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 68 TYR OH : rot 180:sc= -1.74! USER MOD Set 1.2: A 70 SER OG : rot 59:sc= 0.173 USER MOD Set 1.3: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 TYR OH : rot 30:sc= -0.52 USER MOD Set 2.2: A 58 ASN : amide:sc=-0.00457 K(o=-0.52,f=-2.8) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 165:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 16 THR OG1 : rot -145:sc= 0.546 USER MOD Single : A 20 LYS NZ :NH3+ -137:sc= 1.23 (180deg=0.647) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 78:sc= 0.373 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0851) 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+ -143:sc= -0.519 (180deg=-2.06!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0626) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -2.12! (180deg=-4.99!) USER MOD Single : A 69 HIS : no HE2:sc= 0.0459 K(o=0.046,f=-2.9!) USER MOD Single : A 72 LYS NZ :NH3+ 136:sc= -1.27 (180deg=-3.81!) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= -0.032 (180deg=-0.172) USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= 1.29 (180deg=0.739) USER MOD Single : A 83 LYS NZ :NH3+ -136:sc= 1.23 (180deg=-0.424) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= -0.0382 (180deg=-0.229) USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0638 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 8 8.751 -5.730 -8.779 1.00 71.22 N ATOM 114 CA LYS A 8 8.401 -4.386 -9.243 1.00 13.24 C ATOM 115 C LYS A 8 6.878 -4.208 -9.264 1.00 4.32 C ATOM 116 O LYS A 8 6.220 -4.450 -10.278 1.00 43.51 O ATOM 117 CB LYS A 8 8.985 -4.099 -10.634 1.00 70.15 C ATOM 118 CG LYS A 8 10.504 -4.238 -10.715 1.00 1.40 C ATOM 119 CD LYS A 8 11.114 -3.261 -11.719 1.00 75.15 C ATOM 120 CE LYS A 8 10.487 -3.380 -13.107 1.00 60.02 C ATOM 121 NZ LYS A 8 11.098 -2.430 -14.075 1.00 54.30 N ATOM 0 HA LYS A 8 8.835 -3.672 -8.543 1.00 13.24 H new ATOM 0 HB2 LYS A 8 8.530 -4.779 -11.354 1.00 70.15 H new ATOM 0 HB3 LYS A 8 8.707 -3.088 -10.931 1.00 70.15 H new ATOM 0 HG2 LYS A 8 10.937 -4.064 -9.730 1.00 1.40 H new ATOM 0 HG3 LYS A 8 10.760 -5.258 -11.000 1.00 1.40 H new ATOM 0 HD2 LYS A 8 10.987 -2.242 -11.353 1.00 75.15 H new ATOM 0 HD3 LYS A 8 12.186 -3.442 -11.792 1.00 75.15 H new ATOM 0 HE2 LYS A 8 10.607 -4.399 -13.474 1.00 60.02 H new ATOM 0 HE3 LYS A 8 9.416 -3.190 -13.039 1.00 60.02 H new ATOM 0 HZ1 LYS A 8 10.645 -2.542 -15.004 1.00 54.30 H new ATOM 0 HZ2 LYS A 8 10.961 -1.456 -13.739 1.00 54.30 H new ATOM 0 HZ3 LYS A 8 12.116 -2.627 -14.160 1.00 54.30 H new ATOM 135 N ASP A 9 6.327 -3.817 -8.121 1.00 45.41 N ATOM 136 CA ASP A 9 4.879 -3.651 -7.969 1.00 35.41 C ATOM 137 C ASP A 9 4.424 -2.242 -8.376 1.00 71.53 C ATOM 138 O ASP A 9 5.242 -1.356 -8.633 1.00 22.12 O ATOM 139 CB ASP A 9 4.469 -3.906 -6.514 1.00 63.14 C ATOM 140 CG ASP A 9 4.935 -5.251 -5.985 1.00 41.13 C ATOM 141 OD1 ASP A 9 6.149 -5.405 -5.736 1.00 4.31 O ATOM 142 OD2 ASP A 9 4.090 -6.147 -5.793 1.00 1.13 O ATOM 0 H ASP A 9 6.862 -3.607 -7.278 1.00 45.41 H new ATOM 0 HA ASP A 9 4.398 -4.374 -8.627 1.00 35.41 H new ATOM 0 HB2 ASP A 9 4.877 -3.115 -5.885 1.00 63.14 H new ATOM 0 HB3 ASP A 9 3.383 -3.848 -6.434 1.00 63.14 H new ATOM 147 N GLU A 10 3.109 -2.048 -8.432 1.00 5.22 N ATOM 148 CA GLU A 10 2.520 -0.727 -8.674 1.00 74.53 C ATOM 149 C GLU A 10 1.105 -0.657 -8.080 1.00 74.32 C ATOM 150 O GLU A 10 0.135 -1.151 -8.657 1.00 31.51 O ATOM 151 CB GLU A 10 2.528 -0.396 -10.178 1.00 13.41 C ATOM 152 CG GLU A 10 1.840 -1.432 -11.066 1.00 10.20 C ATOM 153 CD GLU A 10 2.214 -1.276 -12.531 1.00 22.24 C ATOM 154 OE1 GLU A 10 1.630 -0.409 -13.213 1.00 10.52 O ATOM 155 OE2 GLU A 10 3.108 -2.012 -13.003 1.00 75.13 O ATOM 0 H GLU A 10 2.423 -2.794 -8.312 1.00 5.22 H new ATOM 0 HA GLU A 10 3.126 0.028 -8.173 1.00 74.53 H new ATOM 0 HB2 GLU A 10 2.042 0.569 -10.326 1.00 13.41 H new ATOM 0 HB3 GLU A 10 3.562 -0.286 -10.506 1.00 13.41 H new ATOM 0 HG2 GLU A 10 2.110 -2.433 -10.729 1.00 10.20 H new ATOM 0 HG3 GLU A 10 0.759 -1.340 -10.957 1.00 10.20 H new ATOM 162 N TYR A 11 1.000 -0.049 -6.903 1.00 31.21 N ATOM 163 CA TYR A 11 -0.245 -0.060 -6.132 1.00 72.34 C ATOM 164 C TYR A 11 -1.113 1.167 -6.430 1.00 4.35 C ATOM 165 O TYR A 11 -0.613 2.286 -6.524 1.00 73.31 O ATOM 166 CB TYR A 11 0.070 -0.101 -4.629 1.00 54.32 C ATOM 167 CG TYR A 11 1.009 -1.224 -4.220 1.00 52.44 C ATOM 168 CD1 TYR A 11 0.543 -2.526 -4.050 1.00 13.44 C ATOM 169 CD2 TYR A 11 2.362 -0.983 -4.002 1.00 21.44 C ATOM 170 CE1 TYR A 11 1.397 -3.547 -3.678 1.00 13.22 C ATOM 171 CE2 TYR A 11 3.219 -2.000 -3.631 1.00 72.13 C ATOM 172 CZ TYR A 11 2.733 -3.280 -3.470 1.00 62.32 C ATOM 173 OH TYR A 11 3.590 -4.297 -3.109 1.00 43.15 O ATOM 0 H TYR A 11 1.764 0.460 -6.458 1.00 31.21 H new ATOM 0 HA TYR A 11 -0.802 -0.950 -6.425 1.00 72.34 H new ATOM 0 HB2 TYR A 11 0.511 0.852 -4.335 1.00 54.32 H new ATOM 0 HB3 TYR A 11 -0.864 -0.204 -4.076 1.00 54.32 H new ATOM 0 HD1 TYR A 11 -0.503 -2.741 -4.212 1.00 13.44 H new ATOM 0 HD2 TYR A 11 2.749 0.018 -4.125 1.00 21.44 H new ATOM 0 HE1 TYR A 11 1.019 -4.551 -3.551 1.00 13.22 H new ATOM 0 HE2 TYR A 11 4.266 -1.793 -3.468 1.00 72.13 H new ATOM 0 HH TYR A 11 4.517 -4.004 -3.234 1.00 43.15 H new ATOM 183 N TYR A 12 -2.416 0.942 -6.586 1.00 3.02 N ATOM 184 CA TYR A 12 -3.376 2.038 -6.712 1.00 51.34 C ATOM 185 C TYR A 12 -3.877 2.432 -5.314 1.00 44.32 C ATOM 186 O TYR A 12 -4.760 1.782 -4.752 1.00 34.21 O ATOM 187 CB TYR A 12 -4.557 1.618 -7.602 1.00 14.23 C ATOM 188 CG TYR A 12 -4.147 1.019 -8.938 1.00 50.33 C ATOM 189 CD1 TYR A 12 -3.856 1.830 -10.032 1.00 35.20 C ATOM 190 CD2 TYR A 12 -4.060 -0.360 -9.108 1.00 3.42 C ATOM 191 CE1 TYR A 12 -3.492 1.283 -11.251 1.00 22.02 C ATOM 192 CE2 TYR A 12 -3.699 -0.913 -10.323 1.00 24.24 C ATOM 193 CZ TYR A 12 -3.416 -0.088 -11.391 1.00 22.44 C ATOM 194 OH TYR A 12 -3.065 -0.641 -12.605 1.00 0.12 O ATOM 0 H TYR A 12 -2.832 0.011 -6.628 1.00 3.02 H new ATOM 0 HA TYR A 12 -2.887 2.894 -7.178 1.00 51.34 H new ATOM 0 HB2 TYR A 12 -5.164 0.892 -7.062 1.00 14.23 H new ATOM 0 HB3 TYR A 12 -5.188 2.488 -7.785 1.00 14.23 H new ATOM 0 HD1 TYR A 12 -3.915 2.903 -9.928 1.00 35.20 H new ATOM 0 HD2 TYR A 12 -4.279 -1.011 -8.274 1.00 3.42 H new ATOM 0 HE1 TYR A 12 -3.268 1.927 -12.089 1.00 22.02 H new ATOM 0 HE2 TYR A 12 -3.639 -1.986 -10.435 1.00 24.24 H new ATOM 0 HH TYR A 12 -3.058 -1.618 -12.530 1.00 0.12 H new ATOM 204 N VAL A 13 -3.301 3.486 -4.754 1.00 34.31 N ATOM 205 CA VAL A 13 -3.582 3.875 -3.367 1.00 70.01 C ATOM 206 C VAL A 13 -4.198 5.276 -3.271 1.00 44.32 C ATOM 207 O VAL A 13 -3.675 6.237 -3.827 1.00 64.14 O ATOM 208 CB VAL A 13 -2.294 3.814 -2.506 1.00 4.43 C ATOM 209 CG1 VAL A 13 -1.866 2.366 -2.276 1.00 1.53 C ATOM 210 CG2 VAL A 13 -1.164 4.605 -3.167 1.00 62.40 C ATOM 0 H VAL A 13 -2.635 4.092 -5.234 1.00 34.31 H new ATOM 0 HA VAL A 13 -4.310 3.160 -2.983 1.00 70.01 H new ATOM 0 HB VAL A 13 -2.512 4.267 -1.539 1.00 4.43 H new ATOM 0 HG11 VAL A 13 -0.960 2.346 -1.670 1.00 1.53 H new ATOM 0 HG12 VAL A 13 -2.661 1.829 -1.758 1.00 1.53 H new ATOM 0 HG13 VAL A 13 -1.671 1.888 -3.236 1.00 1.53 H new ATOM 0 HG21 VAL A 13 -0.270 4.549 -2.547 1.00 62.40 H new ATOM 0 HG22 VAL A 13 -0.951 4.183 -4.149 1.00 62.40 H new ATOM 0 HG23 VAL A 13 -1.465 5.647 -3.277 1.00 62.40 H new ATOM 220 N GLN A 14 -5.316 5.385 -2.556 1.00 35.10 N ATOM 221 CA GLN A 14 -6.004 6.671 -2.389 1.00 63.12 C ATOM 222 C GLN A 14 -5.350 7.524 -1.288 1.00 35.03 C ATOM 223 O GLN A 14 -4.781 6.995 -0.330 1.00 71.43 O ATOM 224 CB GLN A 14 -7.492 6.449 -2.069 1.00 72.31 C ATOM 225 CG GLN A 14 -7.755 5.720 -0.752 1.00 73.42 C ATOM 226 CD GLN A 14 -9.236 5.510 -0.471 1.00 41.23 C ATOM 227 OE1 GLN A 14 -10.075 6.417 -0.935 1.00 62.01 O flip ATOM 228 NE2 GLN A 14 -9.628 4.535 0.165 1.00 2.22 N flip ATOM 0 H GLN A 14 -5.767 4.602 -2.082 1.00 35.10 H new ATOM 0 HA GLN A 14 -5.918 7.213 -3.331 1.00 63.12 H new ATOM 0 HB2 GLN A 14 -7.993 7.417 -2.040 1.00 72.31 H new ATOM 0 HB3 GLN A 14 -7.944 5.880 -2.881 1.00 72.31 H new ATOM 0 HG2 GLN A 14 -7.255 4.752 -0.773 1.00 73.42 H new ATOM 0 HG3 GLN A 14 -7.313 6.289 0.066 1.00 73.42 H new ATOM 0 HE21 GLN A 14 -8.957 3.849 0.512 1.00 2.22 H new ATOM 0 HE22 GLN A 14 -10.624 4.411 0.346 1.00 2.22 H new ATOM 237 N ILE A 15 -5.437 8.843 -1.433 1.00 41.24 N ATOM 238 CA ILE A 15 -4.856 9.771 -0.458 1.00 33.22 C ATOM 239 C ILE A 15 -5.533 9.666 0.918 1.00 70.22 C ATOM 240 O ILE A 15 -6.736 9.910 1.055 1.00 75.14 O ATOM 241 CB ILE A 15 -4.942 11.234 -0.958 1.00 51.52 C ATOM 242 CG1 ILE A 15 -4.184 11.386 -2.285 1.00 22.03 C ATOM 243 CG2 ILE A 15 -4.398 12.207 0.092 1.00 3.52 C ATOM 244 CD1 ILE A 15 -2.712 11.031 -2.194 1.00 64.52 C ATOM 0 H ILE A 15 -5.905 9.298 -2.217 1.00 41.24 H new ATOM 0 HA ILE A 15 -3.810 9.485 -0.349 1.00 33.22 H new ATOM 