -1.318 1.00 5.52 C ATOM 223 O GLN A 14 -4.665 7.573 -0.242 1.00 5.33 O ATOM 224 CB GLN A 14 -7.143 6.367 -1.927 1.00 41.11 C ATOM 225 CG GLN A 14 -7.332 5.779 -0.532 1.00 11.53 C ATOM 226 CD GLN A 14 -8.787 5.468 -0.207 1.00 21.43 C ATOM 227 OE1 GLN A 14 -9.709 6.244 -0.752 1.00 5.34 O flip ATOM 228 NE2 GLN A 14 -9.082 4.544 0.544 1.00 75.52 N flip ATOM 0 H GLN A 14 -4.583 5.260 -1.245 1.00 33.41 H new ATOM 0 HA GLN A 14 -5.652 7.117 -3.282 1.00 21.44 H new ATOM 0 HB2 GLN A 14 -7.765 7.257 -2.022 1.00 41.11 H new ATOM 0 HB3 GLN A 14 -7.501 5.648 -2.664 1.00 41.11 H new ATOM 0 HG2 GLN A 14 -6.744 4.865 -0.446 1.00 11.53 H new ATOM 0 HG3 GLN A 14 -6.943 6.479 0.207 1.00 11.53 H new ATOM 0 HE21 GLN A 14 -8.349 3.962 0.949 1.00 75.52 H new ATOM 0 HE22 GLN A 14 -10.061 4.357 0.763 1.00 75.52 H new ATOM 237 N ILE A 15 -5.371 9.100 -1.731 1.00 31.35 N ATOM 238 CA ILE A 15 -4.910 10.243 -0.936 1.00 55.40 C ATOM 239 C ILE A 15 -5.980 10.709 0.066 1.00 55.35 C ATOM 240 O ILE A 15 -6.893 11.469 -0.281 1.00 73.52 O ATOM 241 CB ILE A 15 -4.496 11.438 -1.836 1.00 74.11 C ATOM 242 CG1 ILE A 15 -3.457 10.996 -2.884 1.00 2.21 C ATOM 243 CG2 ILE A 15 -3.949 12.591 -0.990 1.00 70.25 C ATOM 244 CD1 ILE A 15 -2.170 10.459 -2.285 1.00 53.35 C ATOM 0 H ILE A 15 -5.825 9.353 -2.609 1.00 31.35 H new ATOM 0 HA ILE A 15 -4.036 9.898 -0.383 1.00 55.40 H new ATOM 0 HB ILE A 15 -5.384 11.791 -2.361 1.00 74.11 H new ATOM 0 HG12 ILE A 15 -3.899 10.228 -3.518 1.00 2.21 H new ATOM 0 HG13 ILE A 15 -3.221 11.844 -3.527 1.00 2.21 H new ATOM 0 HG21 ILE A 15 -3.665 13.418 -1.641 1.00 70.25 H new ATOM 0 HG22 ILE A 15 -4.716 12.926 -0.292 1.00 70.25 H new ATOM 0 HG23 ILE A 15 -3.076 12.251 -0.433 1.00 70.25 H new ATOM 0 HD11 ILE A 15 -1.489 10.169 -3.085 1.00 53.35 H new ATOM 0 HD12 ILE A 15 -1.703 11.231 -1.674 1.00 53.35 H new ATOM 0 HD13 ILE A 15 -2.392 9.591 -1.665 1.00 53.35 H new ATOM 256 N THR A 16 -5.874 10.228 1.303 1.00 34.34 N ATOM 257 CA THR A 16 -6.766 10.663 2.388 1.00 61.41 C ATOM 258 C THR A 16 -6.108 11.762 3.239 1.00 21.21 C ATOM 259 O THR A 16 -6.606 12.886 3.314 1.00 42.03 O ATOM 260 CB THR A 16 -7.162 9.481 3.309 1.00 22.34 C ATOM 261 OG1 THR A 16 -5.992 8.903 3.911 1.00 21.30 O ATOM 262 CG2 THR A 16 -7.917 8.409 2.528 1.00 13.30 C ATOM 0 H THR A 16 -5.180 9.536 1.584 1.00 34.34 H new ATOM 0 HA THR A 16 -7.665 11.060 1.915 1.00 61.41 H new ATOM 0 HB THR A 16 -7.815 9.870 4.090 1.00 22.34 H new ATOM 0 HG1 THR A 16 -6.256 8.159 4.491 1.00 21.30 H new ATOM 0 HG21 THR A 16 -8.183 7.591 3.197 1.00 13.30 H new ATOM 0 HG22 THR A 16 -8.824 8.839 2.103 1.00 13.30 H new ATOM 0 HG23 THR A 16 -7.284 8.030 1.726 1.00 13.30 H new ATOM 270 N VAL A 17 -4.980 11.431 3.870 1.00 2.11 N ATOM 271 CA VAL A 17 -4.244 12.389 4.709 1.00 14.14 C ATOM 272 C VAL A 17 -3.188 13.174 3.906 1.00 62.31 C ATOM 273 O VAL A 17 -2.345 12.594 3.219 1.00 32.23 O ATOM 274 CB VAL A 17 -3.562 11.685 5.912 1.00 44.02 C ATOM 275 CG1 VAL A 17 -4.609 11.114 6.865 1.00 53.25 C ATOM 276 CG2 VAL A 17 -2.607 10.589 5.437 1.00 22.43 C ATOM 0 H VAL A 17 -4.553 10.506 3.818 1.00 2.11 H new ATOM 0 HA VAL A 17 -4.984 13.096 5.084 1.00 14.14 H new ATOM 0 HB VAL A 17 -2.977 12.430 6.451 1.00 44.02 H new ATOM 0 HG11 VAL A 17 -4.111 10.624 7.702 1.00 53.25 H new ATOM 0 HG12 VAL A 17 -5.239 11.921 7.239 1.00 53.25 H new ATOM 0 HG13 VAL A 17 -5.226 10.388 6.335 1.00 53.25 H new ATOM 0 HG21 VAL A 17 -2.143 10.112 6.300 1.00 22.43 H new ATOM 0 HG22 VAL A 17 -3.162 9.845 4.866 1.00 22.43 H new ATOM 0 HG23 VAL A 17 -1.834 11.028 4.806 1.00 22.43 H new ATOM 286 N ASP A 18 -3.252 14.499 4.003 1.00 55.13 N ATOM 287 CA ASP A 18 -2.339 15.398 3.289 1.00 21.21 C ATOM 288 C ASP A 18 -1.752 16.468 4.233 1.00 33.30 C ATOM 289 O ASP A 18 -1.956 16.419 5.447 1.00 44.34 O ATOM 290 CB ASP A 18 -3.079 16.064 2.123 1.00 13.34 C ATOM 291 CG ASP A 18 -4.264 16.891 2.586 1.00 52.22 C ATOM 292 OD1 ASP A 18 -5.313 16.297 2.921 1.00 14.45 O ATOM 293 OD2 ASP A 18 -4.159 18.129 2.611 1.00 24.02 O ATOM 0 H ASP A 18 -3.939 14.985 4.580 1.00 55.13 H new ATOM 0 HA ASP A 18 -1.509 14.808 2.902 1.00 21.21 H new ATOM 0 HB2 ASP A 18 -2.387 16.702 1.574 1.00 13.34 H new ATOM 0 HB3 ASP A 18 -3.424 15.297 1.430 1.00 13.34 H new ATOM 298 N GLY A 19 -1.008 17.421 3.668 1.00 12.11 N ATOM 299 CA GLY A 19 -0.485 18.538 4.454 1.00 44.25 C ATOM 300 C GLY A 19 0.656 18.181 5.410 1.00 52.02 C ATOM 301 O GLY A 19 1.060 19.010 6.228 1.00 55.24 O ATOM 0 H GLY A 19 -0.757 17.442 2.680 1.00 12.11 H new ATOM 0 HA2 GLY A 19 -0.136 19.312 3.770 1.00 44.25 H new ATOM 0 HA3 GLY A 19 -1.302 18.969 5.033 1.00 44.25 H new ATOM 305 N LYS A 20 1.186 16.962 5.318 1.00 52.54 N ATOM 306 CA LYS A 20 2.300 16.543 6.181 1.00 43.50 C ATOM 307 C LYS A 20 3.618 17.212 5.753 1.00 61.34 C ATOM 308 O LYS A 20 4.508 16.558 5.211 1.00 61.44 O ATOM 309 CB LYS A 20 2.464 15.018 6.136 1.00 40.23 C ATOM 310 CG LYS A 20 1.242 14.231 6.600 1.00 53.13 C ATOM 311 CD LYS A 20 0.983 14.394 8.097 1.00 23.42 C ATOM 312 CE LYS A 20 -0.131 13.467 8.578 1.00 51.32 C ATOM 313 NZ LYS A 20 -0.326 13.536 10.053 1.00 51.32 N ATOM 0 H LYS A 20 0.868 16.249 4.661 1.00 52.54 H new ATOM 0 HA LYS A 20 2.066 16.855 7.199 1.00 43.50 H new ATOM 0 HB2 LYS A 20 2.703 14.722 5.115 1.00 40.23 H new ATOM 0 HB3 LYS A 20 3.316 14.739 6.757 1.00 40.23 H new ATOM 0 HG2 LYS A 20 0.366 14.563 6.043 1.00 53.13 H new ATOM 0 HG3 LYS A 20 1.384 13.175 6.371 1.00 53.13 H new ATOM 0 HD2 LYS A 20 1.898 14.182 8.650 1.00 23.42 H new ATOM 0 HD3 LYS A 20 0.714 15.429 8.310 1.00 23.42 H new ATOM 0 HE2 LYS A 20 -1.062 13.732 8.078 1.00 51.32 H new ATOM 0 HE3 LYS A 20 0.104 12.442 8.292 1.00 51.32 H new ATOM 0 HZ1 LYS A 20 -1.092 12.890 10.333 1.00 51.32 H new ATOM 0 HZ2 LYS A 20 0.554 13.258 10.533 1.00 51.32 H new ATOM 0 HZ3 LYS A 20 -0.576 14.508 10.325 1.00 51.32 H new ATOM 327 N GLU A 21 3.740 18.516 5.995 1.00 73.43 N ATOM 328 CA GLU A 21 4.931 19.269 5.581 1.00 43.14 C ATOM 329 C GLU A 21 6.164 18.888 6.414 1.00 13.12 C ATOM 330 O GLU A 21 6.145 18.961 7.646 1.00 62.14 O ATOM 331 CB GLU A 21 4.685 20.782 5.687 1.00 31.44 C ATOM 332 CG GLU A 21 3.555 21.293 4.802 1.00 31.21 C ATOM 333 CD GLU A 21 3.476 22.813 4.783 1.00 73.21 C ATOM 334 OE1 GLU A 21 3.257 23.418 5.850 1.00 41.43 O ATOM 335 OE2 GLU A 21 3.663 23.415 3.705 1.00 10.23 O ATOM 0 H GLU A 21 3.034 19.075 6.474 1.00 73.43 H new ATOM 0 HA GLU A 21 5.127 19.008 4.541 1.00 43.14 H new ATOM 0 HB2 GLU A 21 4.460 21.031 6.724 1.00 31.44 H new ATOM 0 HB3 GLU A 21 5.603 21.308 5.425 1.00 31.44 H new ATOM 0 HG2 GLU A 21 3.699 20.926 3.786 1.00 31.21 H new ATOM 0 HG3 GLU A 21 2.608 20.887 5.156 1.00 31.21 H new ATOM 342 N VAL A 22 7.233 18.481 5.732 1.00 24.15 N ATOM 343 CA VAL A 22 8.504 18.152 6.391 1.00 40.10 C ATOM 344 C VAL A 22 9.287 19.429 6.766 1.00 24.32 C ATOM 345 O VAL A 22 10.437 19.627 6.369 1.00 33.41 O ATOM 346 CB VAL A 22 9.374 17.231 5.489 1.00 53.31 C ATOM 347 CG1 VAL A 22 8.712 15.861 5.329 1.00 70.24 C ATOM 348 CG2 VAL A 22 9.624 17.876 4.120 1.00 31.43 C ATOM 0 H VAL A 22 7.248 18.370 4.718 1.00 24.15 H new ATOM 0 HA VAL A 22 8.269 17.615 7.310 1.00 40.10 H new ATOM 0 HB VAL A 22 10.340 17.094 5.975 1.00 53.31 H new ATOM 0 HG11 VAL A 22 9.333 15.228 4.695 1.00 70.24 H new ATOM 0 HG12 VAL A 22 8.599 15.395 6.308 1.00 70.24 H new ATOM 0 HG13 VAL A 22 7.731 15.982 4.870 1.00 70.24 H new ATOM 0 HG21 VAL A 22 10.235 17.210 3.510 1.00 31.43 H new ATOM 0 HG22 VAL A 22 8.671 18.052 3.621 1.00 31.43 H new ATOM 0 HG23 VAL A 22 10.144 18.824 4.254 1.00 31.43 H new ATOM 358 N HIS A 23 8.655 20.276 7.574 1.00 23.13 N ATOM 359 CA HIS A 23 9.215 21.580 7.948 1.00 45.24 C ATOM 360 C HIS A 23 9.902 21.518 9.327 1.00 21.31 C ATOM 361 O HIS A 23 9.842 22.467 10.104 1.00 64.44 O ATOM 362 CB HIS A 23 8.082 22.623 7.950 1.00 25.11 C ATOM 363 CG HIS A 23 8.543 24.043 8.106 1.00 45.45 C ATOM 364 ND1 HIS A 23 8.531 24.711 9.309 1.00 75.02 N ATOM 365 CD2 HIS A 23 9.017 24.928 7.198 1.00 33.03 C ATOM 366 CE1 HIS A 23 8.973 25.940 9.137 1.00 25.00 C ATOM 367 NE2 HIS A 23 9.276 26.099 7.863 1.00 10.11 N ATOM 0 H HIS A 23 7.743 20.083 7.989 1.00 23.13 H new ATOM 0 HA HIS A 23 9.976 21.865 7.222 1.00 