0 HB ILE A 15 -5.991 11.478 -1.126 1.00 51.52 H new ATOM 0 HG12 ILE A 15 -4.655 10.752 -3.036 1.00 22.03 H new ATOM 0 HG13 ILE A 15 -4.279 12.415 -2.631 1.00 22.03 H new ATOM 0 HG21 ILE A 15 -4.470 13.227 -0.285 1.00 3.52 H new ATOM 0 HG22 ILE A 15 -4.981 12.117 1.008 1.00 3.52 H new ATOM 0 HG23 ILE A 15 -3.355 11.971 0.301 1.00 3.52 H new ATOM 0 HD11 ILE A 15 -2.245 11.163 -3.170 1.00 64.52 H new ATOM 0 HD12 ILE A 15 -2.225 11.682 -1.468 1.00 64.52 H new ATOM 0 HD13 ILE A 15 -2.607 9.993 -1.879 1.00 64.52 H new ATOM 256 N THR A 16 -4.745 9.299 1.927 1.00 50.42 N ATOM 257 CA THR A 16 -5.220 9.250 3.314 1.00 1.45 C ATOM 258 C THR A 16 -5.284 10.663 3.915 1.00 71.32 C ATOM 259 O THR A 16 -6.357 11.155 4.269 1.00 62.43 O ATOM 260 CB THR A 16 -4.296 8.369 4.192 1.00 52.41 C ATOM 261 OG1 THR A 16 -2.955 8.887 4.159 1.00 12.35 O ATOM 262 CG2 THR A 16 -4.296 6.921 3.711 1.00 74.04 C ATOM 0 H THR A 16 -3.768 9.029 1.811 1.00 50.42 H new ATOM 0 HA THR A 16 -6.219 8.813 3.300 1.00 1.45 H new ATOM 0 HB THR A 16 -4.676 8.392 5.214 1.00 52.41 H new ATOM 0 HG1 THR A 16 -2.316 8.144 4.196 1.00 12.35 H new ATOM 0 HG21 THR A 16 -3.639 6.327 4.346 1.00 74.04 H new ATOM 0 HG22 THR A 16 -5.309 6.521 3.761 1.00 74.04 H new ATOM 0 HG23 THR A 16 -3.940 6.880 2.681 1.00 74.04 H new ATOM 270 N VAL A 17 -4.122 11.306 4.024 1.00 71.33 N ATOM 271 CA VAL A 17 -4.024 12.684 4.522 1.00 65.51 C ATOM 272 C VAL A 17 -3.109 13.541 3.630 1.00 15.55 C ATOM 273 O VAL A 17 -2.161 13.037 3.023 1.00 42.31 O ATOM 274 CB VAL A 17 -3.488 12.729 5.980 1.00 41.33 C ATOM 275 CG1 VAL A 17 -4.448 12.021 6.937 1.00 60.24 C ATOM 276 CG2 VAL A 17 -2.088 12.116 6.066 1.00 43.44 C ATOM 0 H VAL A 17 -3.225 10.892 3.772 1.00 71.33 H new ATOM 0 HA VAL A 17 -5.035 13.092 4.500 1.00 65.51 H new ATOM 0 HB VAL A 17 -3.420 13.775 6.280 1.00 41.33 H new ATOM 0 HG11 VAL A 17 -4.050 12.066 7.951 1.00 60.24 H new ATOM 0 HG12 VAL A 17 -5.420 12.512 6.906 1.00 60.24 H new ATOM 0 HG13 VAL A 17 -4.558 10.979 6.637 1.00 60.24 H new ATOM 0 HG21 VAL A 17 -1.735 12.159 7.096 1.00 43.44 H new ATOM 0 HG22 VAL A 17 -2.125 11.077 5.738 1.00 43.44 H new ATOM 0 HG23 VAL A 17 -1.406 12.675 5.425 1.00 43.44 H new ATOM 286 N ASP A 18 -3.408 14.835 3.548 1.00 71.02 N ATOM 287 CA ASP A 18 -2.586 15.785 2.787 1.00 62.21 C ATOM 288 C ASP A 18 -2.267 17.032 3.627 1.00 5.32 C ATOM 289 O ASP A 18 -2.705 17.149 4.771 1.00 71.21 O ATOM 290 CB ASP A 18 -3.303 16.182 1.491 1.00 21.20 C ATOM 291 CG ASP A 18 -4.671 16.795 1.746 1.00 20.21 C ATOM 292 OD1 ASP A 18 -5.659 16.038 1.836 1.00 12.42 O ATOM 293 OD2 ASP A 18 -4.768 18.038 1.855 1.00 34.53 O ATOM 0 H ASP A 18 -4.219 15.256 4.001 1.00 71.02 H new ATOM 0 HA ASP A 18 -1.644 15.298 2.535 1.00 62.21 H new ATOM 0 HB2 ASP A 18 -2.686 16.894 0.942 1.00 21.20 H new ATOM 0 HB3 ASP A 18 -3.415 15.302 0.858 1.00 21.20 H new ATOM 298 N GLY A 19 -1.507 17.964 3.056 1.00 13.34 N ATOM 299 CA GLY A 19 -1.178 19.201 3.760 1.00 40.12 C ATOM 300 C GLY A 19 -0.183 19.027 4.911 1.00 20.43 C ATOM 301 O GLY A 19 0.114 19.988 5.623 1.00 34.25 O ATOM 0 H GLY A 19 -1.111 17.888 2.119 1.00 13.34 H new ATOM 0 HA2 GLY A 19 -0.767 19.914 3.045 1.00 40.12 H new ATOM 0 HA3 GLY A 19 -2.097 19.637 4.152 1.00 40.12 H new ATOM 305 N LYS A 20 0.327 17.811 5.109 1.00 41.31 N ATOM 306 CA LYS A 20 1.375 17.575 6.111 1.00 64.03 C ATOM 307 C LYS A 20 2.758 17.822 5.495 1.00 63.10 C ATOM 308 O LYS A 20 3.058 17.306 4.421 1.00 42.02 O ATOM 309 CB LYS A 20 1.318 16.133 6.649 1.00 12.41 C ATOM 310 CG LYS A 20 2.281 15.891 7.814 1.00 14.44 C ATOM 311 CD LYS A 20 2.692 14.424 7.956 1.00 63.11 C ATOM 312 CE LYS A 20 1.512 13.501 8.243 1.00 21.34 C ATOM 313 NZ LYS A 20 1.963 12.105 8.496 1.00 54.31 N ATOM 0 H LYS A 20 0.037 16.979 4.595 1.00 41.31 H new ATOM 0 HA LYS A 20 1.205 18.266 6.937 1.00 64.03 H new ATOM 0 HB2 LYS A 20 0.301 15.912 6.973 1.00 12.41 H new ATOM 0 HB3 LYS A 20 1.552 15.440 5.841 1.00 12.41 H new ATOM 0 HG2 LYS A 20 3.174 16.500 7.673 1.00 14.44 H new ATOM 0 HG3 LYS A 20 1.812 16.222 8.740 1.00 14.44 H new ATOM 0 HD2 LYS A 20 3.185 14.100 7.040 1.00 63.11 H new ATOM 0 HD3 LYS A 20 3.422 14.333 8.760 1.00 63.11 H new ATOM 0 HE2 LYS A 20 0.962 13.870 9.109 1.00 21.34 H new ATOM 0 HE3 LYS A 20 0.823 13.515 7.398 1.00 21.34 H new ATOM 0 HZ1 LYS A 20 1.334 11.442 7.999 1.00 54.31 H new ATOM 0 HZ2 LYS A 20 2.936 11.986 8.148 1.00 54.31 H new ATOM 0 HZ3 LYS A 20 1.934 11.911 9.517 1.00 54.31 H new ATOM 327 N GLU A 21 3.600 18.598 6.169 1.00 33.04 N ATOM 328 CA GLU A 21 4.947 18.885 5.658 1.00 42.45 C ATOM 329 C GLU A 21 6.035 18.061 6.372 1.00 34.05 C ATOM 330 O GLU A 21 5.794 17.442 7.415 1.00 35.12 O ATOM 331 CB GLU A 21 5.250 20.394 5.745 1.00 53.12 C ATOM 332 CG GLU A 21 4.852 21.064 7.064 1.00 72.21 C ATOM 333 CD GLU A 21 5.551 20.486 8.287 1.00 42.54 C ATOM 334 OE1 GLU A 21 6.797 20.499 8.336 1.00 1.54 O ATOM 335 OE2 GLU A 21 4.850 20.018 9.211 1.00 40.14 O ATOM 0 H GLU A 21 3.382 19.039 7.063 1.00 33.04 H new ATOM 0 HA GLU A 21 4.964 18.585 4.610 1.00 42.45 H new ATOM 0 HB2 GLU A 21 6.318 20.543 5.588 1.00 53.12 H new ATOM 0 HB3 GLU A 21 4.734 20.900 4.929 1.00 53.12 H new ATOM 0 HG2 GLU A 21 5.075 22.129 7.000 1.00 72.21 H new ATOM 0 HG3 GLU A 21 3.774 20.971 7.196 1.00 72.21 H new ATOM 342 N VAL A 22 7.232 18.047 5.784 1.00 55.53 N ATOM 343 CA VAL A 22 8.385 17.340 6.359 1.00 70.03 C ATOM 344 C VAL A 22 9.547 18.296 6.690 1.00 3.12 C ATOM 345 O VAL A 22 10.622 18.228 6.089 1.00 71.13 O ATOM 346 CB VAL A 22 8.898 16.215 5.416 1.00 14.41 C ATOM 347 CG1 VAL A 22 7.901 15.063 5.360 1.00 50.25 C ATOM 348 CG2 VAL A 22 9.180 16.757 4.016 1.00 42.21 C ATOM 0 H VAL A 22 7.432 18.520 4.903 1.00 55.53 H new ATOM 0 HA VAL A 22 8.030 16.892 7.287 1.00 70.03 H new ATOM 0 HB VAL A 22 9.836 15.836 5.823 1.00 14.41 H new ATOM 0 HG11 VAL A 22 8.279 14.287 4.695 1.00 50.25 H new ATOM 0 HG12 VAL A 22 7.766 14.650 6.360 1.00 50.25 H new ATOM 0 HG13 VAL A 22 6.944 15.428 4.985 1.00 50.25 H new ATOM 0 HG21 VAL A 22 9.537 15.949 3.378 1.00 42.21 H new ATOM 0 HG22 VAL A 22 8.264 17.173 3.596 1.00 42.21 H new ATOM 0 HG23 VAL A 22 9.940 17.536 4.074 1.00 42.21 H new ATOM 358 N HIS A 23 9.328 19.196 7.648 1.00 33.21 N ATOM 359 CA HIS A 23 10.394 20.096 8.107 1.00 31.44 C ATOM 360 C HIS A 23 11.545 19.300 8.737 1.00 42.43 C ATOM 361 O HIS A 23 12.698 19.721 8.707 1.00 40.34 O ATOM 362 CB HIS A 23 9.844 21.121 9.111 1.00 53.20 C ATOM 363 CG HIS A 23 10.799 22.232 9.425 1.00 0.42 C ATOM 364 ND1 HIS A 23 10.799 23.431 8.747 1.00 31.13 N ATOM 365 CD2 HIS A 23 11.790 22.327 10.344 1.00 24.33 C ATOM 366 CE1 HIS A 23 11.745 24.207 9.230 1.00 31.31 C ATOM 367 NE2 HIS A 23 12.360 23.568 10.199 1.00 41.21 N ATOM 0 H HIS A 23 8.433 19.324 8.120 1.00 33.21 H new ATOM 0 HA HIS A 23 10.779 20.632 7.240 1.00 31.44 H new ATOM 0 HB2 HIS A 23 8.923 21.547 8.713 1.00 53.20 H new ATOM 0 HB3 HIS A 23 9.583 20.606 10.036 1.00 53.20 H new ATOM 0 HD2 HIS A 23 12.078 21.569 11.057 1.00 24.33 H new ATOM 0 HE1 HIS A 23 11.978 25.204 8.887 1.00 31.31 H new ATOM 0 HE2 HIS A 23 13.134 23.934 10.753 1.00 41.21 H new ATOM 491 N TYR A 32 11.815 25.396 4.587 1.00 14.45 N ATOM 492 CA TYR A 32 11.184 24.776 3.408 1.00 71.00 C ATOM 493 C TYR A 32 9.922 23.977 3.784 1.00 31.24 C ATOM 494 O TYR A 32 9.751 23.571 4.937 1.00 21.10 O ATOM 495 CB TYR A 32 12.182 23.848 2.703 1.00 54.05 C ATOM 496 CG TYR A 32 12.648 22.682 3.561 1.00 41.14 C ATOM 497 CD1 TYR A 32 13.634 22.857 4.525 1.00 41.43 C ATOM 498 CD2 TYR A 32 12.100 21.411 3.414 1.00 60.10 C ATOM 499 CE1 TYR A 32 14.060 21.810 5.309 1.00 5.01 C ATOM 500 CE2 TYR A 32 12.524 20.355 4.200 1.00 64.44 C ATOM 501 CZ TYR A 32 13.506 20.562 5.145 1.00 22.41 C ATOM 502 OH TYR A 32 13.936 19.522 5.934 1.00 12.33 O ATOM 0 HA TYR A 32 10.887 25.582 2.738 1.00 71.00 H new ATOM 0 HB2 TYR A 32 11.722 23.458 1.795 1.00 54.05 H new ATOM 0 HB3 TYR A 32 13.050 24.430 2.395 1.00 54.05 H new ATOM 0 HD1 TYR A 32 14.074 23.834 4.661 1.00 41.43 H new ATOM 0 HD2 TYR A 32 11.331 21.247 2.674 1.00 60.10 H new ATOM 0 HE1 TYR A 32 14.828 21.968 6.052 1.00 5.01 H new ATOM 0 HE2 TYR A 32 12.089 19.375 4.074 1.00 64.44 H new ATOM 0 HH TYR A 32 13.532 19.598 6.824 1.00 12.33 H new ATOM 512 N LYS A 33 9.044 23.751 2.803 1.00 44.34 N ATOM 513 CA LYS A 33 7.836 22.933 3.003 1.00 1.44 C ATOM 514 C LYS A 33 7.659 21.890 1.888 1.00 5.44 C ATOM 515 O LYS A 33 7.306 22.227 0.756 1.00 75.43 O ATOM 516 CB LYS A 33 6.579 23.812 3.062 1.00 15.23 C ATOM 517 CG LYS A 33 6.507 24.751 4.260 1.00 64.52 C ATOM 518 CD LYS A 33 6.628 24.011 5.590 1.00 3.24 C ATOM 519 CE LYS A 33 6.236 24.902 6.767 1.00 74.04 C ATOM 520 NZ LYS A 33 6.972 26.193 6.767 1.00 22.33 N ATOM 0 H LYS A 33 9.144 24.123 1.858 1.00 44.34 H new ATOM 0 HA LYS A 33 7.967 22.414 3.953 1.00 1.44 H new ATOM 0 HB2 LYS A 33 6.526 24.406 2.150 1.00 15.23 H new ATOM 0 HB3 LYS A 33 5.702 23.165 3.073 1.00 15.23 H new ATOM 0 HG2 LYS A 33 7.304 25.491 4.186 1.00 64.52 H new ATOM 0 HG3 LYS A 33 5.563 25.295 4.235 1.00 64.52 H new ATOM 0 HD2 LYS A 33 5.991 23.127 5.574 1.00 3.24 H new ATOM 0 HD3 LYS A 33 7.653 23.663 5.722 1.00 3.24 H new ATOM 0 HE2 LYS A 33 5.164 25.097 6.731 1.00 74.04 H new ATOM 0 HE3 LYS A 33 6.432 24.374 7.700 1.00 74.04 H new ATOM 0 HZ1 LYS A 33 6.817 26.681 7.672 1.00 22.33 H new ATOM 0 HZ2 LYS A 33 7.988 26.013 6.640 1.00 22.33 H new ATOM 0 HZ3 LYS A 33 6.626 26.790 5.988 1.00 22.33 H new ATOM 534 N ASP A 34 7.904 20.631 2.221 1.00 43.35 N ATOM 535 CA ASP A 34 7.617 19.509 1.316 1.00 63.02 C ATOM 536 C ASP A 34 6.536 18.615 1.939 1.00 24.41 C ATOM 537 O ASP A 34 6.566 18.351 3.139 1.00 43.42 O ATOM 538 CB ASP A 34 8.887 18.698 1.034 1.00 1.21 C ATOM 539 CG ASP A 34 9.911 19.483 0.233 1.00 22.22 C ATOM 540 OD1 ASP A 34 10.619 20.326 0.820 1.00 13.25 O ATOM 541 OD2 ASP A 34 10.014 19.266 -0.994 1.00 71.23 O ATOM 0 H ASP A 34 8.304 20.352 3.117 1.00 43.35 H new ATOM 0 HA ASP A 34 7.255 19.904 0.367 1.00 63.02 H new ATOM 0 HB2 ASP A 34 9.332 18.385 1.979 1.00 1.21 H new ATOM 0 HB3 ASP A 34 8.622 17.791 0.490 1.00 1.21 H new ATOM 546 N TYR A 35 5.582 18.157 1.132 1.00 40.33 N ATOM 547 CA TYR A 35 4.419 17.431 1.660 1.00 61.43 C ATOM 548 C TYR A 35 4.665 15.921 1.777 1.00 4.23 C ATOM 549 O TYR A 35 5.369 15.327 0.967 1.00 12.24 O ATOM 550 CB TYR A 35 3.183 17.714 0.799 1.00 61.41 C ATOM 551 CG TYR A 35 2.734 19.163 0.878 1.00 65.01 C ATOM 552 CD1 TYR A 35 2.173 19.665 2.047 1.00 30.13 C ATOM 553 CD2 TYR A 35 2.881 20.029 -0.202 1.00 50.33 C ATOM 554 CE1 TYR A 35 1.774 20.982 2.141 1.00 64.20 C ATOM 555 CE2 TYR A 35 2.480 21.349 -0.115 1.00 12.32 C ATOM 556 CZ TYR A 35 1.926 21.820 1.060 1.00 4.34 C ATOM 557 OH TYR A 35 1.533 23.136 1.156 1.00 2.22 O ATOM 0 H TYR A 35 5.586 18.272 0.118 1.00 40.33 H new ATOM 0 HA TYR A 35 4.245 17.797 2.672 1.00 61.43 H new ATOM 0 HB2 TYR A 35 3.402 17.462 -0.238 1.00 61.41 H new ATOM 0 HB3 TYR A 35 2.366 17.067 1.119 1.00 61.41 H new ATOM 0 HD1 TYR A 35 2.047 19.011 2.897 1.00 30.13 H new ATOM 0 HD2 TYR A 35 3.315 19.664 -1.121 1.00 50.33 H new ATOM 0 HE1 TYR A 35 1.344 21.354 3.059 1.00 64.20 H new ATOM 0 HE2 TYR A 35 2.599 22.009 -0.961 1.00 12.32 H new ATOM 0 HH TYR A 35 1.709 23.593 0.307 1.00 2.22 H new ATOM 567 N GLU A 36 4.055 15.314 2.794 1.00 74.04 N ATOM 568 CA GLU A 36 4.252 13.893 3.110 1.00 65.14 C ATOM 569 C GLU A 36 2.981 13.074 2.850 1.00 44.05 C ATOM 570 O GLU A 36 1.946 13.298 3.482 1.00 33.34 O ATOM 571 CB GLU A 36 4.654 13.742 4.585 1.00 3.11 C ATOM 572 CG GLU A 36 4.921 12.299 5.023 1.00 40.51 C ATOM 573 CD GLU A 36 5.157 12.174 6.522 1.00 11.25 C ATOM 574 OE1 GLU A 36 6.187 12.681 7.011 1.00 74.12 O ATOM 575 OE2 GLU A 36 4.313 11.572 7.220 1.00 3.34 O ATOM 0 H GLU A 36 3.410 15.790 3.424 1.00 74.04 H new ATOM 0 HA GLU A 36 5.042 13.515 2.461 1.00 65.14 H new ATOM 0 HB2 GLU A 36 5.550 14.336 4.768 1.00 3.11 H new ATOM 0 HB3 GLU A 36 3.863 14.158 5.209 1.00 3.11 H new ATOM 0 HG2 GLU A 36 4.074 11.675 4.740 1.00 40.51 H new ATOM 0 HG3 GLU A 36 5.791 11.917 4.489 1.00 40.51 H new ATOM 582 N TYR A 37 3.063 12.119 1.929 1.00 65.51 N ATOM 583 CA TYR A 37 1.955 11.193 1.675 1.00 45.21 C ATOM 584 C TYR A 37 2.293 9.779 2.177 1.00 4.34 C ATOM 585 O TYR A 37 3.039 9.035 1.532 1.00 43.40 O ATOM 586 CB TYR A 37 1.598 11.165 0.180 1.00 13.51 C ATOM 587 CG TYR A 37 0.962 12.450 -0.320 1.00 61.35 C ATOM 588 CD1 TYR A 37 -0.320 12.812 0.082 1.00 24.54 C ATOM 589 CD2 TYR A 37 1.635 13.298 -1.194 1.00 31.43 C ATOM 590 CE1 TYR A 37 -0.910 13.977 -0.369 1.00 11.15 C ATOM 591 CE2 TYR A 37 1.050 14.466 -1.648 1.00 65.24 C ATOM 592 CZ TYR A 37 -0.222 14.802 -1.232 1.00 44.04 C ATOM 593 OH TYR A 37 -0.808 15.965 -1.682 1.00 43.13 O ATOM 0 H TYR A 37 3.884 11.963 1.344 1.00 65.51 H new ATOM 0 HA TYR A 37 1.086 11.551 2.228 1.00 45.21 H new ATOM 0 HB2 TYR A 37 2.502 10.969 -0.397 1.00 13.51 H new ATOM 0 HB3 TYR A 37 0.915 10.336 -0.006 1.00 13.51 H new ATOM 0 HD1 TYR A 37 -0.864 12.170 0.759 1.00 24.54 H new ATOM 0 HD2 TYR A 37 2.631 13.040 -1.523 1.00 31.43 H new ATOM 0 HE1 TYR A 37 -1.907 14.240 -0.046 1.00 11.15 H new ATOM 0 HE2 TYR A 37 1.587 15.113 -2.326 1.00 65.24 H new ATOM 0 HH TYR A 37 -1.426 16.304 -1.002 1.00 43.13 H new ATOM 603 N LYS A 38 1.755 9.431 3.344 1.00 24.23 N ATOM 604 CA LYS A 38 1.968 8.110 3.951 1.00 35.02 C ATOM 605 C LYS A 38 0.718 7.228 3.806 1.00 20.31 C ATOM 606 O LYS A 38 -0.379 7.618 4.212 1.00 11.13 O ATOM 607 CB LYS A 38 2.330 8.269 5.435 1.00 30.24 C ATOM 608 CG LYS A 38 2.561 6.944 6.160 1.00 50.02 C ATOM 609 CD LYS A 38 2.928 7.159 7.625 1.00 54.43 C ATOM 610 CE LYS A 38 3.161 5.839 8.352 1.00 65.23 C ATOM 611 NZ LYS A 38 3.580 6.048 9.762 1.00 54.55 N ATOM 0 H LYS A 38 1.162 10.050 3.896 1.00 24.23 H new ATOM 0 HA LYS A 38 2.791 7.622 3.429 1.00 35.02 H new ATOM 0 HB2 LYS A 38 3.230 8.878 5.516 1.00 30.24 H new ATOM 0 HB3 LYS A 38 1.530 8.813 5.938 1.00 30.24 H new ATOM 0 HG2 LYS A 38 1.661 6.333 6.096 1.00 50.02 H new ATOM 0 HG3 LYS A 38 3.358 6.391 5.663 1.00 50.02 H new ATOM 0 HD2 LYS A 38 3.827 7.772 7.688 1.00 54.43 H new ATOM 0 HD3 LYS A 38 2.130 7.711 8.122 1.00 54.43 H new ATOM 0 HE2 LYS A 38 2.247 5.246 8.329 1.00 65.23 H new ATOM 0 HE3 LYS A 38 3.926 5.266 7.827 1.00 65.23 H new ATOM 0 HZ1 LYS A 38 3.728 5.126 10.220 1.00 54.55 H new ATOM 0 HZ2 LYS A 38 4.466 6.592 9.784 1.00 54.55 H new ATOM 0 HZ3 LYS A 38 2.839 6.572 10.270 1.00 54.55 H new ATOM 625 N LEU A 39 0.891 6.035 3.238 1.00 2.11 N ATOM 626 CA LEU A 39 -0.236 5.131 2.972 1.00 35.45 C ATOM 627 C LEU A 39 0.222 3.668 2.808 1.00 41.11 C ATOM 628 O LEU A 39 1.398 3.392 2.574 1.00 23.13 O ATOM 629 CB LEU A 39 -1.011 5.621 1.728 1.00 3.43 C ATOM 630 CG LEU A 39 -0.147 6.205 0.586 1.00 54.43 C ATOM 631 CD1 LEU A 39 0.679 5.123 -0.105 1.00 34.51 C ATOM 632 CD2 LEU A 39 -1.021 6.951 -0.421 1.00 32.34 C ATOM 0 H LEU A 39 1.799 5.669 2.952 1.00 2.11 H new ATOM 0 HA LEU A 39 -0.901 5.150 3.835 1.00 35.45 H new ATOM 0 HB2 LEU A 39 -1.589 4.787 1.331 1.00 3.43 H new ATOM 0 HB3 LEU A 39 -1.725 6.382 2.044 1.00 3.43 H new ATOM 0 HG LEU A 39 0.552 6.914 1.029 1.00 54.43 H new ATOM 0 HD11 LEU A 39 1.273 5.572 -0.901 1.00 34.51 H new ATOM 0 HD12 LEU A 39 1.342 4.652 0.621 1.00 34.51 H new ATOM 0 HD13 LEU A 39 0.013 4.371 -0.529 1.00 34.51 H new ATOM 0 HD21 LEU A 39 -0.395 7.355 -1.217 1.00 32.34 H new ATOM 0 HD22 LEU A 39 -1.752 6.264 -0.847 1.00 32.34 H new ATOM 0 HD23 LEU A 39 -1.540 7.767 0.082 1.00 32.34 H new ATOM 644 N THR A 40 -0.715 2.732 2.944 1.00 40.10 N ATOM 645 CA THR A 40 -0.405 1.301 2.810 1.00 31.52 C ATOM 646 C THR A 40 -0.753 0.774 1.412 1.00 12.21 C ATOM 647 O THR A 40 -1.907 0.820 0.987 1.00 1.02 O ATOM 648 CB THR A 40 -1.160 0.443 3.859 1.00 1.24 C ATOM 649 OG1 THR A 40 -0.848 0.888 5.191 1.00 42.23 O ATOM 650 CG2 THR A 40 -0.795 -1.033 3.723 1.00 71.10 C ATOM 0 H THR A 40 -1.694 2.933 3.146 1.00 40.10 H new ATOM 0 HA THR A 40 0.668 1.212 2.977 1.00 31.52 H new ATOM 0 HB THR A 40 -2.228 0.561 3.677 1.00 1.24 H new ATOM 0 HG1 THR A 40 -1.333 0.338 5.842 1.00 42.23 H new ATOM 0 HG21 THR A 40 -1.338 -1.612 4.470 1.00 71.10 H new ATOM 0 HG22 THR A 40 -1.063 -1.384 2.726 1.00 71.10 H new ATOM 0 HG23 THR A 40 0.277 -1.158 3.875 1.00 71.10 H new ATOM 658 N GLY A 41 0.251 0.275 0.701 1.00 14.11 N ATOM 659 CA GLY A 41 0.019 -0.357 -0.589 1.00 74.41 C ATOM 660 C GLY A 41 -0.503 -1.782 -0.443 1.00 15.54 C ATOM 661 O GLY A 41 0.178 -2.644 0.115 1.00 10.51 O ATOM 0 H GLY A 41 1.228 0.296 0.995 1.00 14.11 H new ATOM 0 HA2 GLY A 41 -0.698 0.235 -1.159 1.00 74.41 H new ATOM 0 HA3 GLY A 41 0.948 -0.368 -1.159 1.00 74.41 H new ATOM 665 N PHE A 42 -1.719 -2.032 -0.924 1.00 2.53 N ATOM 666 CA PHE A 42 -2.347 -3.354 -0.805 1.00 3.21 C ATOM 667 C PHE A 42 -2.228 -4.167 -2.102 1.00 75.13 C ATOM 668 O PHE A 42 -2.344 -3.632 -3.205 1.00 54.02 O ATOM 669 CB PHE A 42 -3.825 -3.210 -0.418 1.00 22.21 C ATOM 670 CG PHE A 42 -4.038 -2.589 0.941 1.00 2.43 C ATOM 671 CD1 PHE A 42 -3.850 -3.338 2.093 1.00 33.11 C ATOM 672 CD2 PHE A 42 -4.425 -1.262 1.066 1.00 13.51 C ATOM 673 CE1 PHE A 42 -4.043 -2.777 3.339 1.00 2.22 C ATOM 674 CE2 PHE A 42 -4.618 -0.698 2.311 1.00 63.31 C ATOM 675 CZ PHE A 42 -4.427 -1.457 3.448 1.00 73.32 C ATOM 0 H PHE A 42 -2.293 -1.337 -1.401 1.00 2.53 H new ATOM 0 HA PHE A 42 -1.815 -3.894 -0.022 1.00 3.21 H new ATOM 0 HB2 PHE A 42 -4.331 -2.603 -1.169 1.00 22.21 H new ATOM 0 HB3 PHE A 42 -4.294 -4.194 -0.436 1.00 22.21 H new ATOM 0 HD1 PHE A 42 -3.549 -4.372 2.014 1.00 33.11 H new ATOM 0 HD2 PHE A 42 -4.577 -0.664 0.179 1.00 13.51 H new ATOM 0 HE1 PHE A 42 -3.893 -3.371 4.228 1.00 2.22 H new ATOM 0 HE2 PHE A 42 -4.918 0.336 