45.24 H new ATOM 0 HB2 HIS A 23 7.524 22.536 7.018 1.00 25.11 H new ATOM 0 HB3 HIS A 23 7.390 22.388 8.759 1.00 25.11 H new ATOM 0 HD2 HIS A 23 9.164 24.745 6.144 1.00 33.03 H new ATOM 0 HE1 HIS A 23 9.071 26.690 9.908 1.00 25.00 H new ATOM 0 HE2 HIS A 23 9.643 26.953 7.442 1.00 10.11 H new ATOM 491 N TYR A 32 13.329 23.260 4.347 1.00 42.31 N ATOM 492 CA TYR A 32 12.344 22.343 3.753 1.00 25.02 C ATOM 493 C TYR A 32 10.902 22.727 4.115 1.00 24.33 C ATOM 494 O TYR A 32 10.634 23.228 5.211 1.00 12.32 O ATOM 495 CB TYR A 32 12.597 20.903 4.215 1.00 43.03 C ATOM 496 CG TYR A 32 13.872 20.289 3.683 1.00 30.34 C ATOM 497 CD1 TYR A 32 13.900 19.679 2.434 1.00 11.22 C ATOM 498 CD2 TYR A 32 15.042 20.301 4.433 1.00 13.53 C ATOM 499 CE1 TYR A 32 15.056 19.098 1.948 1.00 32.12 C ATOM 500 CE2 TYR A 32 16.200 19.727 3.953 1.00 32.20 C ATOM 501 CZ TYR A 32 16.202 19.126 2.712 1.00 51.31 C ATOM 502 OH TYR A 32 17.358 18.543 2.238 1.00 43.01 O ATOM 0 HA TYR A 32 12.464 22.418 2.672 1.00 25.02 H new ATOM 0 HB2 TYR A 32 12.627 20.884 5.304 1.00 43.03 H new ATOM 0 HB3 TYR A 32 11.755 20.283 3.908 1.00 43.03 H new ATOM 0 HD1 TYR A 32 13.003 19.659 1.833 1.00 11.22 H new ATOM 0 HD2 TYR A 32 15.044 20.767 5.407 1.00 13.53 H new ATOM 0 HE1 TYR A 32 15.061 18.626 0.977 1.00 32.12 H new ATOM 0 HE2 TYR A 32 17.102 19.748 4.547 1.00 32.20 H new ATOM 0 HH TYR A 32 18.074 18.652 2.898 1.00 43.01 H new ATOM 512 N LYS A 33 9.979 22.477 3.188 1.00 74.40 N ATOM 513 CA LYS A 33 8.548 22.665 3.443 1.00 61.43 C ATOM 514 C LYS A 33 7.718 21.968 2.356 1.00 32.04 C ATOM 515 O LYS A 33 6.936 22.594 1.637 1.00 55.43 O ATOM 516 CB LYS A 33 8.204 24.163 3.517 1.00 11.03 C ATOM 517 CG LYS A 33 6.896 24.462 4.244 1.00 30.03 C ATOM 518 CD LYS A 33 6.734 25.956 4.517 1.00 15.13 C ATOM 519 CE LYS A 33 5.541 26.243 5.421 1.00 73.23 C ATOM 520 NZ LYS A 33 4.247 25.922 4.764 1.00 52.22 N ATOM 0 H LYS A 33 10.196 22.142 2.249 1.00 74.40 H new ATOM 0 HA LYS A 33 8.303 22.214 4.405 1.00 61.43 H new ATOM 0 HB2 LYS A 33 9.016 24.688 4.020 1.00 11.03 H new ATOM 0 HB3 LYS A 33 8.145 24.563 2.505 1.00 11.03 H new ATOM 0 HG2 LYS A 33 6.057 24.108 3.645 1.00 30.03 H new ATOM 0 HG3 LYS A 33 6.869 23.914 5.186 1.00 30.03 H new ATOM 0 HD2 LYS A 33 7.642 26.341 4.981 1.00 15.13 H new ATOM 0 HD3 LYS A 33 6.610 26.486 3.573 1.00 15.13 H new ATOM 0 HE2 LYS A 33 5.635 25.662 6.338 1.00 73.23 H new ATOM 0 HE3 LYS A 33 5.550 27.295 5.708 1.00 73.23 H new ATOM 0 HZ1 LYS A 33 3.496 25.870 5.482 1.00 52.22 H new ATOM 0 HZ2 LYS A 33 4.015 26.664 4.073 1.00 52.22 H new ATOM 0 HZ3 LYS A 33 4.323 25.007 4.276 1.00 52.22 H new ATOM 534 N ASP A 34 7.913 20.660 2.246 1.00 13.42 N ATOM 535 CA ASP A 34 7.258 19.852 1.218 1.00 1.24 C ATOM 536 C ASP A 34 6.244 18.884 1.843 1.00 5.24 C ATOM 537 O ASP A 34 6.432 18.406 2.966 1.00 15.12 O ATOM 538 CB ASP A 34 8.319 19.085 0.420 1.00 0.20 C ATOM 539 CG ASP A 34 9.369 20.017 -0.171 1.00 35.05 C ATOM 540 OD1 ASP A 34 10.229 20.513 0.594 1.00 23.43 O ATOM 541 OD2 ASP A 34 9.338 20.268 -1.392 1.00 70.14 O ATOM 0 H ASP A 34 8.527 20.128 2.863 1.00 13.42 H new ATOM 0 HA ASP A 34 6.711 20.512 0.545 1.00 1.24 H new ATOM 0 HB2 ASP A 34 8.805 18.356 1.069 1.00 0.20 H new ATOM 0 HB3 ASP A 34 7.837 18.526 -0.382 1.00 0.20 H new ATOM 546 N TYR A 35 5.180 18.591 1.106 1.00 2.33 N ATOM 547 CA TYR A 35 4.060 17.790 1.613 1.00 22.42 C ATOM 548 C TYR A 35 4.319 16.281 1.469 1.00 2.14 C ATOM 549 O TYR A 35 4.314 15.736 0.364 1.00 14.22 O ATOM 550 CB TYR A 35 2.774 18.184 0.874 1.00 52.55 C ATOM 551 CG TYR A 35 2.493 19.674 0.929 1.00 42.13 C ATOM 552 CD1 TYR A 35 3.159 20.558 0.086 1.00 73.11 C ATOM 553 CD2 TYR A 35 1.577 20.201 1.831 1.00 51.44 C ATOM 554 CE1 TYR A 35 2.920 21.915 0.138 1.00 2.30 C ATOM 555 CE2 TYR A 35 1.330 21.559 1.888 1.00 32.53 C ATOM 556 CZ TYR A 35 2.005 22.410 1.038 1.00 60.11 C ATOM 557 OH TYR A 35 1.768 23.766 1.093 1.00 4.50 O ATOM 0 H TYR A 35 5.064 18.899 0.141 1.00 2.33 H new ATOM 0 HA TYR A 35 3.952 17.997 2.678 1.00 22.42 H new ATOM 0 HB2 TYR A 35 2.850 17.872 -0.168 1.00 52.55 H new ATOM 0 HB3 TYR A 35 1.932 17.645 1.308 1.00 52.55 H new ATOM 0 HD1 TYR A 35 3.877 20.174 -0.623 1.00 73.11 H new ATOM 0 HD2 TYR A 35 1.049 19.537 2.499 1.00 51.44 H new ATOM 0 HE1 TYR A 35 3.448 22.585 -0.524 1.00 2.30 H new ATOM 0 HE2 TYR A 35 0.613 21.952 2.594 1.00 32.53 H new ATOM 0 HH TYR A 35 1.094 23.953 1.780 1.00 4.50 H new ATOM 567 N GLU A 36 4.546 15.621 2.596 1.00 0.13 N ATOM 568 CA GLU A 36 4.833 14.183 2.624 1.00 52.52 C ATOM 569 C GLU A 36 3.542 13.347 2.702 1.00 20.23 C ATOM 570 O GLU A 36 2.531 13.790 3.246 1.00 22.53 O ATOM 571 CB GLU A 36 5.742 13.864 3.820 1.00 3.15 C ATOM 572 CG GLU A 36 6.145 12.397 3.924 1.00 1.35 C ATOM 573 CD GLU A 36 7.047 12.119 5.116 1.00 24.43 C ATOM 574 OE1 GLU A 36 6.525 11.914 6.233 1.00 33.34 O ATOM 575 OE2 GLU A 36 8.281 12.095 4.947 1.00 14.23 O ATOM 0 H GLU A 36 4.538 16.060 3.517 1.00 0.13 H new ATOM 0 HA GLU A 36 5.340 13.920 1.696 1.00 52.52 H new ATOM 0 HB2 GLU A 36 6.643 14.473 3.750 1.00 3.15 H new ATOM 0 HB3 GLU A 36 5.232 14.155 4.738 1.00 3.15 H new ATOM 0 HG2 GLU A 36 5.248 11.783 4.001 1.00 1.35 H new ATOM 0 HG3 GLU A 36 6.657 12.099 3.009 1.00 1.35 H new ATOM 582 N TYR A 37 3.585 12.137 2.149 1.00 51.32 N ATOM 583 CA TYR A 37 2.431 11.232 2.171 1.00 33.35 C ATOM 584 C TYR A 37 2.813 9.830 2.684 1.00 35.22 C ATOM 585 O TYR A 37 3.585 9.114 2.046 1.00 71.12 O ATOM 586 CB TYR A 37 1.813 11.120 0.766 1.00 22.13 C ATOM 587 CG TYR A 37 1.098 12.376 0.301 1.00 74.14 C ATOM 588 CD1 TYR A 37 -0.195 12.656 0.732 1.00 53.22 C ATOM 589 CD2 TYR A 37 1.706 13.275 -0.571 1.00 5.05 C ATOM 590 CE1 TYR A 37 -0.858 13.789 0.308 1.00 73.11 C ATOM 591 CE2 TYR A 37 1.046 14.415 -0.996 1.00 74.45 C ATOM 592 CZ TYR A 37 -0.236 14.665 -0.552 1.00 3.52 C ATOM 593 OH TYR A 37 -0.903 15.792 -0.973 1.00 31.32 O ATOM 0 H TYR A 37 4.407 11.757 1.679 1.00 51.32 H new ATOM 0 HA TYR A 37 1.699 11.655 2.859 1.00 33.35 H new ATOM 0 HB2 TYR A 37 2.601 10.878 0.053 1.00 22.13 H new ATOM 0 HB3 TYR A 37 1.108 10.289 0.756 1.00 22.13 H new ATOM 0 HD1 TYR A 37 -0.688 11.975 1.410 1.00 53.22 H new ATOM 0 HD2 TYR A 37 2.709 13.080 -0.921 1.00 5.05 H new ATOM 0 HE1 TYR A 37 -1.863 13.988 0.650 1.00 73.11 H new ATOM 0 HE2 TYR A 37 1.532 15.104 -1.671 1.00 74.45 H new ATOM 0 HH TYR A 37 -0.862 16.477 -0.273 1.00 31.32 H new ATOM 603 N LYS A 38 2.281 9.458 3.852 1.00 11.02 N ATOM 604 CA LYS A 38 2.430 8.093 4.387 1.00 33.13 C ATOM 605 C LYS A 38 1.202 7.240 4.007 1.00 40.24 C ATOM 606 O LYS A 38 0.163 7.295 4.671 1.00 41.13 O ATOM 607 CB LYS A 38 2.603 8.129 5.920 1.00 71.30 C ATOM 608 CG LYS A 38 3.996 7.734 6.414 1.00 2.52 C ATOM 609 CD LYS A 38 5.085 8.709 5.956 1.00 44.41 C ATOM 610 CE LYS A 38 6.447 8.343 6.547 1.00 53.01 C ATOM 611 NZ LYS A 38 7.521 9.290 6.137 1.00 42.21 N ATOM 0 H LYS A 38 1.740 10.083 4.450 1.00 11.02 H new ATOM 0 HA LYS A 38 3.322 7.642 3.951 1.00 33.13 H new ATOM 0 HB2 LYS A 38 2.378 9.135 6.274 1.00 71.30 H new ATOM 0 HB3 LYS A 38 1.869 7.461 6.371 1.00 71.30 H new ATOM 0 HG2 LYS A 38 3.991 7.687 7.503 1.00 2.52 H new ATOM 0 HG3 LYS A 38 4.235 6.734 6.053 1.00 2.52 H new ATOM 0 HD2 LYS A 38 5.146 8.704 4.868 1.00 44.41 H new ATOM 0 HD3 LYS A 38 4.817 9.722 6.255 1.00 44.41 H new ATOM 0 HE2 LYS A 38 6.375 8.329 7.635 1.00 53.01 H new ATOM 0 HE3 LYS A 38 6.717 7.335 6.232 1.00 53.01 H new ATOM 0 HZ1 LYS A 38 8.412 9.027 6.604 1.00 42.21 H new ATOM 0 HZ2 LYS A 38 7.645 9.248 5.105 1.00 42.21 H new ATOM 0 HZ3 LYS A 38 7.256 10.257 6.415 1.00 42.21 H new ATOM 625 N LEU A 39 1.329 6.457 2.941 1.00 20.44 N ATOM 626 CA LEU A 39 0.182 5.753 2.353 1.00 20.20 C ATOM 627 C LEU A 39 0.276 4.227 2.539 1.00 45.20 C ATOM 628 O LEU A 39 1.364 3.654 2.552 1.00 1.42 O ATOM 629 CB LEU A 39 0.097 6.085 0.855 1.00 42.11 C ATOM 630 CG LEU A 39 0.217 7.581 0.505 1.00 42.25 C ATOM 631 CD1 LEU A 39 0.154 7.786 -1.004 1.00 43.33 C ATOM 632 CD2 LEU A 39 -0.865 8.402 1.207 1.00 45.51 C ATOM 0 H LEU A 39 2.214 6.290 2.462 1.00 20.44 H new ATOM 0 HA LEU A 39 -0.716 6.090 2.871 1.00 20.20 H new ATOM 0 HB2 LEU A 39 0.886 5.542 0.334 1.00 42.11 H new ATOM 0 HB3 LEU A 39 -0.853 5.714 0.471 1.00 42.11 H new ATOM 0 HG LEU A 39 1.186 7.932 0.861 1.00 42.25 H new ATOM 0 HD11 LEU A 39 0.240 8.849 -1.231 1.00 43.33 H new ATOM 0 HD12 LEU A 39 0.973 7.246 -1.479 1.00 43.33 H new ATOM 0 HD13 LEU A 39 -0.796 7.410 -1.383 1.00 43.33 H new ATOM 0 HD21 LEU A 39 -0.754 9.453 0.941 1.00 45.51 H new ATOM 0 HD22 LEU A 39 -1.848 8.050 0.895 1.00 45.51 H new ATOM 0 HD23 LEU A 39 -0.765 8.289 2.286 1.00 45.51 H new ATOM 644 N THR A 40 -0.879 3.571 2.677 1.00 53.42 N ATOM 645 CA THR A 40 -0.932 2.103 2.759 1.00 2.41 C ATOM 646 C THR A 40 -1.385 1.495 1.423 1.00 53.02 C ATOM 647 O THR A 40 -2.466 1.808 0.923 1.00 3.00 O ATOM 648 CB THR A 40 -1.888 1.615 3.877 1.00 33.12 C ATOM 649 OG1 THR A 40 -1.435 2.071 5.164 1.00 75.11 O ATOM 650 CG2 THR A 40 -1.987 0.091 3.888 1.00 32.43 C ATOM 0 H THR A 40 -1.789 4.028 2.734 1.00 53.42 H new ATOM 0 HA THR A 40 0.079 1.771 2.995 1.00 2.41 H new ATOM 0 HB THR A 40 -2.874 2.031 3.672 1.00 33.12 H new ATOM 0 HG1 THR A 40 -2.051 1.756 5.858 1.00 75.11 H new ATOM 0 HG21 THR A 40 -2.664 -0.224 4.682 1.00 32.43 H new ATOM 0 HG22 THR A 40 -2.368 -0.256 2.927 1.00 32.43 H new ATOM 0 HG23 THR A 40 -1.000 -0.337 4.062 1.00 32.43 H new ATOM 658 N GLY A 41 -0.554 0.626 0.853 1.00 24.31 N ATOM 659 CA GLY A 41 -0.883 -0.021 -0.416 1.00 75.22 C ATOM 660 C GLY A 41 -1.317 -1.469 -0.247 1.00 2.51 C ATOM 661 O GLY A 41 -0.833 -2.174 0.641 1.00 1.31 O ATOM 0 H GLY A 41 0.347 0.354 1.246 1.00 24.31 H new ATOM 0 HA2 GLY A 41 -1.680 0.537 -0.907 1.00 75.22 H new ATOM 0 HA3 GLY A 41 -0.015 0.018 -1.074 1.00 75.22 H new ATOM 665 N PHE A 42 -2.230 -1.919 -1.103 1.00 31.34 N ATOM 666 CA PHE A 42 -2.743 -3.291 -1.040 1.00 64.43 C ATOM 667 C PHE A 42 -2.289 -4.115 -2.257 1.00 14.13 C ATOM 668 O PHE A 42 -2.514 -3.732 -3.407 1.00 42.52 O ATOM 669 CB PHE A 42 -4.272 -3.272 -0.936 1.00 10.53 C ATOM 670 CG PHE A 42 -4.772 -2.532 0.282 1.00 74.20 C ATOM 671 CD1 PHE A 42 -4.896 -3.179 1.505 1.00 21.24 C ATOM 672 CD2 PHE A 42 -5.110 -1.187 0.205 1.00 64.54 C ATOM 673 CE1 PHE A 42 -5.345 -2.501 2.623 1.00 62.23 C ATOM 674 CE2 PHE A 42 -5.559 -0.505 1.321 1.00 11.44 C ATOM 675 CZ PHE A 42 -5.677 -1.163 2.530 1.00 13.42 C ATOM 0 H PHE A 42 -2.633 -1.355 -1.851 1.00 31.34 H new ATOM 0 HA PHE A 42 -2.334 -3.770 -0.150 1.00 64.43 H new ATOM 0 HB2 PHE A 42 -4.686 -2.808 -1.831 1.00 10.53 H new ATOM 0 HB3 PHE A 42 -4.641 -4.297 -0.908 1.00 10.53 H new ATOM 0 HD1 PHE A 42 -4.638 -4.225 1.583 1.00 21.24 H new ATOM 0 HD2 PHE A 42 -5.021 -0.668 -0.738 1.00 64.54 H new ATOM 0 HE1 PHE A 42 -5.436 -3.016 3.568 1.00 62.23 H new ATOM 0 HE2 PHE A 42 -5.817 0.541 1.248 1.00 11.44 H new ATOM 0 HZ PHE A 42 -6.029 -0.632 3.402 1.00 13.42 H new ATOM 685 N ASP A 43 -1.641 -5.246 -1.984 1.00 4.43 N ATOM 686 CA ASP A 43 -1.117 -6.130 -3.027 1.00 53.33 C ATOM 687 C ASP A 43 -2.245 -6.840 -3.802 1.00 41.21 C ATOM 688 O ASP A 43 -3.339 -7.056 -3.280 1.00 31.45 O ATOM 689 CB ASP A 43 -0.168 -7.155 -2.388 1.00 42.42 C ATOM 690 CG ASP A 43 0.363 -8.175 -3.380 1.00 62.42 C ATOM 691 OD1 ASP A 43 1.251 -7.829 -4.185 1.00 70.22 O ATOM 692 OD2 ASP A 43 -0.111 -9.328 -3.360 1.00 0.23 O ATOM 0 H ASP A 43 -1.464 -5.576 -1.035 1.00 4.43 H new ATOM 0 HA ASP A 43 -0.572 -5.524 -3.750 1.00 53.33 H new ATOM 0 HB2 ASP A 43 0.671 -6.629 -1.932 1.00 42.42 H new ATOM 0 HB3 ASP A 43 -0.692 -7.675 -1.586 1.00 42.42 H new ATOM 697 N LYS A 44 -1.941 -7.227 -5.042 1.00 35.13 N ATOM 698 CA LYS A 44 -2.916 -7.858 -5.949 1.00 13.11 C ATOM 699 C LYS A 44 -3.437 -9.211 -5.424 1.00 35.34 C ATOM 700 O LYS A 44 -4.420 -9.749 -5.938 1.00 44.11 O ATOM 701 CB LYS A 44 -2.266 -8.048 -7.327 1.00 41.44 C ATOM 702 CG LYS A 44 -1.897 -6.734 -8.016 1.00 35.14 C ATOM 703 CD LYS A 44 -0.905 -6.943 -9.161 1.00 74.15 C ATOM 704 CE LYS A 44 0.446 -7.433 -8.647 1.00 35.10 C ATOM 705 NZ LYS A 44 1.458 -7.543 -9.731 1.00 72.25 N ATOM 0 H LYS A 44 -1.013 -7.114 -5.451 1.00 35.13 H new ATOM 0 HA LYS A 44 -3.779 -7.196 -6.017 1.00 13.11 H new ATOM 0 HB2 LYS A 44 -1.367 -8.655 -7.215 1.00 41.44 H new ATOM 0 HB3 LYS A 44 -2.949 -8.605 -7.968 1.00 41.44 H new ATOM 0 HG2 LYS A 44 -2.800 -6.261 -8.401 1.00 35.14 H new ATOM 0 HG3 LYS A 44 -1.467 -6.050 -7.284 1.00 35.14 H new ATOM 0 HD2 LYS A 44 -1.311 -7.667 -9.868 1.00 74.15 H new ATOM 0 HD3 LYS A 44 -0.772 -6.007 -9.704 1.00 74.15 H new ATOM 0 HE2 LYS A 44 0.811 -6.748 -7.881 1.00 35.10 H new ATOM 0 HE3 LYS A 44 0.320 -8.405 -8.171 1.00 35.10 H new ATOM 0 HZ1 LYS A 44 2.405 -7.357 -9.342 1.00 72.25 H new ATOM 0 HZ2 LYS A 44 1.431 -8.501 -10.135 1.00 72.25 H new ATOM 0 HZ3 LYS A 44 1.247 -6.848 -10.475 1.00 72.25 H new ATOM 719 N ASP A 45 -2.764 -9.766 -4.418 1.00 24.40 N ATOM 720 CA ASP A 45 -3.195 -11.018 -3.784 1.00 14.34 C ATOM 721 C ASP A 45 -3.898 -10.746 -2.434 1.00 41.11 C ATOM 722 O ASP A 45 -4.523 -11.634 -1.853 1.00 61.22 O ATOM 723 CB ASP A 45 -1.977 -11.933 -3.598 1.00 34.31 C ATOM 724 CG ASP A 45 -2.314 -13.262 -2.946 1.00 75.35 C ATOM 725 OD1 ASP A 45 -2.930 -14.123 -3.614 1.00 30.34 O ATOM 726 OD2 ASP A 45 -1.944 -13.457 -1.771 1.00 64.32 O ATOM 0 H ASP A 45 -1.913 -9.369 -4.020 1.00 24.40 H new ATOM 0 HA ASP A 45 -3.920 -11.514 -4.429 1.00 14.34 H new ATOM 0 HB2 ASP A 45 -1.520 -12.119 -4.570 1.00 34.31 H new ATOM 0 HB3 ASP A 45 -1.234 -11.417 -2.990 1.00 34.31 H new ATOM 731 N GLY A 46 -3.805 -9.507 -1.949 1.00 54.21 N ATOM 732 CA GLY A 46 -4.460 -9.128 -0.696 1.00 54.34 C ATOM 733 C GLY A 46 -3.495 -8.964 0.481 1.00 54.00 C ATOM 734 O GLY A 46 -3.762 -9.451 1.580 1.00 62.34 O ATOM 0 H GLY A 46 -3.287 -8.754 -2.401 1.00 54.21 H new ATOM 0 HA2 GLY A 46 -4.997 -8.192 -0.847 1.00 54.34 H new ATOM 0 HA3 GLY A 46 -5.203 -9.884 -0.442 1.00 54.34 H new ATOM 738 N LYS A 47 -2.381 -8.270 0.256 1.00 3.24 N ATOM 739 CA LYS A 47 -1.388 -8.018 1.316 1.00 61.42 C ATOM 740 C LYS A 47 -1.209 -6.507 1.554 1.00 74.21 C ATOM 741 O LYS A 47 -1.678 -5.692 0.764 1.00 51.40 O ATOM 742 CB LYS A 47 -0.037 -8.647 0.940 1.00 72.12 C ATOM 743 CG LYS A 47 -0.123 -10.121 0.544 1.00 54.12 C ATOM 744 CD LYS A 47 1.258 -10.716 0.276 1.00 32.53 C ATOM 745 CE LYS A 47 1.178 -12.175 -0.161 1.00 33.44 C ATOM 746 NZ LYS A 47 0.477 -12.336 -1.462 1.00 75.31 N ATOM 0 H LYS A 47 -2.137 -7.869 -0.650 1.00 3.24 H new ATOM 0 HA LYS A 47 -1.754 -8.474 2.236 1.00 61.42 H new ATOM 0 HB2 LYS A 47 0.396 -8.084 0.113 1.00 72.12 H new ATOM 0 HB3 LYS A 47 0.645 -8.548 1.784 1.00 72.12 H new ATOM 0 HG2 LYS A 47 -0.613 -10.683 1.339 1.00 54.12 H new ATOM 0 HG3 LYS A 47 -0.742 -10.223 -0.347 1.00 54.12 H new ATOM 0 HD2 LYS A 47 1.760 -10.133 -0.497 1.00 32.53 H new ATOM 0 HD3 LYS A 47 1.866 -10.641 1.177 1.00 32.53 H new ATOM 0 HE2 LYS A 47 2.185 -12.584 -0.240 1.00 33.44 H new ATOM 0 HE3 LYS A 47 0.658 -12.753 0.603 1.00 33.44 H new ATOM 0 HZ1 LYS A 47 0.965 -13.056 -2.032 1.00 75.31 H new ATOM 0 HZ2 LYS A 47 -0.505 -12.635 -1.293 1.00 75.31 H new ATOM 0 HZ3 LYS A 47 0.480 -11.430 -1.972 1.00 75.31 H new ATOM 760 N GLU A 48 -0.532 -6.137 2.641 1.00 33.30 N ATOM 761 CA GLU A 48 -0.258 -4.721 2.942 1.00 41.44 C ATOM 762 C GLU A 48 1.176 -4.322 2.555 1.00 25.34 C ATOM 763 O GLU A 48 2.112 -5.115 2.685 1.00 62.42 O ATOM 764 CB GLU A 48 -0.472 -4.432 4.434 1.00 73.14 C ATOM 765 CG GLU A 48 -1.922 -4.519 4.890 1.00 74.01 C ATOM 766 CD GLU A 48 -2.082 -4.164 6.362 1.00 23.25 C ATOM 767 OE1 GLU A 48 -2.036 -2.958 6.698 1.00 1.13 O ATOM 768 OE2 GLU A 48 -2.232 -5.087 7.190 1.00 54.44 O ATOM 0 H GLU A 48 -0.162 -6.792 3.330 1.00 33.30 H new ATOM 0 HA GLU A 48 -0.956 -4.131 2.348 1.00 41.44 H new ATOM 0 HB2 GLU A 48 0.122 -5.136 5.017 1.00 73.14 H new ATOM 0 HB3 GLU A 48 -0.093 -3.434 4.656 1.00 73.14 H new ATOM 0 HG2 GLU A 48 -2.532 -3.846 4.287 1.00 74.01 H new ATOM 0 HG3 GLU A 48 -2.296 -5.528 4.718 1.00 74.01 H new ATOM 775 N LYS A 49 1.341 -3.083 2.096 1.00 22.44 N ATOM 776 CA LYS A 49 2.665 -2.550 1.753 1.00 53.42 C ATOM 777 C LYS A 49 2.794 -1.086 2.219 1.00 24.41 C ATOM 778 O LYS A 49 1.834 -0.317 2.133 1.00 2.14 O ATOM 779 CB LYS A 49 2.901 -2.649 0.233 1.00 32.50 C ATOM 780 CG LYS A 49 4.349 -2.941 -0.157 1.00 0.22 C ATOM 781 CD LYS A 49 4.790 -4.328 0.321 1.00 25.14 C ATOM 782 CE LYS A 49 6.219 -4.656 -0.098 1.00 12.12 C ATOM 783 NZ LYS A 49 6.655 -5.989 0.399 1.00 31.22 N ATOM 0 H LYS A 49 0.575 -2.425 1.952 1.00 22.44 H new ATOM 0 HA LYS A 49 3.422 -3.144 2.265 1.00 53.42 H new ATOM 0 HB2 LYS A 49 2.262 -3.433 -0.172 1.00 32.50 H new ATOM 0 HB3 LYS A 49 2.592 -1.713 -0.233 1.00 32.50 H new ATOM 0 HG2 LYS A 49 4.455 -2.877 -1.240 1.00 0.22 H new ATOM 0 HG3 LYS A 49 5.003 -2.182 0.273 1.00 0.22 H new ATOM 0 HD2 LYS A 49 4.711 -4.378 1.407 1.00 25.14 H new ATOM 0 HD3 LYS A 49 4.113 -5.081 -0.082 1.00 25.14 H new ATOM 0 HE2 LYS A 49 6.292 -4.633 -1.185 1.00 12.12 H new ATOM 0 HE3 LYS A 49 6.893 -3.889 0.283 1.00 12.12 H new ATOM 0 HZ1 LYS A 49 7.632 -6.172 0.092 1.00 31.22 H new ATOM 0 HZ2 LYS A 49 6.611 -6.004 1.438 1.00 31.22 H new ATOM 0 HZ3 LYS A 49 6.028 -6.725 0.015 1.00 31.22 H new ATOM 797 N GLU A 50 3.971 -0.707 2.717 1.00 74.21 N ATOM 798 CA GLU A 50 4.198 0.658 3.224 1.00 51.33 C ATOM 799 C GLU A 50 4.712 1.606 2.123 1.00 52.01 C ATOM 800 O GLU A 50 5.805 1.415 1.588 1.00 12.02 O ATOM 801 CB GLU A 50 5.203 0.622 4.386 1.00 32.22 C ATOM 802 CG GLU A 50 5.451 1.984 5.033 1.00 72.54 C ATOM 803 CD GLU A 50 6.497 1.936 6.139 1.00 13.05 C ATOM 804 OE1 GLU A 50 6.414 1.043 7.012 1.00 60.11 O ATOM 805 OE2 GLU A 50 7.394 2.804 6.159 1.00 0.42 O ATOM 0 H GLU A 50 4.784 -1.320 2.783 1.00 74.21 H new ATOM 0 HA GLU A 50 3.239 1.043 3.572 1.00 51.33 H new ATOM 0 HB2 GLU A 50 4.840 -0.070 5.146 1.00 32.22 H new ATOM 0 HB3 GLU A 50 6.151 0.226 4.021 1.00 32.22 H new ATOM 0 HG2 GLU A 50 5.772 2.691 4.268 1.00 72.54 H new ATOM 0 HG3 GLU A 50 4.514 2.361 5.443 1.00 72.54 H new ATOM 812 N LEU A 51 3.918 2.629 1.797 1.00 71.32 N ATOM 813 CA LEU A 51 4.304 3.648 0.807 1.00 21.12 C ATOM 814 C LEU A 51 4.570 5.005 1.485 1.00 10.21 C ATOM 815 O LEU A 51 3.864 5.389 2.422 1.00 32.35 O ATOM 816 CB LEU A 51 3.198 3.834 -0.255 1.00 31.41 C ATOM 817 CG LEU A 51 2.910 2.633 -1.176 1.00 30.34 C ATOM 818 CD1 LEU A 51 4.174 2.165 -1.883 1.00 13.33 C ATOM 819 CD2 LEU A 51 2.269 1.482 -0.413 1.00 25.12 C ATOM 0 H LEU A 51 2.995 2.777 2.206 1.00 71.32 H new ATOM 0 HA LEU A 51 5.217 3.297 0.325 1.00 21.12 H new ATOM 0 HB2 LEU A 51 2.274 4.097 0.260 1.00 31.41 H new ATOM 0 HB3 LEU A 51 3.467 4.685 -0.881 1.00 31.41 H new ATOM 0 HG LEU A 51 2.200 2.971 -1.931 1.00 30.34 H new ATOM 0 HD11 LEU A 51 3.939 1.317 -2.526 1.00 13.33 H new ATOM 0 HD12 LEU A 51 4.575 2.978 -2.488 1.00 13.33 H new ATOM 0 HD13 LEU A 51 4.915 1.865 -1.142 1.00 13.33 H new ATOM 0 HD21 LEU A 51 2.081 0.653 -1.095 1.00 25.12 H new ATOM 0 HD22 LEU A 51 2.940 1.153 0.381 1.00 25.12 H new ATOM 0 HD23 LEU A 51 1.327 1.814 0.023 1.00 25.12 H new ATOM 831 N GLU A 52 5.578 5.738 1.011 1.00 24.10 N ATOM 832 CA GLU A 52 5.847 7.087 1.524 1.00 12.25 C ATOM 833 C GLU A 52 6.679 7.904 0.528 1.00 21.20 C ATOM 834 O GLU A 52 7.586 7.377 -0.117 1.00 20.24 O ATOM 835 CB GLU A 52 6.545 7.018 2.903 1.00 2.01 C ATOM 836 CG GLU A 52 8.043 6.679 2.871 1.00 2.02 C ATOM 837 CD GLU A 52 8.937 7.915 2.931 1.00 3.52 C ATOM 838 OE1 GLU A 52 8.921 8.611 3.971 1.00 15.12 O ATOM 839 OE2 GLU A 52 9.651 8.208 1.949 1.00 53.42 O ATOM 0 H GLU A 52 6.218 5.427 0.280 1.00 24.10 H new ATOM 0 HA GLU A 52 4.891 7.595 1.651 1.00 12.25 H new ATOM 0 HB2 GLU A 52 6.418 7.978 3.403 1.00 2.01 H new ATOM 0 HB3 GLU A 52 6.035 6.272 3.512 1.00 2.01 H new ATOM 0 HG2 GLU A 52 8.280 6.025 3.711 1.00 2.02 H new ATOM 0 HG3 GLU A 52 8.264 6.122 1.961 1.00 2.02 H new ATOM 846 N PHE A 53 6.346 9.187 0.385 1.00 74.43 N ATOM 847 CA PHE A 53 7.116 10.093 -0.480 1.00 15.04 C ATOM 848 C PHE A 53 6.843 11.564 -0.135 1.00 23.41 C ATOM 849 O PHE A 53 5.792 11.900 0.417 1.00 4.53 O ATOM 850 CB PHE A 53 6.794 9.834 -1.963 1.00 55.12 C ATOM 851 CG PHE A 53 5.375 10.171 -2.353 1.00 71.32 C ATOM 852 CD1 PHE A 53 4.354 9.251 -2.170 1.00 54.21 C ATOM 853 CD2 PHE A 53 5.066 11.409 -2.903 1.00 43.23 C ATOM 854 CE1 PHE A 53 3.057 9.556 -2.529 1.00 22.25 C ATOM 855 CE2 PHE A 53 3.770 11.718 -3.262 1.00 15.54 C ATOM 856 CZ PHE A 53 2.764 10.791 -3.075 1.00 41.34 C ATOM 0 H PHE A 53 5.552 9.625 0.853 1.00 74.43 H new ATOM 0 HA PHE A 53 8.173 9.891 -0.306 1.00 15.04 H new ATOM 0 HB2 PHE A 53 7.477 10.418 -2.580 1.00 55.12 H new ATOM 0 HB3 PHE A 53 6.981 8.784 -2.186 1.00 55.12 H new ATOM 0 HD1 PHE A 53 4.576 8.285 -1.742 1.00 54.21 H new ATOM 0 HD2 PHE A 53 5.849 12.138 -3.051 1.00 43.23 H new ATOM 0 HE1 PHE A 53 2.271 8.830 -2.383 1.00 22.25 H new ATOM 0 HE2 PHE A 53 3.543 12.684 -3.689 1.00 15.54 H new ATOM 0 HZ PHE A 53 1.749 11.031 -3.355 1.00 41.34 H new ATOM 866 N THR A 54 7.798 12.436 -0.454 1.00 63.34 N ATOM 867 CA THR A 54 7.635 13.884 -0.248 1.00 34.31 C ATOM 868 C THR A 54 7.369 14.617 -1.572 1.00 73.43 C ATOM 869 O THR A 54 8.176 14.551 -2.502 1.00 42.34 O ATOM 870 CB THR A 54 8.879 14.514 0.435 1.00 74.54 C ATOM 871 OG1 THR A 54 10.069 14.231 -0.323 1.00 61.35 O ATOM 872 CG2 THR A 54 9.047 13.992 1.858 1.00 74.31 C ATOM 0 H THR A 54 8.696 12.170 -0.857 1.00 63.34 H new ATOM 0 HA THR A 54 6.772 14.002 0.408 1.00 34.31 H new ATOM 0 HB THR A 54 8.724 15.592 0.473 1.00 74.54 H new ATOM 0 HG1 THR A 54 9.850 14.206 -1.278 1.00 61.35 H new ATOM 0 HG21 THR A 54 9.926 14.450 2.312 1.00 74.31 H new ATOM 0 HG22 THR A 54 8.163 14.243 2.444 1.00 74.31 H new ATOM 0 HG23 THR A 54 9.172 12.909 1.836 1.00 74.31 H new ATOM 880 N ALA A 55 6.234 15.308 -1.648 1.00 44.32 N ATOM 881 CA ALA A 55 5.862 16.099 -2.831 1.00 51.32 C ATOM 882 C ALA A 55 5.881 17.602 -2.509 1.00 22.42 C ATOM 883 O ALA A 55 5.605 18.003 -1.383 1.00 70.45 O ATOM 884 CB ALA A 55 4.482 15.680 -3.332 1.00 71.11 C ATOM 0 H ALA A 55 5.545 15.339 -0.897 1.00 44.32 H new ATOM 0 HA ALA A 55 6.594 15.909 -3.616 1.00 51.32 H new ATOM 0 HB1 ALA A 55 4.218 16.272 -4.208 1.00 71.11 H new ATOM 0 HB2 ALA A 55 4.497 14.623 -3.600 1.00 71.11 H new ATOM 0 HB3 ALA A 55 3.744 15.844 -2.547 1.00 71.11 H new ATOM 890 N GLN A 56 6.193 18.435 -3.499 1.00 30.33 N ATOM 891 CA GLN A 56 6.305 19.887 -3.276 1.00 13.01 C ATOM 892 C GLN A 56 4.923 20.557 -3.115 1.00 24.42 C ATOM 893 O GLN A 56 4.820 21.698 -2.656 1.00 22.01 O ATOM 894 CB GLN A 56 7.088 20.541 -4.428 1.00 31.42 C ATOM 895 CG GLN A 56 7.445 22.005 -4.187 1.00 63.24 C ATOM 896 CD GLN A 56 8.351 22.578 -5.264 1.00 64.01 C ATOM 897 OE1 GLN A 56 7.889 23.116 -6.264 1.00 11.31 O ATOM 898 NE2 GLN A 56 9.648 22.454 -5.075 1.00 4.22 N ATOM 0 H GLN A 56 6.373 18.139 -4.459 1.00 30.33 H new ATOM 0 HA GLN A 56 6.847 20.036 -2.342 1.00 13.01 H new ATOM 0 HB2 GLN A 56 8.006 19.977 -4.595 1.00 31.42 H new ATOM 0 HB3 GLN A 56 6.498 20.468 -5.342 1.00 31.42 H new ATOM 0 HG2 GLN A 56 6.529 22.594 -4.139 1.00 63.24 H new ATOM 0 HG3 GLN A 56 7.936 22.099 -3.218 1.00 63.24 H new ATOM 0 HE21 GLN A 56 9.999 22.001 -4.231 1.00 4.22 H new ATOM 0 HE22 GLN A 56 10.301 22.811 -5.772 1.00 4.22 H new ATOM 907 N LYS A 57 3.864 19.840 -3.488 1.00 40.25 N ATOM 908 CA LYS A 57 2.492 20.355 -3.374 1.00 52.14 C ATOM 909 C LYS A 57 1.502 19.214 -3.101 1.00 44.30 C ATOM 910 O LYS A 57 1.744 18.074 -3.496 1.00 20.03 O ATOM 911 CB LYS A 57 2.088 21.076 -4.671 1.00 34.43 C ATOM 912 CG LYS A 57 0.792 21.884 -4.557 1.00 73.04 C ATOM 913 CD LYS A 57 0.294 22.386 -5.918 1.00 22.40 C ATOM 914 CE LYS A 57 -0.666 21.401 -6.588 1.00 52.53 C ATOM 915 NZ LYS A 57 -0.115 20.021 -6.672 1.00 72.15 N ATOM 0 H LYS A 57 3.926 18.898 -3.873 1.00 40.25 H new ATOM 0 HA LYS A 57 2.463 21.056 -2.540 1.00 52.14 H new ATOM 0 HB2 LYS A 57 2.896 21.744 -4.970 1.00 34.43 H new ATOM 0 HB3 LYS A 57 1.975 20.338 -5.465 1.00 34.43 H new ATOM 0 HG2 LYS A 57 0.021 21.266 -4.097 1.00 73.04 H new ATOM 0 HG3 LYS A 57 0.955 22.735 -3.896 1.00 73.04 H new ATOM 0 HD2 LYS A 57 -0.207 23.345 -5.787 1.00 22.40 H new ATOM 0 HD3 LYS A 57 1.148 22.559 -6.573 1.00 22.40 H new ATOM 0 HE2 LYS A 57 -1.603 21.379 -6.032 1.00 52.53 H new ATOM 0 HE3 LYS A 57 -0.900 21.755 -7.592 1.00 52.53 H new ATOM 0 HZ1 LYS A 57 -0.688 19.458 -7.332 1.00 72.15 H new ATOM 0 HZ2 LYS A 57 0.867 20.059 -7.012 1.00 72.15 H new ATOM 0 HZ3 LYS A 57 -0.138 19.580 -5.730 1.00 72.15 H new ATOM 929 N ASN A 58 0.388 19.523 -2.434 1.00 13.15 N ATOM 930 CA ASN A 58 -0.681 18.536 -2.235 