2.395 1.00 63.31 H new ATOM 0 HZ PHE A 42 -4.578 -1.017 4.423 1.00 73.32 H new ATOM 685 N ASP A 43 -1.991 -5.467 -1.953 1.00 14.15 N ATOM 686 CA ASP A 43 -1.899 -6.383 -3.090 1.00 5.23 C ATOM 687 C ASP A 43 -3.269 -7.018 -3.412 1.00 50.42 C ATOM 688 O ASP A 43 -4.192 -6.989 -2.597 1.00 60.10 O ATOM 689 CB ASP A 43 -0.854 -7.469 -2.790 1.00 41.11 C ATOM 690 CG ASP A 43 -0.723 -8.486 -3.911 1.00 11.14 C ATOM 691 OD1 ASP A 43 -0.050 -8.189 -4.919 1.00 52.13 O ATOM 692 OD2 ASP A 43 -1.315 -9.580 -3.797 1.00 20.25 O ATOM 0 H ASP A 43 -1.858 -5.915 -1.047 1.00 14.15 H new ATOM 0 HA ASP A 43 -1.588 -5.817 -3.968 1.00 5.23 H new ATOM 0 HB2 ASP A 43 0.114 -6.998 -2.618 1.00 41.11 H new ATOM 0 HB3 ASP A 43 -1.126 -7.984 -1.869 1.00 41.11 H new ATOM 697 N LYS A 44 -3.371 -7.612 -4.601 1.00 54.22 N ATOM 698 CA LYS A 44 -4.611 -8.235 -5.089 1.00 20.50 C ATOM 699 C LYS A 44 -5.198 -9.268 -4.102 1.00 52.42 C ATOM 700 O LYS A 44 -6.412 -9.471 -4.057 1.00 43.45 O ATOM 701 CB LYS A 44 -4.326 -8.911 -6.434 1.00 1.24 C ATOM 702 CG LYS A 44 -3.855 -7.942 -7.519 1.00 5.04 C ATOM 703 CD LYS A 44 -3.047 -8.628 -8.626 1.00 23.32 C ATOM 704 CE LYS A 44 -3.809 -9.759 -9.321 1.00 73.34 C ATOM 705 NZ LYS A 44 -3.798 -11.023 -8.536 1.00 63.45 N ATOM 0 H LYS A 44 -2.595 -7.677 -5.259 1.00 54.22 H new ATOM 0 HA LYS A 44 -5.356 -7.447 -5.196 1.00 20.50 H new ATOM 0 HB2 LYS A 44 -3.567 -9.680 -6.291 1.00 1.24 H new ATOM 0 HB3 LYS A 44 -5.230 -9.415 -6.776 1.00 1.24 H new ATOM 0 HG2 LYS A 44 -4.722 -7.451 -7.961 1.00 5.04 H new ATOM 0 HG3 LYS A 44 -3.246 -7.162 -7.062 1.00 5.04 H new ATOM 0 HD2 LYS A 44 -2.758 -7.885 -9.369 1.00 23.32 H new ATOM 0 HD3 LYS A 44 -2.127 -9.028 -8.200 1.00 23.32 H new ATOM 0 HE2 LYS A 44 -4.840 -9.448 -9.488 1.00 73.34 H new ATOM 0 HE3 LYS A 44 -3.368 -9.940 -10.301 1.00 73.34 H new ATOM 0 HZ1 LYS A 44 -3.724 -11.833 -9.184 1.00 63.45 H new ATOM 0 HZ2 LYS A 44 -2.984 -11.022 -7.888 1.00 63.45 H new ATOM 0 HZ3 LYS A 44 -4.678 -11.098 -7.986 1.00 63.45 H new ATOM 719 N ASP A 45 -4.337 -9.931 -3.330 1.00 1.43 N ATOM 720 CA ASP A 45 -4.787 -10.961 -2.379 1.00 64.12 C ATOM 721 C ASP A 45 -4.985 -10.408 -0.950 1.00 74.11 C ATOM 722 O ASP A 45 -5.230 -11.167 -0.005 1.00 72.03 O ATOM 723 CB ASP A 45 -3.798 -12.131 -2.373 1.00 3.20 C ATOM 724 CG ASP A 45 -3.713 -12.807 -3.732 1.00 40.54 C ATOM 725 OD1 ASP A 45 -4.713 -13.427 -4.156 1.00 64.32 O ATOM 726 OD2 ASP A 45 -2.657 -12.717 -4.388 1.00 23.41 O ATOM 0 H ASP A 45 -3.329 -9.778 -3.340 1.00 1.43 H new ATOM 0 HA ASP A 45 -5.764 -11.310 -2.715 1.00 64.12 H new ATOM 0 HB2 ASP A 45 -2.811 -11.771 -2.084 1.00 3.20 H new ATOM 0 HB3 ASP A 45 -4.103 -12.861 -1.623 1.00 3.20 H new ATOM 731 N GLY A 46 -4.904 -9.087 -0.801 1.00 70.43 N ATOM 732 CA GLY A 46 -5.124 -8.453 0.502 1.00 4.24 C ATOM 733 C GLY A 46 -3.853 -8.327 1.338 1.00 11.44 C ATOM 734 O GLY A 46 -3.914 -8.111 2.553 1.00 75.25 O ATOM 0 H GLY A 46 -4.690 -8.438 -1.558 1.00 70.43 H new ATOM 0 HA2 GLY A 46 -5.548 -7.461 0.348 1.00 4.24 H new ATOM 0 HA3 GLY A 46 -5.861 -9.032 1.059 1.00 4.24 H new ATOM 738 N LYS A 47 -2.702 -8.455 0.689 1.00 61.53 N ATOM 739 CA LYS A 47 -1.408 -8.342 1.370 1.00 32.31 C ATOM 740 C LYS A 47 -1.019 -6.869 1.562 1.00 53.42 C ATOM 741 O LYS A 47 -1.127 -6.068 0.635 1.00 52.12 O ATOM 742 CB LYS A 47 -0.334 -9.083 0.566 1.00 74.52 C ATOM 743 CG LYS A 47 -0.674 -10.551 0.308 1.00 2.33 C ATOM 744 CD LYS A 47 -0.757 -11.349 1.608 1.00 43.24 C ATOM 745 CE LYS A 47 -1.209 -12.784 1.368 1.00 43.55 C ATOM 746 NZ LYS A 47 -1.184 -13.588 2.620 1.00 35.04 N ATOM 0 H LYS A 47 -2.633 -8.638 -0.312 1.00 61.53 H new ATOM 0 HA LYS A 47 -1.490 -8.797 2.357 1.00 32.31 H new ATOM 0 HB2 LYS A 47 -0.192 -8.577 -0.389 1.00 74.52 H new ATOM 0 HB3 LYS A 47 0.614 -9.026 1.101 1.00 74.52 H new ATOM 0 HG2 LYS A 47 -1.625 -10.617 -0.221 1.00 2.33 H new ATOM 0 HG3 LYS A 47 0.083 -10.991 -0.341 1.00 2.33 H new ATOM 0 HD2 LYS A 47 0.219 -11.353 2.094 1.00 43.24 H new ATOM 0 HD3 LYS A 47 -1.452 -10.859 2.290 1.00 43.24 H new ATOM 0 HE2 LYS A 47 -2.218 -12.783 0.957 1.00 43.55 H new ATOM 0 HE3 LYS A 47 -0.562 -13.249 0.624 1.00 43.55 H new ATOM 0 HZ1 LYS A 47 -1.498 -14.558 2.416 1.00 35.04 H new ATOM 0 HZ2 LYS A 47 -0.216 -13.610 2.999 1.00 35.04 H new ATOM 0 HZ3 LYS A 47 -1.821 -13.158 3.321 1.00 35.04 H new ATOM 760 N GLU A 48 -0.564 -6.518 2.761 1.00 71.13 N ATOM 761 CA GLU A 48 -0.281 -5.116 3.097 1.00 4.23 C ATOM 762 C GLU A 48 1.210 -4.768 2.942 1.00 44.34 C ATOM 763 O GLU A 48 2.092 -5.578 3.239 1.00 72.13 O ATOM 764 CB GLU A 48 -0.734 -4.822 4.535 1.00 43.24 C ATOM 765 CG GLU A 48 0.066 -5.572 5.598 1.00 44.22 C ATOM 766 CD GLU A 48 -0.439 -5.319 7.008 1.00 2.44 C ATOM 767 OE1 GLU A 48 -0.265 -4.191 7.516 1.00 35.12 O ATOM 768 OE2 GLU A 48 -1.011 -6.248 7.615 1.00 1.34 O ATOM 0 H GLU A 48 -0.382 -7.178 3.517 1.00 71.13 H new ATOM 0 HA GLU A 48 -0.838 -4.495 2.395 1.00 4.23 H new ATOM 0 HB2 GLU A 48 -0.652 -3.751 4.720 1.00 43.24 H new ATOM 0 HB3 GLU A 48 -1.788 -5.083 4.635 1.00 43.24 H new ATOM 0 HG2 GLU A 48 0.024 -6.641 5.389 1.00 44.22 H new ATOM 0 HG3 GLU A 48 1.113 -5.275 5.534 1.00 44.22 H new ATOM 775 N LYS A 49 1.477 -3.558 2.453 1.00 3.32 N ATOM 776 CA LYS A 49 2.842 -3.031 2.358 1.00 3.50 C ATOM 777 C LYS A 49 2.845 -1.500 2.519 1.00 42.02 C ATOM 778 O LYS A 49 2.609 -0.767 1.559 1.00 55.02 O ATOM 779 CB LYS A 49 3.463 -3.426 1.013 1.00 13.52 C ATOM 780 CG LYS A 49 4.919 -3.001 0.855 1.00 11.53 C ATOM 781 CD LYS A 49 5.503 -3.475 -0.470 1.00 34.43 C ATOM 782 CE LYS A 49 5.446 -4.992 -0.602 1.00 32.11 C ATOM 783 NZ LYS A 49 6.266 -5.682 0.431 1.00 53.14 N ATOM 0 H LYS A 49 0.760 -2.917 2.113 1.00 3.32 H new ATOM 0 HA LYS A 49 3.438 -3.460 3.163 1.00 3.50 H new ATOM 0 HB2 LYS A 49 3.396 -4.508 0.897 1.00 13.52 H new ATOM 0 HB3 LYS A 49 2.876 -2.982 0.209 1.00 13.52 H new ATOM 0 HG2 LYS A 49 4.990 -1.915 0.916 1.00 11.53 H new ATOM 0 HG3 LYS A 49 5.508 -3.406 1.678 1.00 11.53 H new ATOM 0 HD2 LYS A 49 4.955 -3.017 -1.293 1.00 34.43 H new ATOM 0 HD3 LYS A 49 6.538 -3.141 -0.552 1.00 34.43 H new ATOM 0 HE2 LYS A 49 4.411 -5.323 -0.521 1.00 32.11 H new ATOM 0 HE3 LYS A 49 5.796 -5.281 -1.593 1.00 32.11 H new ATOM 0 HZ1 LYS A 49 6.292 -6.702 0.230 1.00 53.14 H new ATOM 0 HZ2 LYS A 49 7.234 -5.302 0.417 1.00 53.14 H new ATOM 0 HZ3 LYS A 49 5.846 -5.525 1.369 1.00 53.14 H new ATOM 797 N GLU A 50 3.092 -1.018 3.738 1.00 70.21 N ATOM 798 CA GLU A 50 3.036 0.425 4.015 1.00 35.30 C ATOM 799 C GLU A 50 4.291 1.158 3.518 1.00 40.43 C ATOM 800 O GLU A 50 5.419 0.712 3.738 1.00 73.23 O ATOM 801 CB GLU A 50 2.855 0.689 5.517 1.00 24.35 C ATOM 802 CG GLU A 50 2.738 2.174 5.862 1.00 41.15 C ATOM 803 CD GLU A 50 2.663 2.434 7.358 1.00 13.12 C ATOM 804 OE1 GLU A 50 3.729 2.530 8.003 1.00 32.02 O ATOM 805 OE2 GLU A 50 1.541 2.548 7.894 1.00 31.31 O ATOM 0 H GLU A 50 3.331 -1.596 4.544 1.00 70.21 H new ATOM 0 HA GLU A 50 2.175 0.813 3.471 1.00 35.30 H new ATOM 0 HB2 GLU A 50 1.961 0.171 5.864 1.00 24.35 H new ATOM 0 HB3 GLU A 50 3.700 0.263 6.058 1.00 24.35 H new ATOM 0 HG2 GLU A 50 3.596 2.706 5.449 1.00 41.15 H new ATOM 0 HG3 GLU A 50 1.849 2.583 5.383 1.00 41.15 H new ATOM 812 N LEU A 51 4.079 2.300 2.869 1.00 64.42 N ATOM 813 CA LEU A 51 5.174 3.128 2.358 1.00 55.52 C ATOM 814 C LEU A 51 4.815 4.621 2.449 1.00 11.31 C ATOM 815 O LEU A 51 3.654 4.984 2.652 1.00 31.15 O ATOM 816 CB LEU A 51 5.524 2.751 0.903 1.00 4.25 C ATOM 817 CG LEU A 51 4.452 3.057 -0.163 1.00 53.01 C ATOM 818 CD1 LEU A 51 5.030 2.875 -1.565 1.00 31.31 C ATOM 819 CD2 LEU A 51 3.218 2.173 0.017 1.00 55.43 C ATOM 0 H LEU A 51 3.150 2.678 2.682 1.00 64.42 H new ATOM 0 HA LEU A 51 6.050 2.941 2.979 1.00 55.52 H new ATOM 0 HB2 LEU A 51 6.440 3.273 0.626 1.00 4.25 H new ATOM 0 HB3 LEU A 51 5.743 1.684 0.870 1.00 4.25 H new ATOM 0 HG LEU A 51 4.144 4.095 -0.037 1.00 53.01 H new ATOM 0 HD11 LEU A 51 4.262 3.094 -2.307 1.00 31.31 H new ATOM 0 HD12 LEU A 51 5.872 3.554 -1.703 1.00 31.31 H new ATOM 0 HD13 LEU A 51 5.370 1.847 -1.688 1.00 31.31 H new ATOM 0 HD21 LEU A 51 2.482 2.414 -0.750 1.00 55.43 H new ATOM 0 HD22 LEU A 51 3.505 1.125 -0.072 1.00 55.43 H new ATOM 0 HD23 LEU A 51 2.786 2.348 1.002 1.00 55.43 H new ATOM 831 N GLU A 52 5.813 5.483 2.306 1.00 31.24 N ATOM 832 CA GLU A 52 5.598 6.933 2.355 1.00 71.25 C ATOM 833 C GLU A 52 6.523 7.674 1.379 1.00 13.45 C ATOM 834 O GLU A 52 7.674 7.289 1.172 1.00 44.14 O ATOM 835 CB GLU A 52 5.758 7.469 3.797 1.00 34.41 C ATOM 836 CG GLU A 52 6.907 6.854 4.606 1.00 13.35 C ATOM 837 CD GLU A 52 8.292 7.255 4.119 1.00 3.45 C ATOM 838 OE1 GLU A 52 8.620 8.461 4.165 1.00 31.31 O ATOM 839 OE2 GLU A 52 9.072 6.362 3.717 1.00 45.54 O ATOM 0 H GLU A 52 6.783 5.208 2.155 1.00 31.24 H new ATOM 0 HA GLU A 52 4.573 7.125 2.038 1.00 71.25 H new ATOM 0 HB2 GLU A 52 5.906 8.548 3.751 