1.00 71.23 C ATOM 931 C ASN A 58 -1.232 18.049 -3.584 1.00 42.11 C ATOM 932 O ASN A 58 -1.307 18.813 -4.552 1.00 42.53 O ATOM 933 CB ASN A 58 -1.816 19.113 -1.376 1.00 14.41 C ATOM 934 CG ASN A 58 -1.476 19.147 0.104 1.00 33.35 C ATOM 935 OD1 ASN A 58 -0.775 18.279 0.616 1.00 64.23 O ATOM 936 ND2 ASN A 58 -1.972 20.143 0.803 1.00 2.54 N ATOM 0 H ASN A 58 0.201 20.439 -2.025 1.00 13.15 H new ATOM 0 HA ASN A 58 -0.251 17.685 -1.706 1.00 71.23 H new ATOM 0 HB2 ASN A 58 -2.044 20.124 -1.715 1.00 14.41 H new ATOM 0 HB3 ASN A 58 -2.716 18.517 -1.524 1.00 14.41 H new ATOM 0 HD21 ASN A 58 -1.778 20.211 1.802 1.00 2.54 H new ATOM 0 HD22 ASN A 58 -2.551 20.848 0.347 1.00 2.54 H new ATOM 943 N LEU A 59 -1.599 16.772 -3.644 1.00 3.14 N ATOM 944 CA LEU A 59 -2.064 16.151 -4.889 1.00 34.44 C ATOM 945 C LEU A 59 -3.571 16.369 -5.116 1.00 51.22 C ATOM 946 O LEU A 59 -3.970 17.160 -5.976 1.00 70.30 O ATOM 947 CB LEU A 59 -1.737 14.651 -4.874 1.00 15.51 C ATOM 948 CG LEU A 59 -0.258 14.312 -4.615 1.00 71.14 C ATOM 949 CD1 LEU A 59 -0.043 12.804 -4.615 1.00 53.13 C ATOM 950 CD2 LEU A 59 0.645 14.988 -5.646 1.00 11.02 C ATOM 0 H LEU A 59 -1.585 16.141 -2.843 1.00 3.14 H new ATOM 0 HA LEU A 59 -1.541 16.631 -5.717 1.00 34.44 H new ATOM 0 HB2 LEU A 59 -2.344 14.169 -4.108 1.00 15.51 H new ATOM 0 HB3 LEU A 59 -2.031 14.220 -5.831 1.00 15.51 H new ATOM 0 HG LEU A 59 0.009 14.695 -3.630 1.00 71.14 H new ATOM 0 HD11 LEU A 59 1.009 12.586 -4.430 1.00 53.13 H new ATOM 0 HD12 LEU A 59 -0.650 12.350 -3.832 1.00 53.13 H new ATOM 0 HD13 LEU A 59 -0.333 12.395 -5.583 1.00 53.13 H new ATOM 0 HD21 LEU A 59 1.685 14.733 -5.442 1.00 11.02 H new ATOM 0 HD22 LEU A 59 0.377 14.645 -6.645 1.00 11.02 H new ATOM 0 HD23 LEU A 59 0.518 16.069 -5.588 1.00 11.02 H new ATOM 962 N ARG A 60 -4.402 15.666 -4.342 1.00 44.11 N ATOM 963 CA ARG A 60 -5.865 15.760 -4.473 1.00 22.13 C ATOM 964 C ARG A 60 -6.563 15.066 -3.282 1.00 24.23 C ATOM 965 O ARG A 60 -5.918 14.380 -2.491 1.00 62.13 O ATOM 966 CB ARG A 60 -6.329 15.109 -5.795 1.00 50.40 C ATOM 967 CG ARG A 60 -7.694 15.595 -6.288 1.00 12.41 C ATOM 968 CD ARG A 60 -8.281 14.690 -7.370 1.00 13.42 C ATOM 969 NE ARG A 60 -7.361 14.458 -8.483 1.00 24.34 N ATOM 970 CZ ARG A 60 -7.560 14.868 -9.705 1.00 63.34 C ATOM 971 NH1 ARG A 60 -8.624 15.540 -10.009 1.00 31.41 N ATOM 972 NH2 ARG A 60 -6.703 14.580 -10.621 1.00 63.33 N ATOM 0 H ARG A 60 -4.089 15.023 -3.615 1.00 44.11 H new ATOM 0 HA ARG A 60 -6.138 16.815 -4.478 1.00 22.13 H new ATOM 0 HB2 ARG A 60 -5.585 15.308 -6.566 1.00 50.40 H new ATOM 0 HB3 ARG A 60 -6.367 14.028 -5.661 1.00 50.40 H new ATOM 0 HG2 ARG A 60 -8.384 15.644 -5.446 1.00 12.41 H new ATOM 0 HG3 ARG A 60 -7.596 16.608 -6.679 1.00 12.41 H new ATOM 0 HD2 ARG A 60 -8.554 13.733 -6.926 1.00 13.42 H new ATOM 0 HD3 ARG A 60 -9.199 15.138 -7.752 1.00 13.42 H new ATOM 0 HE ARG A 60 -6.504 13.939 -8.290 1.00 24.34 H new ATOM 0 HH11 ARG A 60 -9.315 15.753 -9.290 1.00 31.41 H new ATOM 0 HH12 ARG A 60 -8.771 15.856 -10.967 1.00 31.41 H new ATOM 0 HH21 ARG A 60 -5.873 14.034 -10.390 1.00 63.33 H new ATOM 0 HH22 ARG A 60 -6.854 14.898 -11.578 1.00 63.33 H new ATOM 986 N LYS A 61 -7.873 15.259 -3.146 1.00 20.52 N ATOM 987 CA LYS A 61 -8.666 14.542 -2.134 1.00 61.30 C ATOM 988 C LYS A 61 -9.366 13.309 -2.726 1.00 61.55 C ATOM 989 O LYS A 61 -9.897 13.362 -3.837 1.00 5.52 O ATOM 990 CB LYS A 61 -9.719 15.477 -1.512 1.00 62.51 C ATOM 991 CG LYS A 61 -9.160 16.517 -0.536 1.00 32.44 C ATOM 992 CD LYS A 61 -8.926 15.942 0.869 1.00 64.41 C ATOM 993 CE LYS A 61 -7.713 15.020 0.946 1.00 31.01 C ATOM 994 NZ LYS A 61 -6.453 15.735 0.618 1.00 30.44 N ATOM 0 H LYS A 61 -8.414 15.905 -3.721 1.00 20.52 H new ATOM 0 HA LYS A 61 -7.973 14.205 -1.363 1.00 61.30 H new ATOM 0 HB2 LYS A 61 -10.242 15.997 -2.315 1.00 62.51 H new ATOM 0 HB3 LYS A 61 -10.459 14.871 -0.990 1.00 62.51 H new ATOM 0 HG2 LYS A 61 -8.220 16.908 -0.926 1.00 32.44 H new ATOM 0 HG3 LYS A 61 -9.852 17.357 -0.470 1.00 32.44 H new ATOM 0 HD2 LYS A 61 -8.795 16.763 1.574 1.00 64.41 H new ATOM 0 HD3 LYS A 61 -9.813 15.392 1.182 1.00 64.41 H new ATOM 0 HE2 LYS A 61 -7.641 14.598 1.948 1.00 31.01 H new ATOM 0 HE3 LYS A 61 -7.847 14.186 0.258 1.00 31.01 H new ATOM 0 HZ1 LYS A 61 -6.058 15.355 -0.266 1.00 30.44 H new ATOM 0 HZ2 LYS A 61 -6.650 16.749 0.501 1.00 30.44 H new ATOM 0 HZ3 LYS A 61 -5.768 15.602 1.389 1.00 30.44 H new ATOM 1008 N GLU A 62 -9.320 12.188 -1.991 1.00 41.11 N ATOM 1009 CA GLU A 62 -10.107 10.981 -2.318 1.00 34.34 C ATOM 1010 C GLU A 62 -9.583 10.224 -3.563 1.00 62.31 C ATOM 1011 O GLU A 62 -9.858 9.034 -3.727 1.00 33.53 O ATOM 1012 CB GLU A 62 -11.588 11.357 -2.512 1.00 10.00 C ATOM 1013 CG GLU A 62 -12.516 10.176 -2.772 1.00 63.12 C ATOM 1014 CD GLU A 62 -13.958 10.608 -2.972 1.00 53.42 C ATOM 1015 OE1 GLU A 62 -14.700 10.702 -1.974 1.00 11.41 O ATOM 1016 OE2 GLU A 62 -14.352 10.870 -4.129 1.00 74.41 O ATOM 0 H GLU A 62 -8.741 12.089 -1.157 1.00 41.11 H new ATOM 0 HA GLU A 62 -9.999 10.300 -1.474 1.00 34.34 H new ATOM 0 HB2 GLU A 62 -11.934 11.885 -1.623 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.666 12.053 -3.347 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.175 9.637 -3.656 1.00 63.12 H new ATOM 0 HG3 GLU A 62 -12.460 9.482 -1.934 1.00 63.12 H new ATOM 1023 N ALA A 63 -8.829 10.905 -4.424 1.00 2.30 N ATOM 1024 CA ALA A 63 -8.321 10.297 -5.660 1.00 45.45 C ATOM 1025 C ALA A 63 -7.265 9.221 -5.384 1.00 30.34 C ATOM 1026 O ALA A 63 -6.694 9.151 -4.291 1.00 22.14 O ATOM 1027 CB ALA A 63 -7.746 11.373 -6.572 1.00 62.25 C ATOM 0 H ALA A 63 -8.554 11.878 -4.292 1.00 2.30 H new ATOM 0 HA ALA A 63 -9.161 9.809 -6.154 1.00 45.45 H new ATOM 0 HB1 ALA A 63 -7.371 10.913 -7.486 1.00 62.25 H new ATOM 0 HB2 ALA A 63 -8.525 12.093 -6.821 1.00 62.25 H new ATOM 0 HB3 ALA A 63 -6.929 11.884 -6.062 1.00 62.25 H new ATOM 1033 N PHE A 64 -7.005 8.391 -6.389 1.00 60.31 N ATOM 1034 CA PHE A 64 -6.088 7.262 -6.243 1.00 21.12 C ATOM 1035 C PHE A 64 -4.701 7.579 -6.814 1.00 10.41 C ATOM 1036 O PHE A 64 -4.521 8.539 -7.566 1.00 31.13 O ATOM 1037 CB PHE A 64 -6.679 6.015 -6.917 1.00 4.40 C ATOM 1038 CG PHE A 64 -7.940 5.517 -6.253 1.00 52.02 C ATOM 1039 CD1 PHE A 64 -9.171 6.092 -6.542 1.00 45.00 C ATOM 1040 CD2 PHE A 64 -7.894 4.476 -5.335 1.00 23.25 C ATOM 1041 CE1 PHE A 64 -10.324 5.638 -5.933 1.00 62.21 C ATOM 1042 CE2 PHE A 64 -9.046 4.018 -4.726 1.00 25.42 C ATOM 1043 CZ PHE A 64 -10.261 4.600 -5.025 1.00 44.54 C ATOM 0 H PHE A 64 -7.418 8.478 -7.318 1.00 60.31 H new ATOM 0 HA PHE A 64 -5.962 7.067 -5.178 1.00 21.12 H new ATOM 0 HB2 PHE A 64 -6.892 6.242 -7.962 1.00 4.40 H new ATOM 0 HB3 PHE A 64 -5.934 5.219 -6.909 1.00 4.40 H new ATOM 0 HD1 PHE A 64 -9.227 6.904 -7.252 1.00 45.00 H new ATOM 0 HD2 PHE A 64 -6.946 4.019 -5.094 1.00 23.25 H new ATOM 0 HE1 PHE A 64 -11.274 6.095 -6.167 1.00 62.21 H new ATOM 0 HE2 PHE A 64 -8.996 3.205 -4.017 1.00 25.42 H new ATOM 0 HZ PHE A 64 -11.162 4.244 -4.549 1.00 44.54 H new ATOM 1053 N LEU A 65 -3.719 6.761 -6.459 1.00 14.33 N ATOM 1054 CA LEU A 65 -2.336 7.003 -6.858 1.00 4.30 C ATOM 1055 C LEU A 65 -1.632 5.681 -7.217 1.00 11.20 C ATOM 1056 O LEU A 65 -1.507 4.778 -6.386 1.00 51.13 O ATOM 1057 CB LEU A 65 -1.596 7.730 -5.718 1.00 14.13 C ATOM 1058 CG LEU A 65 -0.421 8.636 -6.132 1.00 72.13 C ATOM 1059 CD1 LEU A 65 0.183 9.317 -4.909 1.00 2.02 C ATOM 1060 CD2 LEU A 65 0.646 7.851 -6.883 1.00 72.34 C ATOM 0 H LEU A 65 -3.853 5.922 -5.894 1.00 14.33 H new ATOM 0 HA LEU A 65 -2.324 7.633 -7.747 1.00 4.30 H new ATOM 0 HB2 LEU A 65 -2.320 8.337 -5.173 1.00 14.13 H new ATOM 0 HB3 LEU A 65 -1.220 6.980 -5.022 1.00 14.13 H new ATOM 0 HG LEU A 65 -0.810 9.401 -6.804 1.00 72.13 H new ATOM 0 HD11 LEU A 65 1.012 9.953 -5.219 1.00 2.02 H new ATOM 0 HD12 LEU A 65 -0.577 9.925 -4.418 1.00 2.02 H new ATOM 0 HD13 LEU A 65 0.547 8.560 -4.214 1.00 2.02 H new ATOM 0 HD21 LEU A 65 1.461 8.519 -7.161 1.00 72.34 H new ATOM 0 HD22 LEU A 65 1.030 7.056 -6.244 1.00 72.34 H new ATOM 0 HD23 LEU A 65 0.211 7.415 -7.783 1.00 72.34 H new ATOM 1072 N ARG A 66 -1.188 5.582 -8.464 1.00 2.31 N ATOM 1073 CA ARG A 66 -0.454 4.413 -8.949 1.00 41.05 C ATOM 1074 C ARG A 66 1.038 4.507 -8.578 1.00 60.32 C ATOM 1075 O ARG A 66 1.827 5.155 -9.270 1.00 40.12 O ATOM 1076 CB ARG A 66 -0.633 4.300 -10.469 1.00 52.12 C ATOM 1077 CG ARG A 66 0.049 3.092 -11.105 1.00 42.42 C ATOM 1078 CD ARG A 66 -0.255 3.011 -12.597 1.00 54.43 C ATOM 1079 NE ARG A 66 0.378 1.858 -13.232 1.00 25.42 N ATOM 1080 CZ ARG A 66 -0.154 1.167 -14.203 1.00 50.30 C ATOM 1081 NH1 ARG A 66 -1.348 1.427 -14.630 1.00 2.32 N ATOM 1082 NH2 ARG A 66 0.500 0.189 -14.727 1.00 45.44 N ATOM 0 H ARG A 66 -1.325 6.307 -9.169 1.00 2.31 H new ATOM 0 HA ARG A 66 -0.853 3.517 -8.473 1.00 41.05 H new ATOM 0 HB2 ARG A 66 -1.699 4.258 -10.693 1.00 52.12 H new ATOM 0 HB3 ARG A 66 -0.245 5.206 -10.935 1.00 52.12 H new ATOM 0 HG2 ARG A 66 1.126 3.157 -10.954 1.00 42.42 H new ATOM 0 HG3 ARG A 66 -0.287 2.180 -10.612 1.00 42.42 H new ATOM 0 HD2 ARG A 66 -1.334 2.956 -12.743 1.00 54.43 H new ATOM 0 HD3 ARG A 66 0.086 3.924 -13.085 1.00 54.43 H new ATOM 0 HE ARG A 66 1.297 1.574 -12.894 1.00 25.42 H new ATOM 0 HH11 ARG A 66 -1.888 2.182 -14.207 1.00 2.32 H new ATOM 0 HH12 ARG A 66 -1.749 0.877 -15.390 1.00 2.32 H new ATOM 0 HH21 ARG A 66 1.432 -0.044 -14.383 1.00 45.44 H new ATOM 0 HH22 ARG A 66 0.086 -0.353 -15.486 1.00 45.44 H new ATOM 1096 N VAL A 67 1.406 3.877 -7.467 1.00 64.44 N ATOM 1097 CA VAL A 67 2.786 3.926 -6.960 1.00 52.24 C ATOM 1098 C VAL A 67 3.612 2.718 -7.408 1.00 32.52 C ATOM 1099 O VAL A 67 3.124 1.588 -7.478 1.00 54.22 O ATOM 1100 CB VAL A 67 2.821 4.026 -5.410 1.00 12.32 C ATOM 1101 CG1 VAL A 67 2.224 5.349 -4.933 1.00 40.41 C ATOM 1102 CG2 VAL A 67 2.094 2.846 -4.771 1.00 45.02 C ATOM 0 H VAL A 67 0.770 3.323 -6.894 1.00 64.44 H new ATOM 0 HA VAL A 67 3.231 4.825 -7.387 1.00 52.24 H new ATOM 0 HB VAL A 67 3.865 3.993 -5.097 1.00 12.32 H new ATOM 0 HG11 VAL A 67 2.261 5.393 -3.845 1.00 40.41 H new ATOM 0 HG12 VAL A 67 2.797 6.178 -5.349 1.00 40.41 H new ATOM 0 HG13 VAL A 67 1.188 5.421 -5.264 1.00 40.41 H new ATOM 0 HG21 VAL A 67 2.133 2.939 -3.686 1.00 45.02 H new ATOM 0 HG22 VAL A 67 1.054 2.839 -5.098 1.00 45.02 H new ATOM 0 HG23 VAL A 67 2.575 1.916 -5.073 1.00 45.02 H new ATOM 1112 N TYR A 68 4.878 2.982 -7.696 1.00 23.14 N ATOM 1113 CA TYR A 68 5.807 1.978 -8.197 1.00 1.24 C ATOM 1114 C TYR A 68 6.748 1.468 -7.089 1.00 3.01 C ATOM 1115 O TYR A 68 7.572 2.221 -6.556 1.00 34.03 O ATOM 1116 CB TYR A 68 6.612 2.594 -9.345 1.00 65.52 C ATOM 1117 CG TYR A 68 7.735 1.725 -9.841 1.00 2.03 C ATOM 1118 CD1 TYR A 68 7.469 0.560 -10.539 1.00 4.10 C ATOM 1119 CD2 TYR A 68 9.056 2.071 -9.606 1.00 30.05 C ATOM 1120 CE1 TYR A 68 8.494 -0.244 -10.995 1.00 23.11 C ATOM 1121 CE2 TYR A 68 10.090 1.277 -10.058 1.00 4.34 C ATOM 1122 CZ TYR A 68 9.804 0.119 -10.750 1.00 32.01 C ATOM 1123 OH TYR A 68 10.830 -0.675 -11.212 1.00 34.51 O ATOM 0 H TYR A 68 5.294 3.907 -7.588 1.00 23.14 H new ATOM 0 HA TYR A 68 5.242 1.116 -8.552 1.00 1.24 H new ATOM 0 HB2 TYR A 68 5.938 2.807 -10.174 1.00 65.52 H new ATOM 0 HB3 TYR A 68 7.023 3.548 -9.016 1.00 65.52 H new ATOM 0 HD1 TYR A 68 6.445 0.276 -10.730 1.00 4.10 H new ATOM 0 HD2 TYR A 68 9.280 2.976 -9.061 1.00 30.05 H new ATOM 0 HE1 TYR A 68 8.273 -1.150 -11.539 1.00 23.11 H new ATOM 0 HE2 TYR A 68 11.115 1.560 -9.871 1.00 4.34 H new ATOM 0 HH TYR A 68 11.481 -0.122 -11.693 1.00 34.51 H new ATOM 1133 N HIS A 69 6.627 0.184 -6.749 1.00 21.14 N ATOM 1134 CA HIS A 69 7.481 -0.432 -5.725 1.00 0.42 C ATOM 1135 C HIS A 69 8.825 -0.887 -6.319 1.00 33.24 C ATOM 1136 O HIS A 69 8.891 -1.880 -7.045 1.00 52.21 O ATOM 1137 CB HIS A 69 6.754 -1.621 -5.077 1.00 52.21 C ATOM 1138 CG HIS A 69 7.580 -2.377 -4.079 1.00 23.00 C ATOM 1139 ND1 HIS A 69 7.872 -3.714 -4.209 1.00 14.42 N ATOM 1140 CD2 HIS A 69 8.172 -1.980 -2.924 1.00 50.24 C ATOM 1141 CE1 HIS A 69 8.602 -4.109 -3.190 1.00 53.21 C ATOM 1142 NE2 HIS A 69 8.804 -3.081 -2.391 1.00 50.14 N ATOM 0 H HIS A 69 5.947 -0.452 -7.166 1.00 21.14 H new ATOM 0 HA HIS A 69 7.689 0.318 -4.962 1.00 0.42 H new ATOM 0 HB2 HIS A 69 5.853 -1.256 -4.584 1.00 52.21 H new ATOM 0 HB3 HIS A 69 6.433 -2.307 -5.861 1.00 52.21 H new ATOM 0 HD2 HIS A 69 8.151 -0.986 -2.502 1.00 50.24 H new ATOM 0 HE1 HIS A 69 8.975 -5.111 -3.033 1.00 53.21 H new ATOM 0 HE2 HIS A 69 9.339 -3.098 -1.523 1.00 50.14 H new ATOM 1151 N SER A 70 9.892 -0.153 -6.002 1.00 24.23 N ATOM 1152 CA SER A 70 11.238 -0.460 -6.516 1.00 13.24 C ATOM 1153 C SER A 70 11.975 -1.460 -5.613 1.00 32.31 C ATOM 1154 O SER A 70 11.374 -2.091 -4.743 1.00 14.30 O ATOM 1155 CB SER A 70 12.065 0.827 -6.620 1.00 42.45 C ATOM 1156 OG SER A 70 12.335 1.358 -5.332 1.00 0.13 O ATOM 0 H SER A 70 9.855 0.662 -5.390 1.00 24.23 H new ATOM 0 HA SER A 70 11.118 -0.910 -7.502 1.00 13.24 H new ATOM 0 HB2 SER A 70 13.002 0.622 -7.137 1.00 42.45 H new ATOM 0 HB3 SER A 70 11.526 1.563 -7.216 1.00 42.45 H new ATOM 0 HG SER A 70 12.307 2.337 -5.369 1.00 0.13 H new ATOM 1162 N ASP A 71 13.282 -1.603 -5.831 1.00 5.25 N ATOM 1163 CA ASP A 71 14.121 -2.496 -5.025 1.00 41.13 C ATOM 1164 C ASP A 71 14.491 -1.865 -3.671 1.00 0.23 C ATOM 1165 O ASP A 71 15.011 -2.536 -2.779 1.00 40.12 O ATOM 1166 CB ASP A 71 15.399 -2.832 -5.802 1.00 21.22 C ATOM 1167 CG ASP A 71 16.263 -1.602 -6.063 1.00 73.33 C ATOM 1168 OD1 ASP A 71 15.900 -0.781 -6.929 1.00 23.24 O ATOM 1169 OD2 ASP A 71 17.310 -1.445 -5.403 1.00 52.43 O ATOM 0 H ASP A 71 13.788 -1.108 -6.565 1.00 5.25 H new ATOM 0 HA ASP A 71 13.551 -3.403 -4.825 1.00 41.13 H new ATOM 0 HB2 ASP A 71 15.978 -3.567 -5.243 1.00 21.22 H new ATOM 0 HB3 ASP A 71 15.132 -3.293 -6.753 1.00 21.22 H new ATOM 1174 N LYS A 72 14.212 -0.574 -3.525 1.00 64.41 N ATOM 1175 CA LYS A 72 14.669 0.202 -2.366 1.00 24.14 C ATOM 1176 C LYS A 72 13.550 0.386 -1.326 1.00 63.02 C ATOM 1177 O LYS A 72 13.594 1.305 -0.506 1.00 34.33 O ATOM 1178 CB LYS A 72 15.180 1.561 -2.862 1.00 63.35 C ATOM 1179 CG LYS A 72 15.961 1.446 -4.168 1.00 43.23 C ATOM 1180 CD LYS A 72 16.543 2.773 -4.635 1.00 54.24 C ATOM 1181 CE LYS A 72 17.035 2.680 -6.074 1.00 4.43 C ATOM 1182 NZ LYS A 72 17.907 1.493 -6.300 1.00 22.33 N ATOM 0 H LYS A 72 13.667 -0.035 -4.198 1.00 64.41 H new ATOM 0 HA LYS A 72 15.473 -0.341 -1.868 1.00 24.14 H new ATOM 0 HB2 LYS A 72 14.335 2.234 -3.005 1.00 63.35 H new ATOM 0 HB3 LYS A 72 15.817 2.007 -2.099 1.00 63.35 H new ATOM 0 HG2 LYS A 72 16.770 0.727 -4.038 1.00 43.23 H new ATOM 0 HG3 LYS A 72 15.305 1.051 -4.943 1.00 43.23 H new ATOM 0 HD2 LYS A 72 15.786 3.553 -4.556 1.00 54.24 H new ATOM 0 HD3 LYS A 72 17.368 3.061 -3.983 1.00 54.24 H new ATOM 0 HE2 LYS A 72 16.178 2.631 -6.746 1.00 4.43 H new ATOM 0 HE3 LYS A 72 17.586 3.586 -6.326 1.00 4.43 H new ATOM 0 HZ1 LYS A 72 18.628 1.723 -7.013 1.00 22.33 H new ATOM 0 HZ2 LYS A 72 18.373 1.230 -5.408 1.00 22.33 H new ATOM 0 HZ3 LYS A 72 17.329 0.697 -6.637 1.00 22.33 H new ATOM 1196 N LYS A 73 12.568 -0.519 -1.354 1.00 32.32 N ATOM 1197 CA LYS A 73 11.411 -0.484 -0.443 1.00 52.42 C ATOM 1198 C LYS A 73 10.577 0.802 -0.584 1.00 41.25 C ATOM 1199 O LYS A 73 10.936 1.727 -1.313 1.00 10.52 O ATOM 1200 CB LYS A 73 11.839 -0.688 1.023 1.00 1.12 C ATOM 1201 CG LYS A 73 12.175 -2.140 1.385 1.00 73.21 C ATOM 1202 CD LYS A 73 13.464 -2.636 0.727 1.00 15.15 C ATOM 1203 CE LYS A 73 14.687 -1.882 1.238 1.00 20.10 C ATOM 1204 NZ LYS A 73 14.845 -2.012 2.710 1.00 24.23 N ATOM 0 H LYS A 73 12.549 -1.300 -2.009 1.00 32.32 H new ATOM 0 HA LYS A 73 10.772 -1.316 -0.739 1.00 52.42 H new ATOM 0 HB2 LYS A 73 12.710 -0.064 1.225 1.00 1.12 H new ATOM 0 HB3 LYS A 73 11.038 -0.339 1.675 1.00 1.12 H new ATOM 0 HG2 LYS A 73 12.269 -2.226 2.467 1.00 73.21 H new ATOM 0 HG3 LYS A 73 11.349 -2.784 1.085 1.00 73.21 H new ATOM 0 HD2 LYS A 73 13.586 -3.701 0.923 1.00 15.15 H new ATOM 0 HD3 LYS A 73 13.389 -2.517 -0.354 1.00 15.15 H new ATOM 0 HE2 LYS A 73 15.580 -2.262 0.742 1.00 20.10 H new ATOM 0 HE3 LYS A 73 14.600 -0.828 0.974 1.00 20.10 H new ATOM 0 HZ1 LYS A 73 15.802 -1.712 2.984 1.00 24.23 H new ATOM 0 HZ2 LYS A 73 14.143 -1.412 3.189 1.00 24.23 H new ATOM 0 HZ3 LYS A 73 14.700 -3.004 2.988 1.00 24.23 H new ATOM 1218 N GLY A 74 9.448 0.829 0.123 1.00 10.43 N ATOM 1219 CA GLY A 74 8.506 1.940 0.041 1.00 3.43 C ATOM 1220 C GLY A 74 8.030 2.237 -1.381 1.00 35.23 