1.00 34.41 H new ATOM 0 HB3 GLU A 52 4.826 7.298 4.335 1.00 34.41 H new ATOM 0 HG2 GLU A 52 6.801 7.149 5.650 1.00 13.35 H new ATOM 0 HG3 GLU A 52 6.821 5.768 4.571 1.00 13.35 H new ATOM 846 N PHE A 53 5.999 8.728 0.763 1.00 2.50 N ATOM 847 CA PHE A 53 6.768 9.527 -0.193 1.00 50.41 C ATOM 848 C PHE A 53 6.380 11.010 -0.124 1.00 55.53 C ATOM 849 O PHE A 53 5.241 11.356 0.199 1.00 52.23 O ATOM 850 CB PHE A 53 6.571 8.984 -1.620 1.00 72.15 C ATOM 851 CG PHE A 53 5.123 8.844 -2.030 1.00 31.31 C ATOM 852 CD1 PHE A 53 4.412 7.687 -1.733 1.00 15.14 C ATOM 853 CD2 PHE A 53 4.472 9.864 -2.712 1.00 63.45 C ATOM 854 CE1 PHE A 53 3.090 7.553 -2.106 1.00 11.31 C ATOM 855 CE2 PHE A 53 3.150 9.732 -3.086 1.00 73.13 C ATOM 856 CZ PHE A 53 2.459 8.574 -2.784 1.00 40.32 C ATOM 0 H PHE A 53 5.043 9.052 0.907 1.00 2.50 H new ATOM 0 HA PHE A 53 7.822 9.448 0.073 1.00 50.41 H new ATOM 0 HB2 PHE A 53 7.074 9.648 -2.323 1.00 72.15 H new ATOM 0 HB3 PHE A 53 7.056 8.011 -1.698 1.00 72.15 H new ATOM 0 HD1 PHE A 53 4.901 6.882 -1.203 1.00 15.14 H new ATOM 0 HD2 PHE A 53 5.007 10.771 -2.952 1.00 63.45 H new ATOM 0 HE1 PHE A 53 2.550 6.649 -1.867 1.00 11.31 H new ATOM 0 HE2 PHE A 53 2.656 10.534 -3.615 1.00 73.13 H new ATOM 0 HZ PHE A 53 1.425 8.469 -3.079 1.00 40.32 H new ATOM 866 N THR A 54 7.340 11.881 -0.423 1.00 73.21 N ATOM 867 CA THR A 54 7.121 13.332 -0.377 1.00 24.44 C ATOM 868 C THR A 54 6.773 13.912 -1.756 1.00 12.52 C ATOM 869 O THR A 54 7.255 13.443 -2.786 1.00 74.11 O ATOM 870 CB THR A 54 8.362 14.070 0.185 1.00 50.13 C ATOM 871 OG1 THR A 54 9.559 13.589 -0.452 1.00 24.22 O ATOM 872 CG2 THR A 54 8.476 13.880 1.697 1.00 1.03 C ATOM 0 H THR A 54 8.283 11.610 -0.702 1.00 73.21 H new ATOM 0 HA THR A 54 6.272 13.490 0.288 1.00 24.44 H new ATOM 0 HB THR A 54 8.242 15.133 -0.024 1.00 50.13 H new ATOM 0 HG1 THR A 54 10.336 14.064 -0.090 1.00 24.22 H new ATOM 0 HG21 THR A 54 9.356 14.408 2.065 1.00 1.03 H new ATOM 0 HG22 THR A 54 7.585 14.278 2.182 1.00 1.03 H new ATOM 0 HG23 THR A 54 8.569 12.818 1.924 1.00 1.03 H new ATOM 880 N ALA A 55 5.929 14.943 -1.759 1.00 41.21 N ATOM 881 CA ALA A 55 5.518 15.617 -2.995 1.00 14.40 C ATOM 882 C ALA A 55 5.642 17.143 -2.858 1.00 43.40 C ATOM 883 O ALA A 55 5.681 17.681 -1.749 1.00 23.43 O ATOM 884 CB ALA A 55 4.090 15.228 -3.367 1.00 32.14 C ATOM 0 H ALA A 55 5.513 15.334 -0.914 1.00 41.21 H new ATOM 0 HA ALA A 55 6.185 15.294 -3.794 1.00 14.40 H new ATOM 0 HB1 ALA A 55 3.802 15.737 -4.287 1.00 32.14 H new ATOM 0 HB2 ALA A 55 4.034 14.150 -3.517 1.00 32.14 H new ATOM 0 HB3 ALA A 55 3.413 15.519 -2.564 1.00 32.14 H new ATOM 890 N GLN A 56 5.692 17.834 -3.995 1.00 1.42 N ATOM 891 CA GLN A 56 5.890 19.293 -4.017 1.00 43.12 C ATOM 892 C GLN A 56 4.554 20.049 -3.920 1.00 41.31 C ATOM 893 O GLN A 56 4.530 21.276 -3.783 1.00 65.41 O ATOM 894 CB GLN A 56 6.590 19.699 -5.325 1.00 34.40 C ATOM 895 CG GLN A 56 7.695 18.748 -5.776 1.00 45.30 C ATOM 896 CD GLN A 56 8.268 19.121 -7.137 1.00 33.53 C ATOM 897 OE1 GLN A 56 9.251 19.845 -7.232 1.00 71.41 O ATOM 898 NE2 GLN A 56 7.639 18.659 -8.200 1.00 4.32 N ATOM 0 H GLN A 56 5.598 17.411 -4.919 1.00 1.42 H new ATOM 0 HA GLN A 56 6.502 19.556 -3.154 1.00 43.12 H new ATOM 0 HB2 GLN A 56 5.843 19.768 -6.116 1.00 34.40 H new ATOM 0 HB3 GLN A 56 7.014 20.695 -5.200 1.00 34.40 H new ATOM 0 HG2 GLN A 56 8.495 18.750 -5.036 1.00 45.30 H new ATOM 0 HG3 GLN A 56 7.301 17.733 -5.817 1.00 45.30 H new ATOM 0 HE21 GLN A 56 6.823 18.058 -8.088 1.00 4.32 H new ATOM 0 HE22 GLN A 56 7.969 18.903 -9.134 1.00 4.32 H new ATOM 907 N LYS A 57 3.448 19.315 -3.988 1.00 13.42 N ATOM 908 CA LYS A 57 2.126 19.923 -4.169 1.00 0.53 C ATOM 909 C LYS A 57 1.033 19.136 -3.424 1.00 41.34 C ATOM 910 O LYS A 57 1.139 17.920 -3.263 1.00 45.12 O ATOM 911 CB LYS A 57 1.803 19.946 -5.675 1.00 5.05 C ATOM 912 CG LYS A 57 0.728 20.944 -6.088 1.00 25.41 C ATOM 913 CD LYS A 57 1.236 22.380 -6.007 1.00 41.20 C ATOM 914 CE LYS A 57 0.312 23.351 -6.731 1.00 63.34 C ATOM 915 NZ LYS A 57 0.812 24.747 -6.655 1.00 12.40 N ATOM 0 H LYS A 57 3.437 18.297 -3.921 1.00 13.42 H new ATOM 0 HA LYS A 57 2.146 20.933 -3.759 1.00 0.53 H new ATOM 0 HB2 LYS A 57 2.717 20.172 -6.224 1.00 5.05 H new ATOM 0 HB3 LYS A 57 1.487 18.948 -5.979 1.00 5.05 H new ATOM 0 HG2 LYS A 57 0.403 20.729 -7.106 1.00 25.41 H new ATOM 0 HG3 LYS A 57 -0.144 20.829 -5.444 1.00 25.41 H new ATOM 0 HD2 LYS A 57 1.325 22.675 -4.962 1.00 41.20 H new ATOM 0 HD3 LYS A 57 2.234 22.437 -6.441 1.00 41.20 H new ATOM 0 HE2 LYS A 57 0.219 23.054 -7.776 1.00 63.34 H new ATOM 0 HE3 LYS A 57 -0.685 23.298 -6.295 1.00 63.34 H new ATOM 0 HZ1 LYS A 57 0.157 25.378 -7.159 1.00 12.40 H new ATOM 0 HZ2 LYS A 57 0.877 25.039 -5.659 1.00 12.40 H new ATOM 0 HZ3 LYS A 57 1.753 24.803 -7.094 1.00 12.40 H new ATOM 929 N ASN A 58 -0.010 19.833 -2.968 1.00 20.33 N ATOM 930 CA ASN A 58 -1.193 19.166 -2.409 1.00 64.45 C ATOM 931 C ASN A 58 -2.162 18.769 -3.535 1.00 43.20 C ATOM 932 O ASN A 58 -2.979 19.579 -3.986 1.00 53.24 O ATOM 933 CB ASN A 58 -1.904 20.068 -1.386 1.00 14.34 C ATOM 934 CG ASN A 58 -1.202 20.101 -0.038 1.00 22.32 C ATOM 935 OD1 ASN A 58 -0.608 19.117 0.394 1.00 64.42 O ATOM 936 ND2 ASN A 58 -1.266 21.232 0.643 1.00 53.01 N ATOM 0 H ASN A 58 -0.062 20.852 -2.973 1.00 20.33 H new ATOM 0 HA ASN A 58 -0.862 18.265 -1.893 1.00 64.45 H new ATOM 0 HB2 ASN A 58 -1.965 21.081 -1.783 1.00 14.34 H new ATOM 0 HB3 ASN A 58 -2.927 19.717 -1.249 1.00 14.34 H new ATOM 0 HD21 ASN A 58 -0.814 21.305 1.555 1.00 53.01 H new ATOM 0 HD22 ASN A 58 -1.767 22.032 0.257 1.00 53.01 H new ATOM 943 N LEU A 59 -2.050 17.526 -4.000 1.00 20.21 N ATOM 944 CA LEU A 59 -2.862 17.041 -5.124 1.00 64.34 C ATOM 945 C LEU A 59 -4.290 16.661 -4.681 1.00 63.45 C ATOM 946 O LEU A 59 -4.693 16.931 -3.548 1.00 53.50 O ATOM 947 CB LEU A 59 -2.143 15.868 -5.825 1.00 14.43 C ATOM 948 CG LEU A 59 -1.676 14.708 -4.921 1.00 4.42 C ATOM 949 CD1 LEU A 59 -2.833 13.784 -4.557 1.00 4.13 C ATOM 950 CD2 LEU A 59 -0.550 13.922 -5.591 1.00 61.21 C ATOM 0 H LEU A 59 -1.406 16.833 -3.618 1.00 20.21 H new ATOM 0 HA LEU A 59 -2.973 17.853 -5.843 1.00 64.34 H new ATOM 0 HB2 LEU A 59 -2.812 15.462 -6.583 1.00 14.43 H new ATOM 0 HB3 LEU A 59 -1.273 16.265 -6.348 1.00 14.43 H new ATOM 0 HG LEU A 59 -1.294 15.142 -3.997 1.00 4.42 H new ATOM 0 HD11 LEU A 59 -2.469 12.978 -3.920 1.00 4.13 H new ATOM 0 HD12 LEU A 59 -3.597 14.350 -4.025 1.00 4.13 H new ATOM 0 HD13 LEU A 59 -3.261 13.362 -5.466 1.00 4.13 H new ATOM 0 HD21 LEU A 59 -0.235 13.109 -4.937 1.00 61.21 H new ATOM 0 HD22 LEU A 59 -0.905 13.511 -6.536 1.00 61.21 H new ATOM 0 HD23 LEU A 59 0.295 14.585 -5.778 1.00 61.21 H new ATOM 962 N ARG A 60 -5.052 16.037 -5.579 1.00 45.33 N ATOM 963 CA ARG A 60 -6.465 15.725 -5.313 1.00 12.52 C ATOM 964 C ARG A 60 -6.631 14.727 -4.152 1.00 45.50 C ATOM 965 O ARG A 60 -6.291 13.550 -4.274 1.00 30.15 O ATOM 966 CB ARG A 60 -7.155 15.176 -6.577 1.00 61.23 C ATOM 967 CG ARG A 60 -7.345 16.205 -7.695 1.00 21.11 C ATOM 968 CD ARG A 60 -6.042 16.524 -8.424 1.00 21.13 C ATOM 969 NE ARG A 60 -6.207 17.587 -9.412 1.00 32.50 N ATOM 970 CZ ARG A 60 -5.317 17.880 -10.322 1.00 21.24 C ATOM 971 NH1 ARG A 60 -4.273 17.135 -10.489 1.00 0.10 N ATOM 972 NH2 ARG A 60 -5.494 18.902 -11.096 1.00 23.12 N ATOM 0 H ARG A 60 -4.720 15.736 -6.496 1.00 45.33 H new ATOM 0 HA ARG A 60 -6.943 16.660 -5.021 1.00 12.52 H new ATOM 0 HB2 ARG A 60 -6.568 14.343 -6.963 1.00 61.23 H new ATOM 0 HB3 ARG A 60 -8.130 14.777 -6.299 1.00 61.23 H new ATOM 0 HG2 ARG A 60 -8.075 15.828 -8.411 1.00 21.11 H new ATOM 0 HG3 ARG A 60 -7.756 17.123 -7.274 1.00 21.11 H new ATOM 0 HD2 ARG A 60 -5.285 16.820 -7.698 1.00 21.13 H new ATOM 0 HD3 ARG A 60 -5.675 15.625 -8.919 1.00 21.13 H new ATOM 0 HE ARG A 60 -7.068 18.133 -9.390 1.00 32.50 H new ATOM 0 HH11 ARG A 60 -4.138 16.308 -9.907 1.00 0.10 H new ATOM 0 HH12 ARG A 60 -3.585 17.374 -11.203 1.00 0.10 H new ATOM 0 HH21 ARG A 60 -6.329 19.479 -10.996 1.00 23.12 H new ATOM 0 HH22 ARG A 60 -4.799 19.130 -11.806 1.00 23.12 H new ATOM 986 N LYS A 61 -7.158 15.210 -3.025 1.00 2.51 N ATOM 987 CA LYS A 61 -7.427 14.350 -1.865 1.00 43.22 C ATOM 988 C LYS A 61 -8.454 13.253 -2.204 1.00 3.21 C ATOM 989 O LYS A 61 -9.318 13.440 -3.066 1.00 3.41 O ATOM 990 CB LYS A 61 -7.916 15.192 -0.676 1.00 71.00 C ATOM 991 CG LYS A 61 -9.215 15.953 -0.939 1.00 74.10 C ATOM 992 CD LYS A 61 -9.659 16.795 0.262 1.00 22.34 C ATOM 993 CE LYS A 61 -8.826 18.066 0.443 1.00 44.50 C ATOM 994 NZ LYS A 61 -7.411 17.788 0.805 1.00 73.11 N ATOM 0 H LYS A 61 -7.407 16.190 -2.889 1.00 2.51 H new ATOM 0 HA LYS A 61 -6.493 13.859 -1.590 1.00 43.22 H new ATOM 0 HB2 LYS A 61 -8.059 14.537 0.184 1.00 71.00 H new ATOM 0 HB3 LYS A 61 -7.138 15.906 -0.407 1.00 71.00 H new ATOM 0 HG2 LYS A 61 -9.082 16.603 -1.804 1.00 74.10 H new