C ATOM 1221 O GLY A 74 7.031 1.682 -1.829 1.00 12.11 O ATOM 0 H GLY A 74 9.164 0.087 0.763 1.00 10.43 H new ATOM 0 HA2 GLY A 74 7.641 1.718 0.666 1.00 3.43 H new ATOM 0 HA3 GLY A 74 8.975 2.834 0.452 1.00 3.43 H new ATOM 1225 N VAL A 75 8.791 3.048 -2.114 1.00 23.53 N ATOM 1226 CA VAL A 75 8.384 3.512 -3.448 1.00 21.23 C ATOM 1227 C VAL A 75 9.457 4.437 -4.054 1.00 34.30 C ATOM 1228 O VAL A 75 10.367 4.887 -3.357 1.00 72.25 O ATOM 1229 CB VAL A 75 7.022 4.269 -3.386 1.00 24.22 C ATOM 1230 CG1 VAL A 75 7.145 5.557 -2.576 1.00 73.13 C ATOM 1231 CG2 VAL A 75 6.470 4.560 -4.781 1.00 54.11 C ATOM 0 H VAL A 75 9.698 3.401 -1.808 1.00 23.53 H new ATOM 0 HA VAL A 75 8.270 2.632 -4.081 1.00 21.23 H new ATOM 0 HB VAL A 75 6.313 3.613 -2.881 1.00 24.22 H new ATOM 0 HG11 VAL A 75 6.180 6.064 -2.550 1.00 73.13 H new ATOM 0 HG12 VAL A 75 7.458 5.319 -1.559 1.00 73.13 H new ATOM 0 HG13 VAL A 75 7.885 6.209 -3.040 1.00 73.13 H new ATOM 0 HG21 VAL A 75 5.521 5.088 -4.694 1.00 54.11 H new ATOM 0 HG22 VAL A 75 7.180 5.178 -5.332 1.00 54.11 H new ATOM 0 HG23 VAL A 75 6.316 3.622 -5.314 1.00 54.11 H new ATOM 1241 N SER A 76 9.365 4.700 -5.356 1.00 24.15 N ATOM 1242 CA SER A 76 10.264 5.661 -6.014 1.00 71.20 C ATOM 1243 C SER A 76 9.493 6.541 -7.002 1.00 23.25 C ATOM 1244 O SER A 76 9.488 7.767 -6.886 1.00 2.33 O ATOM 1245 CB SER A 76 11.403 4.929 -6.734 1.00 3.04 C ATOM 1246 OG SER A 76 12.167 4.155 -5.819 1.00 41.53 O ATOM 0 H SER A 76 8.683 4.267 -5.978 1.00 24.15 H new ATOM 0 HA SER A 76 10.693 6.302 -5.244 1.00 71.20 H new ATOM 0 HB2 SER A 76 10.992 4.282 -7.509 1.00 3.04 H new ATOM 0 HB3 SER A 76 12.048 5.653 -7.232 1.00 3.04 H new ATOM 0 HG SER A 76 11.868 4.341 -4.904 1.00 41.53 H new ATOM 1252 N ALA A 77 8.830 5.905 -7.965 1.00 62.32 N ATOM 1253 CA ALA A 77 8.004 6.618 -8.948 1.00 31.10 C ATOM 1254 C ALA A 77 6.512 6.522 -8.591 1.00 24.54 C ATOM 1255 O ALA A 77 6.071 5.541 -7.987 1.00 64.03 O ATOM 1256 CB ALA A 77 8.253 6.054 -10.342 1.00 25.44 C ATOM 0 H ALA A 77 8.846 4.893 -8.089 1.00 62.32 H new ATOM 0 HA ALA A 77 8.285 7.671 -8.933 1.00 31.10 H new ATOM 0 HB1 ALA A 77 7.637 6.588 -11.066 1.00 25.44 H new ATOM 0 HB2 ALA A 77 9.305 6.175 -10.601 1.00 25.44 H new ATOM 0 HB3 ALA A 77 7.996 4.995 -10.357 1.00 25.44 H new ATOM 1262 N TRP A 78 5.733 7.540 -8.965 1.00 21.12 N ATOM 1263 CA TRP A 78 4.299 7.566 -8.653 1.00 52.35 C ATOM 1264 C TRP A 78 3.493 8.384 -9.679 1.00 50.22 C ATOM 1265 O TRP A 78 3.978 9.376 -10.228 1.00 72.15 O ATOM 1266 CB TRP A 78 4.071 8.116 -7.232 1.00 72.51 C ATOM 1267 CG TRP A 78 4.615 9.502 -6.999 1.00 65.34 C ATOM 1268 CD1 TRP A 78 5.852 9.826 -6.521 1.00 21.31 C ATOM 1269 CD2 TRP A 78 3.932 10.747 -7.214 1.00 50.41 C ATOM 1270 NE1 TRP A 78 5.983 11.191 -6.439 1.00 51.24 N ATOM 1271 CE2 TRP A 78 4.822 11.777 -6.858 1.00 73.13 C ATOM 1272 CE3 TRP A 78 2.659 11.091 -7.682 1.00 11.42 C ATOM 1273 CZ2 TRP A 78 4.482 13.124 -6.949 1.00 24.42 C ATOM 1274 CZ3 TRP A 78 2.322 12.429 -7.773 1.00 20.11 C ATOM 1275 CH2 TRP A 78 3.232 13.431 -7.409 1.00 1.22 C ATOM 0 H TRP A 78 6.067 8.354 -9.481 1.00 21.12 H new ATOM 0 HA TRP A 78 3.938 6.539 -8.704 1.00 52.35 H new ATOM 0 HB2 TRP A 78 3.001 8.121 -7.026 1.00 72.51 H new ATOM 0 HB3 TRP A 78 4.530 7.435 -6.515 1.00 72.51 H new ATOM 0 HD1 TRP A 78 6.616 9.113 -6.247 1.00 21.31 H new ATOM 0 HE1 TRP A 78 6.814 11.687 -6.117 1.00 51.24 H new ATOM 0 HE3 TRP A 78 1.953 10.325 -7.967 1.00 11.42 H new ATOM 0 HZ2 TRP A 78 5.180 13.898 -6.667 1.00 24.42 H new ATOM 0 HZ3 TRP A 78 1.341 12.707 -8.130 1.00 20.11 H new ATOM 0 HH2 TRP A 78 2.939 14.467 -7.494 1.00 1.22 H new ATOM 1286 N GLU A 79 2.259 7.948 -9.942 1.00 20.44 N ATOM 1287 CA GLU A 79 1.347 8.664 -10.850 1.00 71.21 C ATOM 1288 C GLU A 79 -0.035 8.843 -10.204 1.00 33.34 C ATOM 1289 O GLU A 79 -0.629 7.883 -9.718 1.00 53.04 O ATOM 1290 CB GLU A 79 1.174 7.893 -12.164 1.00 53.11 C ATOM 1291 CG GLU A 79 2.481 7.425 -12.805 1.00 1.42 C ATOM 1292 CD GLU A 79 2.250 6.532 -14.017 1.00 1.02 C ATOM 1293 OE1 GLU A 79 1.945 5.335 -13.827 1.00 21.12 O ATOM 1294 OE2 GLU A 79 2.377 7.018 -15.162 1.00 44.51 O ATOM 0 H GLU A 79 1.863 7.099 -9.539 1.00 20.44 H new ATOM 0 HA GLU A 79 1.787 9.641 -11.052 1.00 71.21 H new ATOM 0 HB2 GLU A 79 0.544 7.023 -11.979 1.00 53.11 H new ATOM 0 HB3 GLU A 79 0.643 8.527 -12.874 1.00 53.11 H new ATOM 0 HG2 GLU A 79 3.066 8.294 -13.105 1.00 1.42 H new ATOM 0 HG3 GLU A 79 3.071 6.883 -12.066 1.00 1.42 H new ATOM 1301 N GLU A 80 -0.554 10.059 -10.226 1.00 64.42 N ATOM 1302 CA GLU A 80 -1.871 10.351 -9.640 1.00 71.10 C ATOM 1303 C GLU A 80 -2.983 10.018 -10.648 1.00 12.23 C ATOM 1304 O GLU A 80 -3.061 10.616 -11.725 1.00 61.23 O ATOM 1305 CB GLU A 80 -1.929 11.827 -9.198 1.00 51.03 C ATOM 1306 CG GLU A 80 -3.196 12.227 -8.428 1.00 31.11 C ATOM 1307 CD GLU A 80 -4.240 12.923 -9.294 1.00 50.32 C ATOM 1308 OE1 GLU A 80 -3.905 13.947 -9.929 1.00 41.15 O ATOM 1309 OE2 GLU A 80 -5.394 12.464 -9.348 1.00 21.01 O ATOM 0 H GLU A 80 -0.091 10.867 -10.641 1.00 64.42 H new ATOM 0 HA GLU A 80 -2.025 9.728 -8.759 1.00 71.10 H new ATOM 0 HB2 GLU A 80 -1.061 12.037 -8.573 1.00 51.03 H new ATOM 0 HB3 GLU A 80 -1.845 12.459 -10.082 1.00 51.03 H new ATOM 0 HG2 GLU A 80 -3.639 11.335 -7.985 1.00 31.11 H new ATOM 0 HG3 GLU A 80 -2.919 12.887 -7.606 1.00 31.11 H new ATOM 1316 N VAL A 81 -3.835 9.052 -10.304 1.00 53.15 N ATOM 1317 CA VAL A 81 -4.826 8.524 -11.249 1.00 64.34 C ATOM 1318 C VAL A 81 -6.269 8.824 -10.818 1.00 1.43 C ATOM 1319 O VAL A 81 -6.591 8.862 -9.629 1.00 65.31 O ATOM 1320 CB VAL A 81 -4.656 6.995 -11.453 1.00 25.31 C ATOM 1321 CG1 VAL A 81 -3.285 6.678 -12.050 1.00 44.33 C ATOM 1322 CG2 VAL A 81 -4.865 6.236 -10.141 1.00 54.13 C ATOM 0 H VAL A 81 -3.861 8.619 -9.381 1.00 53.15 H new ATOM 0 HA VAL A 81 -4.642 9.036 -12.193 1.00 64.34 H new ATOM 0 HB VAL A 81 -5.420 6.664 -12.156 1.00 25.31 H new ATOM 0 HG11 VAL A 81 -3.187 5.601 -12.185 1.00 44.33 H new ATOM 0 HG12 VAL A 81 -3.185 7.175 -13.015 1.00 44.33 H new ATOM 0 HG13 VAL A 81 -2.504 7.032 -11.377 1.00 44.33 H new ATOM 0 HG21 VAL A 81 -4.740 5.167 -10.315 1.00 54.13 H new ATOM 0 HG22 VAL A 81 -4.134 6.572 -9.406 1.00 54.13 H new ATOM 0 HG23 VAL A 81 -5.871 6.427 -9.766 1.00 54.13 H new ATOM 1332 N LYS A 82 -7.139 9.020 -11.807 1.00 61.34 N ATOM 1333 CA LYS A 82 -8.541 9.364 -11.557 1.00 11.42 C ATOM 1334 C LYS A 82 -9.372 8.138 -11.154 1.00 23.24 C ATOM 1335 O LYS A 82 -9.223 7.052 -11.716 1.00 11.53 O ATOM 1336 CB LYS A 82 -9.159 10.004 -12.806 1.00 21.23 C ATOM 1337 CG LYS A 82 -8.354 11.176 -13.364 1.00 74.50 C ATOM 1338 CD LYS A 82 -8.269 12.336 -12.374 1.00 73.41 C ATOM 1339 CE LYS A 82 -9.637 12.958 -12.106 1.00 54.52 C ATOM 1340 NZ LYS A 82 -10.196 13.607 -13.321 1.00 74.12 N ATOM 0 H LYS A 82 -6.897 8.946 -12.795 1.00 61.34 H new ATOM 0 HA LYS A 82 -8.555 10.071 -10.728 1.00 11.42 H new ATOM 0 HB2 LYS A 82 -9.259 9.243 -13.580 1.00 21.23 H new ATOM 0 HB3 LYS A 82 -10.165 10.349 -12.566 1.00 21.23 H new ATOM 0 HG2 LYS A 82 -7.348 10.838 -13.614 1.00 74.50 H new ATOM 0 HG3 LYS A 82 -8.813 11.523 -14.290 1.00 74.50 H new ATOM 0 HD2 LYS A 82 -7.841 11.982 -11.436 1.00 73.41 H new ATOM 0 HD3 LYS A 82 -7.594 13.098 -12.765 1.00 73.41 H new ATOM 0 HE2 LYS A 82 -10.324 12.188 -11.757 1.00 54.52 H new ATOM 0 HE3 LYS A 82 -9.551 13.695 -11.307 1.00 54.52 H new ATOM 0 HZ1 LYS A 82 -11.028 14.174 -13.060 1.00 74.12 H new ATOM 0 HZ2 LYS A 82 -9.476 14.225 -13.747 1.00 74.12 H new ATOM 0 HZ3 LYS A 82 -10.476 12.877 -14.007 1.00 74.12 H new ATOM 1354 N LYS A 83 -10.270 8.335 -10.195 1.00 54.05 N ATOM 1355 CA LYS A 83 -11.175 7.269 -9.739 1.00 3.43 C ATOM 1356 C LYS A 83 -12.119 6.815 -10.867 1.00 45.44 C ATOM 1357 O LYS A 83 -12.714 5.739 -10.807 1.00 61.43 O ATOM 1358 CB LYS A 83 -12.003 7.733 -8.521 1.00 71.04 C ATOM 1359 CG LYS A 83 -13.065 8.804 -8.818 1.00 55.33 C ATOM 1360 CD LYS A 83 -12.458 10.171 -9.135 1.00 4.11 C ATOM 1361 CE LYS A 83 -13.530 11.250 -9.289 1.00 1.32 C ATOM 1362 NZ LYS A 83 -14.458 10.976 -10.421 1.00 2.44 N ATOM 0 H LYS A 83 -10.396 9.225 -9.712 1.00 54.05 H new ATOM 0 HA LYS A 83 -10.555 6.422 -9.444 1.00 3.43 H new ATOM 0 HB2 LYS A 83 -12.498 6.864 -8.087 1.00 71.04 H new ATOM 0 HB3 LYS A 83 -11.320 8.122 -7.765 1.00 71.04 H new ATOM 0 HG2 LYS A 83 -13.676 8.479 -9.660 1.00 55.33 H new ATOM 0 HG3 LYS A 83 -13.730 8.897 -7.959 1.00 55.33 H new ATOM 0 HD2 LYS A 83 -11.769 10.455 -8.340 1.00 4.11 H new ATOM 0 HD3 LYS A 83 -11.875 10.105 -10.054 1.00 4.11 H new ATOM 0 HE2 LYS A 83 -14.102 11.323 -8.364 1.00 1.32 H new ATOM 0 HE3 LYS A 83 -13.049 12.216 -9.444 1.00 1.32 H new ATOM 0 HZ1 LYS A 83 -15.260 11.637 -10.380 1.00 2.44 H new ATOM 0 HZ2 LYS A 83 -13.953 11.099 -11.322 1.00 2.44 H new ATOM 0 HZ3 LYS A 83 -14.810 10.000 -10.353 1.00 2.44 H new ATOM 1376 N ASP A 84 -12.235 7.647 -11.897 1.00 64.31 N ATOM 1377 CA ASP A 84 -13.137 7.400 -13.026 1.00 10.01 C ATOM 1378 C ASP A 84 -12.750 6.150 -13.835 1.00 61.11 C ATOM 1379 O ASP A 84 -13.605 5.501 -14.441 1.00 52.24 O ATOM 1380 CB ASP A 84 -13.136 8.628 -13.936 1.00 4.34 C ATOM 1381 CG ASP A 84 -13.450 9.891 -13.159 1.00 55.12 C ATOM 1382 OD1 ASP A 84 -12.541 10.430 -12.491 1.00 22.11 O ATOM 1383 OD2 ASP A 84 -14.614 10.334 -13.173 1.00 53.11 O ATOM 0 H ASP A 84 -11.706 8.516 -11.976 1.00 64.31 H new ATOM 0 HA ASP A 84 -14.133 7.217 -12.623 1.00 10.01 H new ATOM 0 HB2 ASP A 84 -12.162 8.727 -14.416 1.00 4.34 H new ATOM 0 HB3 ASP A 84 -13.871 8.495 -14.730 1.00 4.34 H new ATOM 1388 N GLU A 85 -11.464 5.814 -13.831 1.00 12.21 N ATOM 1389 CA GLU A 85 -10.952 4.695 -14.630 1.00 74.24 C ATOM 1390 C GLU A 85 -11.045 3.350 -13.888 1.00 35.13 C ATOM 1391 O GLU A 85 -10.763 2.298 -14.460 1.00 21.13 O ATOM 1392 CB GLU A 85 -9.497 4.973 -15.035 1.00 25.02 C ATOM 1393 CG GLU A 85 -9.327 6.233 -15.883 1.00 24.12 C ATOM 1394 CD GLU A 85 -10.107 6.168 -17.188 1.00 14.32 C ATOM 1395 OE1 GLU A 85 -9.689 5.420 -18.099 1.00 53.12 O ATOM 1396 OE2 GLU A 85 -11.146 6.851 -17.312 1.00 54.55 O ATOM 0 H GLU A 85 -10.753 6.299 -13.284 1.00 12.21 H new ATOM 0 HA GLU A 85 -11.578 4.614 -15.518 1.00 74.24 H new ATOM 0 HB2 GLU A 85 -8.890 5.067 -14.135 1.00 25.02 H new ATOM 0 HB3 GLU A 85 -9.114 4.117 -15.590 1.00 25.02 H new ATOM 0 HG2 GLU A 85 -9.656 7.100 -15.310 1.00 24.12 H new ATOM 0 HG3 GLU A 85 -8.269 6.379 -16.103 1.00 24.12 H new ATOM 1403 N LEU A 86 -11.440 3.382 -12.616 1.00 12.40 N ATOM 1404 CA LEU A 86 -11.566 2.156 -11.819 1.00 74.00 C ATOM 1405 C LEU A 86 -12.980 1.553 -11.922 1.00 12.34 C ATOM 1406 O LEU A 86 -13.972 2.218 -11.611 1.00 31.34 O ATOM 1407 CB LEU A 86 -11.221 2.435 -10.350 1.00 13.54 C ATOM 1408 CG LEU A 86 -9.776 2.901 -10.088 1.00 50.21 C ATOM 1409 CD1 LEU A 86 -9.537 3.110 -8.596 1.00 64.55 C ATOM 1410 CD2 LEU A 86 -8.770 1.902 -10.666 1.00 31.15 C ATOM 0 H LEU A 86 -11.678 4.238 -12.114 1.00 12.40 H new ATOM 0 HA LEU A 86 -10.861 1.429 -12.222 1.00 74.00 H new ATOM 0 HB2 LEU A 86 -11.904 3.196 -9.972 1.00 13.54 H new ATOM 0 HB3 LEU A 86 -11.403 1.528 -9.773 1.00 13.54 H new ATOM 0 HG LEU A 86 -9.631 3.857 -10.591 1.00 50.21 H new ATOM 0 HD11 LEU A 86 -8.510 3.439 -8.435 1.00 64.55 H new ATOM 0 HD12 LEU A 86 -10.224 3.868 -8.220 1.00 64.55 H new ATOM 0 HD13 LEU A 86 -9.705 2.173 -8.066 1.00 64.55 H new ATOM 0 HD21 LEU A 86 -7.756 2.251 -10.469 1.00 31.15 H new ATOM 0 HD22 LEU A 86 -8.915 0.928 -10.199 1.00 31.15 H new ATOM 0 HD23 LEU A 86 -8.921 1.815 -11.742 1.00 31.15 H new ATOM 1422 N PRO A 87 -13.090 0.278 -12.355 1.00 24.34 N ATOM 1423 CA PRO A 87 -14.388 -0.415 -12.461 1.00 50.51 C ATOM 1424 C PRO A 87 -14.994 -0.755 -11.084 1.00 71.12 C ATOM 1425 O PRO A 87 -14.299 -0.710 -10.067 1.00 45.03 O ATOM 1426 CB PRO A 87 -14.037 -1.695 -13.234 1.00 5.21 C ATOM 1427 CG PRO A 87 -12.601 -1.947 -12.908 1.00 3.31 C ATOM 1428 CD PRO A 87 -11.966 -0.587 -12.777 1.00 31.44 C ATOM 0 HA PRO A 87 -15.143 0.202 -12.948 1.00 50.51 H new ATOM 0 HB2 PRO A 87 -14.666 -2.530 -12.926 1.00 5.21 H new ATOM 0 HB3 PRO A 87 -14.184 -1.564 -14.306 1.00 5.21 H new ATOM 0 HG2 PRO A 87 -12.504 -2.515 -11.983 1.00 3.31 H new ATOM 0 HG3 PRO A 87 -12.118 -2.530 -13.692 1.00 3.31 H new ATOM 0 HD2 PRO A 87 -11.162 -0.588 -12.041 1.00 31.44 H new ATOM 0 HD3 PRO A 87 -11.534 -0.253 -13.720 1.00 31.44 H new ATOM 1436 N ALA A 88 -16.281 -1.118 -11.063 1.00 30.52 N ATOM 1437 CA ALA A 88 -16.996 -1.416 -9.807 1.00 20.02 C ATOM 1438 C ALA A 88 -16.235 -2.426 -8.927 1.00 63.13 C ATOM 1439 O ALA A 88 -16.212 -2.305 -7.698 1.00 53.34 O ATOM 1440 CB ALA A 88 -18.398 -1.933 -10.118 1.00 64.42 C ATOM 0 H ALA A 88 -16.854 -1.214 -11.901 1.00 30.52 H new ATOM 0 HA ALA A 88 -17.066 -0.488 -9.240 1.00 20.02 H new ATOM 0 HB1 ALA A 88 -18.920 -2.151 -9.186 1.00 64.42 H new ATOM 0 HB2 ALA A 88 -18.950 -1.176 -10.675 1.00 64.42 H new ATOM 0 HB3 ALA A 88 -18.326 -2.842 -10.715 1.00 64.42 H new ATOM 1446 N LYS A 89 -15.598 -3.403 -9.572 1.00 24.24 N ATOM 1447 CA LYS A 89 -14.811 -4.432 -8.873 1.00 61.11 C ATOM 1448 C LYS A 89 -13.723 -3.810 -7.975 1.00 54.21 C ATOM 1449 O LYS A 89 -13.540 -4.216 -6.826 1.00 4.33 O ATOM 1450 CB LYS A 89 -14.154 -5.388 -9.892 1.00 30.11 C ATOM 1451 CG LYS A 89 -15.094 -6.421 -10.524 1.00 40.24 C ATOM 1452 CD LYS A 89 -16.255 -5.785 -11.285 1.00 31.21 C ATOM 1453 CE LYS A 89 -17.053 -6.822 -12.075 1.00 5.31 C ATOM 1454 NZ LYS A 89 -17.509 -7.958 -11.227 1.00 65.03 N ATOM 0 H LYS A 89 -15.609 -3.508 -10.587 1.00 24.24 H new ATOM 0 HA LYS A 89 -15.498 -4.989 -8.236 1.00 61.11 H new ATOM 0 HB2 LYS A 89 -13.708 -4.792 -10.688 1.00 30.11 H new ATOM 0 HB3 LYS A 89 -13.340 -5.917 -9.396 1.00 30.11 H new ATOM 0 HG2 LYS A 89 -14.524 -7.054 -11.204 1.00 40.24 H new ATOM 0 HG3 LYS A 89 -15.491 -7.069 -9.743 1.00 40.24 H new ATOM 0 HD2 LYS A 89 -16.915 -5.277 -10.582 1.00 31.21 H new ATOM 0 HD3 LYS A 89 -15.870 -5.026 -11.967 1.00 31.21 H new ATOM 0 HE2 LYS A 89 -17.920 -6.341 -12.528 1.00 5.31 H new ATOM 0 HE3 LYS A 89 -16.439 -7.205 -12.890 1.00 5.31 H new ATOM 0 HZ1 LYS A 89 -18.169 -8.552 -11.768 1.00 65.03 H new ATOM 0 HZ2 LYS A 89 -16.688 -8.527 -10.938 1.00 65.03 H new ATOM 0 HZ3 LYS A 89 -17.989 -7.589 -10.381 1.00 65.03 H new ATOM 1468 N VAL A 90 -13.009 -2.821 -8.509 1.00 20.41 N ATOM 1469 CA VAL A 90 -11.904 -2.178 -7.782 1.00 20.31 C ATOM 1470 C VAL A 90 -12.396 -1.008 -6.914 1.00 62.40 C ATOM 1471 O VAL A 90 -11.995 -0.869 -5.759 1.00 60.10 O ATOM 1472 CB VAL A 90 -10.821 -1.657 -8.763 1.00 43.44 C ATOM 1473 CG1 VAL A 90 -9.639 -1.045 -8.008 1.00 40.50 C ATOM 1474 CG2 VAL A 90 -10.356 -2.774 -9.695 1.00 13.35 C ATOM 0 H VAL A 90 -13.172 -2.444 -9.443 1.00 20.41 H new ATOM 0 HA VAL A 90 -11.473 -2.940 -7.133 1.00 20.31 H new ATOM 0 HB VAL A 90 -11.268 -0.870 -9.371 1.00 43.44 H new ATOM 0 HG11 VAL A 90 -8.896 -0.689 -8.722 1.00 40.50 H new ATOM 0 HG12 VAL A 90 -9.988 -0.210 -7.401 1.00 40.50 H new ATOM 0 HG13 VAL A 90 -9.189 -1.800 -7.363 1.00 40.50 H new ATOM 0 HG21 VAL A 90 -9.597 -2.388 -10.375 1.00 13.35 H new ATOM 0 HG22 VAL A 90 -9.935 -3.588 -9.105 1.00 13.35 H new ATOM 0 HG23 VAL A 90 -11.204 -3.144 -10.271 1.00 13.35 H new ATOM 1484 N LYS A 91 -13.269 -0.180 -7.482 1.00 42.12 N ATOM 1485 CA LYS A 91 -13.797 1.007 -6.796 1.00 12.34 C ATOM 1486 C LYS A 91 -14.546 0.651 -5.500 1.00 44.20 C ATOM 1487 O LYS A 91 -14.167 1.077 -4.408 1.00 25.43 O ATOM 1488 CB LYS A 91 -14.744 1.766 -7.740 1.00 13.02 C ATOM 1489 CG LYS A 91 -15.465 2.944 -7.084 1.00 5.23 C ATOM 1490 CD LYS A 91 -16.567 3.507 -7.979 1.00 22.44 C ATOM 1491 CE LYS A 91 -17.402 4.562 -7.259 1.00 72.31 C ATOM 1492 NZ LYS A 91 -18.576 4.985 -8.067 1.00 21.24 N ATOM 0 H LYS A 91 -13.632 -0.308 -8.427 1.00 42.12 H new ATOM 0 HA LYS A 91 -12.946 1.631 -6.523 1.00 12.34 H new ATOM 0 HB2 LYS A 91 -14.173 2.132 -8.593 1.00 13.02 H new ATOM 0 HB3 LYS A 91 -15.487 1.070 -8.129 1.00 13.02 H new ATOM 0 HG2 LYS A 91 -15.896 2.623 -6.136 1.00 5.23 H new ATOM 0 HG3 LYS A 91 -14.745 3.730 -6.857 1.00 5.23 H new ATOM 0 HD2 LYS A 91 -16.121 3.945 -8.872 1.00 22.44 H new ATOM 0 HD3 LYS A 91 -17.215 2.696 -8.311 1.00 22.44 H new ATOM 0 HE2 LYS A 91 -17.743 4.165 -6.303 1.00 72.31 H new ATOM 0 HE3 LYS A 91 -16.780 5.430 -7.040 1.00 72.31 H new ATOM 0 HZ1 LYS A 91 -19.118 5.702 -7.543 1.00 21.24 H new ATOM 0 HZ2 LYS A 91 -18.250 5.387 -8.969 1.00 21.24 H new ATOM 0 HZ3 LYS A 91 -19.183 4.162 -8.255 1.00 21.24 H new