ATOM 0 HG3 LYS A 61 -10.003 15.243 -1.191 1.00 74.10 H new ATOM 0 HD2 LYS A 61 -10.707 17.069 0.139 1.00 22.34 H new ATOM 0 HD3 LYS A 61 -9.591 16.191 1.167 1.00 22.34 H new ATOM 0 HE2 LYS A 61 -8.852 18.645 -0.480 1.00 44.50 H new ATOM 0 HE3 LYS A 61 -9.279 18.683 1.219 1.00 44.50 H new ATOM 0 HZ1 LYS A 61 -7.057 18.542 1.428 1.00 73.11 H new ATOM 0 HZ2 LYS A 61 -7.352 16.875 1.299 1.00 73.11 H new ATOM 0 HZ3 LYS A 61 -6.832 17.752 -0.058 1.00 73.11 H new ATOM 1008 N GLU A 62 -8.329 12.104 -1.536 1.00 62.11 N ATOM 1009 CA GLU A 62 -9.191 10.929 -1.776 1.00 64.44 C ATOM 1010 C GLU A 62 -8.911 10.243 -3.135 1.00 51.14 C ATOM 1011 O GLU A 62 -9.264 9.076 -3.327 1.00 44.14 O ATOM 1012 CB GLU A 62 -10.684 11.299 -1.659 1.00 60.20 C ATOM 1013 CG GLU A 62 -11.623 10.101 -1.793 1.00 71.44 C ATOM 1014 CD GLU A 62 -13.075 10.444 -1.508 1.00 14.43 C ATOM 1015 OE1 GLU A 62 -13.468 10.437 -0.324 1.00 53.03 O ATOM 1016 OE2 GLU A 62 -13.834 10.713 -2.463 1.00 14.03 O ATOM 0 H GLU A 62 -7.628 11.955 -0.810 1.00 62.11 H new ATOM 0 HA GLU A 62 -8.943 10.208 -0.997 1.00 64.44 H new ATOM 0 HB2 GLU A 62 -10.856 11.779 -0.696 1.00 60.20 H new ATOM 0 HB3 GLU A 62 -10.930 12.031 -2.429 1.00 60.20 H new ATOM 0 HG2 GLU A 62 -11.543 9.696 -2.802 1.00 71.44 H new ATOM 0 HG3 GLU A 62 -11.301 9.316 -1.108 1.00 71.44 H new ATOM 1023 N ALA A 63 -8.268 10.952 -4.069 1.00 71.32 N ATOM 1024 CA ALA A 63 -7.924 10.376 -5.376 1.00 15.55 C ATOM 1025 C ALA A 63 -6.827 9.309 -5.242 1.00 3.15 C ATOM 1026 O ALA A 63 -6.192 9.185 -4.193 1.00 0.54 O ATOM 1027 CB ALA A 63 -7.492 11.470 -6.346 1.00 52.45 C ATOM 0 H ALA A 63 -7.976 11.922 -3.946 1.00 71.32 H new ATOM 0 HA ALA A 63 -8.816 9.891 -5.774 1.00 15.55 H new ATOM 0 HB1 ALA A 63 -7.241 11.024 -7.309 1.00 52.45 H new ATOM 0 HB2 ALA A 63 -8.306 12.182 -6.477 1.00 52.45 H new ATOM 0 HB3 ALA A 63 -6.619 11.986 -5.947 1.00 52.45 H new ATOM 1033 N PHE A 64 -6.599 8.552 -6.312 1.00 3.51 N ATOM 1034 CA PHE A 64 -5.667 7.421 -6.267 1.00 31.11 C ATOM 1035 C PHE A 64 -4.315 7.755 -6.913 1.00 5.14 C ATOM 1036 O PHE A 64 -4.235 8.503 -7.890 1.00 64.35 O ATOM 1037 CB PHE A 64 -6.284 6.200 -6.962 1.00 1.13 C ATOM 1038 CG PHE A 64 -7.542 5.691 -6.302 1.00 72.30 C ATOM 1039 CD1 PHE A 64 -8.773 6.267 -6.584 1.00 42.31 C ATOM 1040 CD2 PHE A 64 -7.493 4.637 -5.400 1.00 62.42 C ATOM 1041 CE1 PHE A 64 -9.925 5.802 -5.980 1.00 32.11 C ATOM 1042 CE2 PHE A 64 -8.645 4.170 -4.794 1.00 64.52 C ATOM 1043 CZ PHE A 64 -9.861 4.753 -5.085 1.00 2.13 C ATOM 0 H PHE A 64 -7.043 8.697 -7.219 1.00 3.51 H new ATOM 0 HA PHE A 64 -5.484 7.196 -5.216 1.00 31.11 H new ATOM 0 HB2 PHE A 64 -6.507 6.458 -7.997 1.00 1.13 H new ATOM 0 HB3 PHE A 64 -5.547 5.397 -6.986 1.00 1.13 H new ATOM 0 HD1 PHE A 64 -8.831 7.088 -7.283 1.00 42.31 H new ATOM 0 HD2 PHE A 64 -6.544 4.176 -5.169 1.00 62.42 H new ATOM 0 HE1 PHE A 64 -10.876 6.259 -6.208 1.00 32.11 H new ATOM 0 HE2 PHE A 64 -8.593 3.350 -4.094 1.00 64.52 H new ATOM 0 HZ PHE A 64 -10.762 4.389 -4.613 1.00 2.13 H new ATOM 1053 N LEU A 65 -3.255 7.194 -6.351 1.00 31.12 N ATOM 1054 CA LEU A 65 -1.909 7.312 -6.907 1.00 45.24 C ATOM 1055 C LEU A 65 -1.377 5.938 -7.333 1.00 21.24 C ATOM 1056 O LEU A 65 -1.314 5.006 -6.529 1.00 0.31 O ATOM 1057 CB LEU A 65 -0.959 7.950 -5.880 1.00 3.44 C ATOM 1058 CG LEU A 65 -1.164 9.455 -5.634 1.00 61.23 C ATOM 1059 CD1 LEU A 65 -0.276 9.945 -4.495 1.00 74.00 C ATOM 1060 CD2 LEU A 65 -0.875 10.243 -6.907 1.00 43.34 C ATOM 0 H LEU A 65 -3.301 6.642 -5.494 1.00 31.12 H new ATOM 0 HA LEU A 65 -1.959 7.953 -7.787 1.00 45.24 H new ATOM 0 HB2 LEU A 65 -1.073 7.426 -4.931 1.00 3.44 H new ATOM 0 HB3 LEU A 65 0.067 7.790 -6.212 1.00 3.44 H new ATOM 0 HG LEU A 65 -2.204 9.616 -5.349 1.00 61.23 H new ATOM 0 HD11 LEU A 65 -0.439 11.012 -4.340 1.00 74.00 H new ATOM 0 HD12 LEU A 65 -0.524 9.404 -3.582 1.00 74.00 H new ATOM 0 HD13 LEU A 65 0.770 9.770 -4.748 1.00 74.00 H new ATOM 0 HD21 LEU A 65 -1.024 11.306 -6.719 1.00 43.34 H new ATOM 0 HD22 LEU A 65 0.156 10.070 -7.216 1.00 43.34 H new ATOM 0 HD23 LEU A 65 -1.550 9.917 -7.698 1.00 43.34 H new ATOM 1072 N ARG A 66 -1.015 5.813 -8.606 1.00 65.22 N ATOM 1073 CA ARG A 66 -0.400 4.588 -9.121 1.00 62.51 C ATOM 1074 C ARG A 66 1.096 4.581 -8.776 1.00 1.20 C ATOM 1075 O ARG A 66 1.936 5.019 -9.566 1.00 43.21 O ATOM 1076 CB ARG A 66 -0.621 4.491 -10.641 1.00 12.22 C ATOM 1077 CG ARG A 66 -0.197 3.161 -11.265 1.00 33.42 C ATOM 1078 CD ARG A 66 -0.543 3.109 -12.754 1.00 23.30 C ATOM 1079 NE ARG A 66 -0.189 1.827 -13.363 1.00 41.42 N ATOM 1080 CZ ARG A 66 -0.719 1.365 -14.466 1.00 22.24 C ATOM 1081 NH1 ARG A 66 -1.644 2.023 -15.086 1.00 41.13 N ATOM 1082 NH2 ARG A 66 -0.324 0.234 -14.939 1.00 41.03 N ATOM 0 H ARG A 66 -1.136 6.546 -9.305 1.00 65.22 H new ATOM 0 HA ARG A 66 -0.865 3.718 -8.656 1.00 62.51 H new ATOM 0 HB2 ARG A 66 -1.678 4.655 -10.852 1.00 12.22 H new ATOM 0 HB3 ARG A 66 -0.070 5.297 -11.127 1.00 12.22 H new ATOM 0 HG2 ARG A 66 0.876 3.021 -11.134 1.00 33.42 H new ATOM 0 HG3 ARG A 66 -0.691 2.340 -10.746 1.00 33.42 H new ATOM 0 HD2 ARG A 66 -1.611 3.287 -12.883 1.00 23.30 H new ATOM 0 HD3 ARG A 66 -0.021 3.912 -13.274 1.00 23.30 H new ATOM 0 HE ARG A 66 0.517 1.256 -12.897 1.00 41.42 H new ATOM 0 HH11 ARG A 66 -1.970 2.916 -14.716 1.00 41.13 H new ATOM 0 HH12 ARG A 66 -2.047 1.649 -15.945 1.00 41.13 H new ATOM 0 HH21 ARG A 66 0.399 -0.297 -14.454 1.00 41.03 H new ATOM 0 HH22 ARG A 66 -0.734 -0.130 -15.799 1.00 41.03 H new ATOM 1096 N VAL A 67 1.406 4.127 -7.562 1.00 30.43 N ATOM 1097 CA VAL A 67 2.769 4.182 -7.018 1.00 4.45 C ATOM 1098 C VAL A 67 3.555 2.902 -7.293 1.00 71.51 C ATOM 1099 O VAL A 67 3.134 1.798 -6.940 1.00 25.34 O ATOM 1100 CB VAL A 67 2.749 4.444 -5.489 1.00 13.13 C ATOM 1101 CG1 VAL A 67 4.168 4.588 -4.938 1.00 42.33 C ATOM 1102 CG2 VAL A 67 1.910 5.677 -5.162 1.00 12.12 C ATOM 0 H VAL A 67 0.724 3.711 -6.927 1.00 30.43 H new ATOM 0 HA VAL A 67 3.267 5.008 -7.526 1.00 4.45 H new ATOM 0 HB VAL A 67 2.289 3.582 -5.006 1.00 13.13 H new ATOM 0 HG11 VAL A 67 4.125 4.771 -3.864 1.00 42.33 H new ATOM 0 HG12 VAL A 67 4.727 3.671 -5.128 1.00 42.33 H new ATOM 0 HG13 VAL A 67 4.666 5.424 -5.429 1.00 42.33 H new ATOM 0 HG21 VAL A 67 1.910 5.842 -4.085 1.00 12.12 H new ATOM 0 HG22 VAL A 67 2.333 6.548 -5.662 1.00 12.12 H new ATOM 0 HG23 VAL A 67 0.887 5.523 -5.505 1.00 12.12 H new ATOM 1112 N TYR A 68 4.707 3.079 -7.923 1.00 32.50 N ATOM 1113 CA TYR A 68 5.621 1.981 -8.219 1.00 30.10 C ATOM 1114 C TYR A 68 6.467 1.607 -6.984 1.00 3.32 C ATOM 1115 O TYR A 68 6.952 2.477 -6.256 1.00 54.15 O ATOM 1116 CB TYR A 68 6.514 2.379 -9.400 1.00 32.03 C ATOM 1117 CG TYR A 68 7.758 1.540 -9.538 1.00 32.13 C ATOM 1118 CD1 TYR A 68 7.711 0.263 -10.080 1.00 53.51 C ATOM 1119 CD2 TYR A 68 8.981 2.032 -9.120 1.00 24.31 C ATOM 1120 CE1 TYR A 68 8.856 -0.501 -10.197 1.00 70.25 C ATOM 1121 CE2 TYR A 68 10.128 1.278 -9.235 1.00 61.02 C ATOM 1122 CZ TYR A 68 10.063 0.014 -9.773 1.00 35.42 C ATOM 1123 OH TYR A 68 11.208 -0.740 -9.877 1.00 44.34 O ATOM 0 H TYR A 68 5.037 3.989 -8.245 1.00 32.50 H new ATOM 0 HA TYR A 68 5.042 1.097 -8.487 1.00 30.10 H new ATOM 0 HB2 TYR A 68 5.935 2.306 -10.321 1.00 32.03 H new ATOM 0 HB3 TYR A 68 6.803 3.424 -9.287 1.00 32.03 H new ATOM 0 HD1 TYR A 68 6.766 -0.139 -10.415 1.00 53.51 H new ATOM 0 HD2 TYR A 68 9.038 3.024 -8.696 1.00 24.31 H new ATOM 0 HE1 TYR A 68 8.806 -1.495 -10.618 1.00 70.25 H new ATOM 0 HE2 TYR A 68 11.075 1.678 -8.904 1.00 61.02 H new ATOM 0 HH TYR A 68 11.970 -0.227 -9.534 1.00 44.34 H new ATOM 1133 N HIS A 69 6.655 0.307 -6.773 1.00 20.14 N ATOM 1134 CA HIS A 69 7.324 -0.213 -5.574 1.00 45.30 C ATOM 1135 C HIS A 69 8.806 -0.567 -5.816 1.00 24.21 C ATOM 1136 O HIS A 69 9.140 -1.299 -6.747 1.00 63.41 O ATOM 1137 CB HIS A 69 6.567 -1.453 -5.074 1.00 0.32 C ATOM 1138 CG HIS A 69 7.318 -2.281 -4.070 1.00 73.12 C ATOM 1139 ND1 HIS A 69 7.718 -3.579 -4.315 1.00 4.12 N ATOM 1140 CD2 HIS A 69 7.734 -1.998 -2.811 1.00 41.51 C ATOM 1141 CE1 HIS A 69 8.340 -4.055 -3.259 1.00 41.35 C ATOM 1142 NE2 HIS A 69 8.366 -3.119 -2.334 1.00 65.21 N ATOM 0 H HIS A 69 6.351 -0.417 -7.423 1.00 20.14 H new ATOM 0 HA HIS A 69 7.310 0.577 -4.823 1.00 45.30 H new ATOM 0 HB2 HIS A 69 5.625 -1.133 -4.629 1.00 0.32 H new ATOM 0 HB3 HIS A 69 6.318 -2.080 -5.930 1.00 0.32 H new ATOM 0 HD1 HIS A 69 7.556 -4.091 -5.182 1.00 4.12 H new ATOM 0 HD2 HIS A 69 7.594 -1.066 -2.283 1.00 41.51 H new ATOM 0 HE1 HIS A 69 8.759 -5.046 -3.166 1.00 41.35 H new ATOM 1151 N SER A 70 9.680 -0.041 -4.953 1.00 32.05 N ATOM 1152 CA SER A 70 11.095 -0.444 -4.913 1.00 53.23 C ATOM 1153 C SER A 70 11.555 -0.632 -3.463 1.00 54.04 C ATOM 1154 O SER A 70 11.247 0.182 -2.603 1.00 2.40 O ATOM 1155 CB SER A 70 11.998 0.607 -5.577 1.00 71.21 C ATOM 1156 OG SER A 70 11.733 0.734 -6.962 1.00 23.13 O ATOM 0 H SER A 70 9.433 0.671 -4.266 1.00 32.05 H new ATOM 0 HA SER A 70 11.178 -1.383 -5.460 1.00 53.23 H new ATOM 0 HB2 SER A 70 11.851 1.571 -5.090 1.00 71.21 H new ATOM 0 HB3 SER A 70 13.043 0.332 -5.431 1.00 71.21 H new ATOM 0 HG SER A 70 10.796 0.989 -7.094 1.00 23.13 H new ATOM 1162 N ASP A 71 12.282 -1.705 -3.186 1.00 34.15 N ATOM 1163 CA ASP A 71 12.880 -1.893 -1.858 1.00 1.15 C ATOM 1164 C ASP A 71 14.212 -1.141 -1.737 1.00 22.01 C ATOM 1165 O ASP A 71 14.582 -0.681 -0.659 1.00 13.45 O ATOM 1166 CB ASP A 71 13.087 -3.379 -1.576 1.00 71.01 C ATOM 1167 CG ASP A 71 11.773 -4.125 -1.508 1.00 10.40 C ATOM 1168 OD1 ASP A 71 11.215 -4.442 -2.575 1.00 2.11 O ATOM 1169 OD2 ASP A 71 11.285 -4.386 -0.388 1.00 45.55 O ATOM 0 H ASP A 71 12.475 -2.455 -3.850 1.00 34.15 H new ATOM 0 HA ASP A 71 12.192 -1.483 -1.119 1.00 1.15 H new ATOM 0 HB2 ASP A 71 13.712 -3.814 -2.356 1.00 71.01 H new ATOM 0 HB3 ASP A 71 13.623 -3.499 -0.634 1.00 71.01 H new ATOM 1174 N LYS A 72 14.920 -1.012 -2.855 1.00 45.21 N ATOM 1175 CA LYS A 72 16.227 -0.351 -2.871 1.00 13.21 C ATOM 1176 C LYS A 72 16.094 1.179 -2.773 1.00 13.14 C ATOM 1177 O LYS A 72 16.810 1.826 -2.006 1.00 74.23 O ATOM 1178 CB LYS A 72 16.991 -0.738 -4.148 1.00 62.23 C ATOM 1179 CG LYS A 72 16.969 -2.236 -4.440 1.00 72.33 C ATOM 1180 CD LYS A 72 17.888 -2.633 -5.601 1.00 43.12 C ATOM 1181 CE LYS A 72 17.409 -2.096 -6.953 1.00 63.14 C ATOM 1182 NZ LYS A 72 17.625 -0.632 -7.104 1.00 43.14 N ATOM 0 H LYS A 72 14.613 -1.356 -3.765 1.00 45.21 H new ATOM 0 HA LYS A 72 16.784 -0.688 -1.997 1.00 13.21 H new ATOM 0 HB2 LYS A 72 16.560 -0.204 -4.995 1.00 62.23 H new ATOM 0 HB3 LYS A 72 18.026 -0.409 -4.057 1.00 62.23 H new ATOM 0 HG2 LYS A 72 17.269 -2.780 -3.544 1.00 72.33 H new ATOM 0 HG3 LYS A 72 15.948 -2.541 -4.671 1.00 72.33 H new ATOM 0 HD2 LYS A 72 18.894 -2.262 -5.404 1.00 43.12 H new ATOM 0 HD3 LYS A 72 17.953 -3.720 -5.650 1.00 43.12 H new ATOM 0 HE2 LYS A 72 17.933 -2.620 -7.753 1.00 63.14 H new ATOM 0 HE3 LYS A 72 16.348 -2.316 -7.070 1.00 63.14 H new ATOM 0 HZ1 LYS A 72 18.009 -0.433 -8.050 1.00 43.14 H new ATOM 0 HZ2 LYS A 72 16.720 -0.134 -6.986 1.00 43.14 H new ATOM 0 HZ3 LYS A 72 18.298 -0.304 -6.382 1.00 43.14 H new ATOM 1196 N LYS A 73 15.174 1.754 -3.549 1.00 61.14 N ATOM 1197 CA LYS A 73 14.992 3.217 -3.587 1.00 63.31 C ATOM 1198 C LYS A 73 13.612 3.646 -3.034 1.00 61.42 C ATOM 1199 O LYS A 73 13.252 4.821 -3.084 1.00 51.34 O ATOM 1200 CB LYS A 73 15.181 3.715 -5.039 1.00 63.22 C ATOM 1201 CG LYS A 73 16.046 4.972 -5.175 1.00 64.12 C ATOM 1202 CD LYS A 73 15.328 6.239 -4.713 1.00 74.54 C ATOM 1203 CE LYS A 73 16.243 7.460 -4.752 1.00 1.35 C ATOM 1204 NZ LYS A 73 16.901 7.629 -6.079 1.00 74.35 N ATOM 0 H LYS A 73 14.542 1.236 -4.160 1.00 61.14 H new ATOM 0 HA LYS A 73 15.743 3.673 -2.942 1.00 63.31 H new ATOM 0 HB2 LYS A 73 15.630 2.915 -5.628 1.00 63.22 H new ATOM 0 HB3 LYS A 73 14.201 3.916 -5.471 1.00 63.22 H new ATOM 0 HG2 LYS A 73 16.958 4.844 -4.592 1.00 64.12 H new ATOM 0 HG3 LYS A 73 16.347 5.090 -6.216 1.00 64.12 H new ATOM 0 HD2 LYS A 73 14.460 6.416 -5.348 1.00 74.54 H new ATOM 0 HD3 LYS A 73 14.957 6.096 -3.698 1.00 74.54 H new ATOM 0 HE2 LYS A 73 15.664 8.353 -4.519 1.00 1.35 H new ATOM 0 HE3 LYS A 73 17.006 7.365 -3.980 1.00 1.35 H new ATOM 0 HZ1 LYS A 73 17.361 8.561 -6.122 1.00 74.35 H new ATOM 0 HZ2 LYS A 73 17.615 6.884 -6.210 1.00 74.35 H new ATOM 0 HZ3 LYS A 73 16.187 7.560 -6.832 1.00 74.35 H new ATOM 1218 N GLY A 74 12.857 2.695 -2.488 1.00 22.41 N ATOM 1219 CA GLY A 74 11.537 2.998 -1.927 1.00 20.03 C ATOM 1220 C GLY A 74 10.480 3.323 -2.987 1.00 0.23 C ATOM 1221 O GLY A 74 9.714 2.449 -3.401 1.00 22.42 O ATOM 0 H GLY A 74 13.131 1.715 -2.421 1.00 22.41 H new ATOM 0 HA2 GLY A 74 11.198 2.146 -1.337 1.00 20.03 H new ATOM 0 HA3 GLY A 74 11.627 3.843 -1.244 1.00 20.03 H new ATOM 1225 N VAL A 75 10.448 4.577 -3.436 1.00 0.14 N ATOM 1226 CA VAL A 75 9.494 5.021 -4.463 1.00 24.10 C ATOM 1227 C VAL A 75 10.226 5.698 -5.632 1.00 45.45 C ATOM 1228 O VAL A 75 10.758 6.803 -5.495 1.00 63.00 O ATOM 1229 CB VAL A 75 8.444 6.005 -3.881 1.00 10.53 C ATOM 1230 CG1 VAL A 75 7.448 6.438 -4.960 1.00 13.23 C ATOM 1231 CG2 VAL A 75 7.717 5.379 -2.691 1.00 40.45 C ATOM 0 H VAL A 75 11.074 5.311 -3.105 1.00 0.14 H new ATOM 0 HA VAL A 75 8.977 4.131 -4.823 1.00 24.10 H new ATOM 0 HB VAL A 75 8.969 6.893 -3.529 1.00 10.53 H new ATOM 0 HG11 VAL A 75 6.722 7.127 -4.529 1.00 13.23 H new ATOM 0 HG12 VAL A 75 7.982 6.934 -5.771 1.00 13.23 H new ATOM 0 HG13 VAL A 75 6.930 5.562 -5.350 1.00 13.23 H new ATOM 0 HG21 VAL A 75 6.986 6.086 -2.299 1.00 40.45 H new ATOM 0 HG22 VAL A 75 7.207 4.471 -3.013 1.00 40.45 H new ATOM 0 HG23 VAL A 75 8.439 5.134 -1.912 1.00 40.45 H new ATOM 1241 N SER A 76 10.261 5.032 -6.783 1.00 44.25 N ATOM 1242 CA SER A 76 10.959 5.565 -7.963 1.00 4.21 C ATOM 1243 C SER A 76 10.031 6.411 -8.850 1.00 3.42 C ATOM 1244 O SER A 76 10.506 7.191 -9.681 1.00 1.33 O ATOM 1245 CB SER A 76 11.557 4.423 -8.794 1.00 63.43 C ATOM 1246 OG SER A 76 12.375 3.576 -7.999 1.00 71.13 O ATOM 0 H SER A 76 9.818 4.125 -6.930 1.00 44.25 H new ATOM 0 HA SER A 76 11.757 6.210 -7.596 1.00 4.21 H new ATOM 0 HB2 SER A 76 10.754 3.839 -9.243 1.00 63.43 H new ATOM 0 HB3 SER A 76 12.146 4.837 -9.612 1.00 63.43 H new ATOM 0 HG SER A 76 12.740 2.857 -8.556 1.00 71.13 H new ATOM 1252 N ALA A 77 8.713 6.245 -8.680 1.00 35.41 N ATOM 1253 CA ALA A 77 7.728 6.983 -9.484 1.00 64.30 C ATOM 1254 C ALA A 77 6.285 6.747 -9.007 1.00 2.44 C ATOM 1255 O ALA A 77 5.954 5.671 -8.507 1.00 25.21 O ATOM 1256 CB ALA A 77 7.846 6.592 -10.953 1.00 22.20 C ATOM 0 H ALA A 77 8.304 5.609 -7.996 1.00 35.41 H new ATOM 0 HA ALA A 77 7.950 8.043 -9.360 1.00 64.30 H new ATOM 0 HB1 ALA A 77 7.111 7.146 -11.537 1.00 22.20 H new ATOM 0 HB2 ALA A 77 8.848 6.828 -11.313 1.00 22.20 H new ATOM 0 HB3 ALA A 77 7.664 5.523 -11.061 1.00 22.20 H new ATOM 1262 N TRP A 78 5.439 7.764 -9.167 1.00 23.21 N ATOM 1263 CA TRP A 78 3.997 7.642 -8.911 1.00 4.55 C ATOM 1264 C TRP A 78 3.188 8.466 -9.927 1.00 52.10 C ATOM 1265 O TRP A 78 3.598 9.557 -10.333 1.00 33.42 O ATOM 1266 CB TRP A 78 3.641 8.067 -7.472 1.00 53.32 C ATOM 1267 CG TRP A 78 4.095 9.453 -7.087 1.00 44.30 C ATOM 1268 CD1 TRP A 78 5.209 9.773 -6.365 1.00 61.22 C ATOM 1269 CD2 TRP A 78 3.441 10.700 -7.380 1.00 14.11 C ATOM 1270 NE1 TRP A 78 5.292 11.134 -6.196 1.00 52.43 N ATOM 1271 CE2 TRP A 78 4.221 11.724 -6.810 1.00 13.12 C ATOM 1272 CE3 TRP A 78 2.277 11.050 -8.071 1.00 61.32 C ATOM 1273 CZ2 TRP A 78 3.875 13.070 -6.909 1.00 42.15 C ATOM 1274 CZ3 TRP A 78 1.934 12.385 -8.167 1.00 3.13 C ATOM 1275 CH2 TRP A 78 2.733 13.381 -7.591 1.00 54.21 C ATOM 0 H TRP A 78 5.728 8.692 -9.476 1.00 23.21 H new ATOM 0 HA TRP A 78 3.733 6.591 -9.027 1.00 4.55 H new ATOM 0 HB2 TRP A 78 2.560 8.008 -7.348 1.00 53.32 H new ATOM 0 HB3 TRP A 78 4.081 7.351 -6.778 1.00 53.32 H new ATOM 0 HD1 TRP A 78 5.923 9.059 -5.982 1.00 61.22 H new ATOM 0 HE1 TRP A 78 6.032 11.625 -5.694 1.00 52.43 H new ATOM 0 HE3 TRP A 78 1.657 10.290 -8.522 1.00 61.32 H new ATOM 0 HZ2 TRP A 78 4.487 13.840 -6.463 1.00 42.15 H new ATOM 0 HZ3 TRP A 78 1.035 12.665 -8.695 1.00 3.13 H new ATOM 0 HH2 TRP A 78 2.440 14.416 -7.688 1.00 54.21 H new ATOM 1286 N GLU A 79 2.044 7.932 -10.343 1.00 65.11 N ATOM 1287 CA GLU A 79 1.160 8.625 -11.288 1.00 24.13 C ATOM 1288 C GLU A 79 -0.180 8.978 -10.629 1.00 43.14 C ATOM 1289 O GLU A 79 -0.719 8.194 -9.852 1.00 43.40 O ATOM 1290 CB GLU A 79 0.900 7.749 -12.521 1.00 54.43 C ATOM 1291 CG GLU A 79 2.163 7.204 -13.188 1.00 31.21 C ATOM 1292 CD GLU A 79 3.104 8.291 -13.693 1.00 43.11 C ATOM 1293 OE1 GLU A 79 2.621 9.306 -14.238 1.00 23.32 O ATOM 1294 OE2 GLU A 79 4.339 8.120 -13.575 1.00 11.51 O ATOM 0 H GLU A 79 1.702 7.019 -10.042 1.00 65.11 H new ATOM 0 HA GLU A 79 1.659 9.545 -11.593 1.00 24.13 H new ATOM 0 HB2 GLU A 79 0.268 6.911 -12.229 1.00 54.43 H new ATOM 0 HB3 GLU A 79 0.340 8.331 -13.253 1.00 54.43 H new ATOM 0 HG2 GLU A 79 2.697 6.575 -12.476 1.00 31.21 H new ATOM 0 HG3 GLU A 79 1.876 6.566 -14.024 1.00 31.21 H new ATOM 1301 N GLU A 80 -0.718 10.149 -10.943 1.00 12.24 N ATOM 1302 CA GLU A 80 -2.021 10.565 -10.408 1.00 13.14 C ATOM 1303 C GLU A 80 -3.166 9.999 -11.263 1.00 64.22 C ATOM 1304 O GLU A 80 -3.262 10.288 -12.460 1.00 33.21 O ATOM 1305 CB GLU A 80 -2.127 12.096 -10.354 1.00 21.35 C ATOM 1306 CG GLU A 80 -3.367 12.590 -9.607 1.00 63.20 C ATOM 1307 CD GLU A 80 -3.657 14.063 -9.850 1.00 11.33 C ATOM 1308 OE1 GLU A 80 -4.318 14.380 -10.860 1.00 42.12 O ATOM 1309 OE2 GLU A 80 -3.227 14.913 -9.037 1.00 64.53 O ATOM 0 H GLU A 80 -0.279 10.830 -11.563 1.00 12.24 H new ATOM 0 HA GLU A 80 -2.105 10.170 -9.396 1.00 13.14 H new ATOM 0 HB2 GLU A 80 -1.236 12.498 -9.871 1.00 21.35 H new ATOM 0 HB3 GLU A 80 -2.143 12.488 -11.371 1.00 21.35 H new ATOM 0 HG2 GLU A 80 -4.230 11.999 -9.915 1.00 63.20 H new ATOM 0 HG3 GLU A 80 -3.232 12.423 -8.538 1.00 63.20 H new ATOM 1316 N VAL A 81 -4.029 9.192 -10.646 1.00 22.22 N ATOM 1317 CA VAL A 81 -5.166 8.580 -11.347 1.00 42.54 C ATOM 1318 C VAL A 81 -6.486 8.781 -10.570 1.00 62.15 C ATOM 1319 O VAL A 81 -6.568 8.530 -9.368 1.00 63.31 O ATOM 1320 CB VAL A 81 -4.930 7.061 -11.592 1.00 43.11 C ATOM 1321 CG1 VAL A 81 -3.742 6.842 -12.527 1.00 63.22 C ATOM 1322 CG2 VAL A 81 -4.714 6.316 -10.276 1.00 65.51 C ATOM 0 H VAL A 81 -3.965 8.944 -9.659 1.00 22.22 H new ATOM 0 HA VAL A 81 -5.249 9.083 -12.311 1.00 42.54 H new ATOM 0 HB VAL A 81 -5.825 6.659 -12.066 1.00 43.11 H new ATOM 0 HG11 VAL A 81 -3.595 5.773 -12.684 1.00 63.22 H new ATOM 0 HG12 VAL A 81 -3.938 7.326 -13.484 1.00 63.22 H new ATOM 0 HG13 VAL A 81 -2.844 7.270 -12.081 1.00 63.22 H new ATOM 0 HG21 VAL A 81 -4.552 5.258 -10.479 1.00 65.51 H new ATOM 0 HG22 VAL A 81 -3.842 6.725 -9.765 1.00 65.51 H new ATOM 0 HG23 VAL A 81 -5.594 6.433 -9.643 1.00 65.51 H new ATOM 1332 N LYS A 82 -7.522 9.248 -11.262 1.00 42.45 N ATOM 1333 CA LYS A 82 -8.826 9.492 -10.634 1.00 21.31 C ATOM 1334 C LYS A 82 -9.665 8.204 -10.548 1.00 73.23 C ATOM 1335 O LYS A 82 -9.409 7.231 -11.260 1.00 74.24 O ATOM 1336 CB LYS A 82 -9.584 10.588 -11.399 1.00 55.14 C ATOM 1337 CG LYS A 82 -8.885 11.948 -11.358 1.00 22.13 C ATOM 1338 CD LYS A 82 -9.665 13.027 -12.109 1.00 35.05 C ATOM 1339 CE LYS A 82 -9.716 12.765 -13.610 1.00 24.22 C ATOM 1340 NZ LYS A 82 -8.359 12.751 -14.224 1.00 41.02 N ATOM 0 H LYS A 82 -7.488 9.466 -12.258 1.00 42.45 H new ATOM 0 HA LYS A 82 -8.650 9.832 -9.613 1.00 21.31 H new ATOM 0 HB2 LYS A 82 -9.704 10.280 -12.438 1.00 55.14 H new ATOM 0 HB3 LYS A 82 -10.585 10.689 -10.979 1.00 55.14 H new ATOM 0 HG2 LYS A 82 -8.753 12.255 -10.320 1.00 22.13 H new ATOM 0 HG3 LYS A 82 -7.889 11.855 -11.792 1.00 22.13 H new ATOM 0 HD2 LYS A 82 -10.681 13.078 -11.717 1.00 35.05 H new ATOM 0 HD3 LYS A 82 -9.204 13.998 -11.927 1.00 35.05 H new ATOM 0 HE2 LYS A 82 -10.206 11.809 -13.794 1.00 24.22 H new ATOM 0 HE3 LYS A 82 -10.323 13.532 -14.091 1.00 24.22 H new ATOM 0 HZ1 LYS A 82 -8.446 12.774 -15.260 1.00 41.02 H new ATOM 0 HZ2 LYS A 82 -7.824 13.583 -13.903 1.00 41.02 H new ATOM 0 HZ3 LYS A 82 -7.858 11.886 -13.938 1.00 41.02 H new ATOM 1354 N LYS A 83 -10.680 8.216 -9.679 1.00 74.23 N ATOM 1355 CA LYS A 83 -11.497 7.024 -9.399 1.00 22.54 C ATOM 1356 C LYS A 83 -12.087 6.416 -10.689 1.00 60.11 C ATOM 1357 O LYS A 83 -12.013 5.206 -10.909 1.00 53.14 O ATOM 1358 CB LYS A 83 -12.617 7.403 -8.403 1.00 25.20 C ATOM 1359 CG LYS A 83 -13.345 6.224 -7.741 1.00 4.31 C ATOM 1360 CD LYS A 83 -14.352 5.539 -8.670 1.00 24.21 C ATOM 1361 CE LYS A 83 -15.407 6.511 -9.193 1.00 65.53 C ATOM 1362 NZ LYS A 83 -16.398 5.843 -10.077 1.00 43.14 N ATOM 0 H LYS A 83 -10.960 9.043 -9.152 1.00 74.23 H new ATOM 0 HA LYS A 83 -10.858 6.259 -8.957 1.00 22.54 H new ATOM 0 HB2 LYS A 83 -12.186 8.026 -7.620 1.00 25.20 H new ATOM 0 HB3 LYS A 83 -13.353 8.013 -8.927 1.00 25.20 H new ATOM 0 HG2 LYS A 83 -12.610 5.491 -7.409 1.00 4.31 H new ATOM 0 HG3 LYS A 83 -13.865 6.579 -6.851 1.00 4.31 H new ATOM 0 HD2 LYS A 83 -13.822 5.093 -9.512 1.00 24.21 H new ATOM 0 HD3 LYS A 83 -14.843 4.726 -8.135 1.00 24.21 H new ATOM 0 HE2 LYS A 83 -15.925 6.970 -8.351 1.00 65.53 H new ATOM 0 HE3 LYS A 83 -14.917 7.315 -9.742 1.00 65.53 H new ATOM 0 HZ1 LYS A 83 -16.572 6.436 -10.914 1.00 43.14 H new ATOM 0 HZ2 LYS A 83 -16.027 4.919 -10.378 1.00 43.14 H new ATOM 0 HZ3 LYS A 83 -17.289 5.706 -9.558 1.00 43.14 H new ATOM 1376 N ASP A 84 -12.664 7.261 -11.541 1.00 73.31 N ATOM 1377 CA ASP A 84 -13.302 6.793 -12.780 1.00 52.53 C ATOM 1378 C ASP A 84 -12.276 6.375 -13.847 1.00 60.14 C ATOM 1379 O ASP A 84 -12.634 5.750 -14.850 1.00 4.20 O ATOM 1380 CB ASP A 84 -14.244 7.866 -13.330 1.00 25.52 C ATOM 1381 CG ASP A 84 -15.406 8.125 -12.390 1.00 21.03 C ATOM 1382 OD1 ASP A 84 -16.353 7.310 -12.367 1.00 62.32 O ATOM 1383 OD2 ASP A 84 -15.366 9.126 -11.645 1.00 1.40 O ATOM 0 H ASP A 84 -12.705 8.271 -11.401 1.00 73.31 H new ATOM 0 HA ASP A 84 -13.880 5.903 -12.530 1.00 52.53 H new ATOM 0 HB2 ASP A 84 -13.690 8.791 -13.488 1.00 25.52 H new ATOM 0 HB3 ASP A 84 -14.625 7.553 -14.302 1.00 25.52 H new ATOM 1388 N GLU A 85 -11.005 6.717 -13.639 1.00 25.45 N ATOM 1389 CA GLU A 85 -9.933 6.253 -14.527 1.00 54.12 C ATOM 1390 C GLU A 85 -9.598 4.785 -14.248 1.00 1.21 C ATOM 1391 O GLU A 85 -9.166 4.051 -15.141 1.00 23.13 O ATOM 1392 CB GLU A 85 -8.672 7.112 -14.368 1.00 71.24 C ATOM 1393 CG GLU A 85 -8.859 8.570 -14.771 1.00 54.31 C ATOM 1394 CD GLU A 85 -7.544 9.332 -14.834 1.00 30.25 C ATOM 1395 OE1 GLU A 85 -6.723 9.030 -15.727 1.00 2.14 O ATOM 1396 OE2 GLU A 85 -7.329 10.233 -13.999 1.00 41.13 O ATOM 0 H GLU A 85 -10.691 7.309 -12.870 1.00 25.45 H new ATOM 0 HA GLU A 85 -10.290 6.348 -15.552 1.00 54.12 H new ATOM 0 HB2 GLU A 85 -8.347 7.072 -13.328 1.00 71.24 H new ATOM 0 HB3 GLU A 85 -7.872 6.679 -14.969 1.00 71.24 H new ATOM 0 HG2 GLU A 85 -9.348 8.614 -15.744 1.00 54.31 H new ATOM 0 HG3 GLU A 85 -9.524 9.058 -14.058 1.00 54.31 H new ATOM 1403 N LEU A 86 -9.799 4.367 -13.002 1.00 23.12 N ATOM 1404 CA LEU A 86 -9.549 2.985 -12.590 1.00 12.34 C ATOM 1405 C LEU A 86 -10.824 2.134 -12.703 1.00 14.30 C ATOM 1406 O LEU A 86 -11.930 2.628 -12.467 1.00 55.24 O ATOM 1407 CB LEU A 86 -9.025 2.956 -11.146 1.00 23.44 C ATOM 1408 CG LEU A 86 -7.741 3.764 -10.898 1.00 31.45 C ATOM 1409 CD1 LEU A 86 -7.294 3.632 -9.446 1.00 52.32 C ATOM 1410 CD2 LEU A 86 -6.631 3.323 -11.852 1.00 64.22 C ATOM 0 H LEU A 86 -10.137 4.970 -12.252 1.00 23.12 H new ATOM 0 HA LEU A 86 -8.798 2.561 -13.256 1.00 12.34 H new ATOM 0 HB2 LEU A 86 -9.806 3.334 -10.486 1.00 23.44 H new ATOM 0 HB3 LEU A 86 -8.843 1.919 -10.864 1.00 23.44 H new ATOM 0 HG LEU A 86 -7.956 4.815 -11.093 1.00 31.45 H new ATOM 0 HD11 LEU A 86 -6.384 4.211 -9.291 1.00 52.32 H new ATOM 0 HD12 LEU A 86 -8.078 4.006 -8.788 1.00 52.32 H new ATOM 0 HD13 LEU A 86 -7.100 2.584 -9.219 1.00 52.32 H new ATOM 0 HD21 LEU A 86 -5.732 3.908 -11.659 1.00 64.22 H new ATOM 0 HD22 LEU A 86 -6.417 2.266 -11.697 1.00 64.22 H new ATOM 0 HD23 LEU A 86 -6.952 3.481 -12.882 1.00 64.22 H new ATOM 1422 N PRO A 87 -10.693 0.848 -13.080 1.00 32.32 N ATOM 1423 CA PRO A 87 -11.845 -0.066 -13.202 1.00 24.02 C ATOM 1424 C PRO A 87 -12.548 -0.328 -11.857 1.00 14.12 C ATOM 1425 O PRO A 87 -11.895 -0.483 -10.821 1.00 12.20 O ATOM 1426 CB PRO A 87 -11.223 -1.369 -13.744 1.00 72.11 C ATOM 1427 CG PRO A 87 -9.888 -0.973 -14.283 1.00 20.44 C ATOM 1428 CD PRO A 87 -9.428 0.177 -13.432 1.00 51.33 C ATOM 0 HA PRO A 87 -12.618 0.355 -13.845 1.00 24.02 H new ATOM 0 HB2 PRO A 87 -11.123 -2.115 -12.956 1.00 72.11 H new ATOM 0 HB3 PRO A 87 -11.847 -1.809 -14.522 1.00 72.11 H new ATOM 0 HG2 PRO A 87 -9.184 -1.803 -14.232 1.00 20.44 H new ATOM 0 HG3 PRO A 87 -9.960 -0.680 -15.330 1.00 20.44 H new ATOM 0 HD2 PRO A 87 -8.891 -0.164 -12.547 1.00 51.33 H new ATOM 0 HD3 PRO A 87 -8.756 0.840 -13.977 1.00 51.33 H new ATOM 1436 N ALA A 88 -13.879 -0.396 -11.883 1.00 22.14 N ATOM 1437 CA ALA A 88 -14.676 -0.704 -10.687 1.00 30.13 C ATOM 1438 C ALA A 88 -14.267 -2.049 -10.063 1.00 10.21 C ATOM 1439 O ALA A 88 -14.453 -2.283 -8.864 1.00 71.42 O ATOM 1440 CB ALA A 88 -16.156 -0.717 -11.042 1.00 44.31 C ATOM 0 H ALA A 88 -14.435 -0.241 -12.724 1.00 22.14 H new ATOM 0 HA ALA A 88 -14.486 0.073 -9.947 1.00 30.13 H new ATOM 0 HB1 ALA A 88 -16.742 -0.946 -10.152 1.00 44.31 H new ATOM 0 HB2 ALA A 88 -16.447 0.261 -11.426 1.00 44.31 H new ATOM 0 HB3 ALA A 88 -16.341 -1.475 -11.803 1.00 44.31 H new ATOM 1446 N LYS A 89 -13.711 -2.933 -10.892 1.00 24.33 N ATOM 1447 CA LYS A 89 -13.197 -4.235 -10.441 1.00 21.15 C ATOM 1448 C LYS A 89 -12.106 -4.091 -9.361 1.00 54.42 C ATOM 1449 O LYS A 89 -11.754 -5.061 -8.689 1.00 14.51 O ATOM 1450 CB LYS A 89 -12.642 -5.015 -11.642 1.00 64.35 C ATOM 1451 CG LYS A 89 -13.695 -5.355 -12.692 1.00 63.50 C ATOM 1452 CD LYS A 89 -13.079 -5.995 -13.931 1.00 13.14 C ATOM 1453 CE LYS A 89 -14.144 -6.372 -14.954 1.00 70.23 C ATOM 1454 NZ LYS A 89 -14.972 -5.204 -15.363 1.00 30.31 N ATOM 0 H LYS A 89 -13.602 -2.771 -11.893 1.00 24.33 H new ATOM 0 HA LYS A 89 -14.028 -4.779 -9.992 1.00 21.15 H new ATOM 0 HB2 LYS A 89 -11.851 -4.429 -12.110 1.00 64.35 H new ATOM 0 HB3 LYS A 89 -12.186 -5.939 -11.285 1.00 64.35 H new ATOM 0 HG2 LYS A 89 -14.431 -6.034 -12.261 1.00 63.50 H new ATOM 0 HG3 LYS A 89 -14.227 -4.448 -12.979 1.00 63.50 H new ATOM 0 HD2 LYS A 89 -12.368 -5.304 -14.383 1.00 13.14 H new ATOM 0 HD3 LYS A 89 -12.520 -6.885 -13.642 1.00 13.14 H new ATOM 0 HE2 LYS A 89 -13.664 -6.800 -15.834 1.00 70.23 H new ATOM 0 HE3 LYS A 89 -14.790 -7.144 -14.535 1.00 70.23 H new ATOM 0 HZ1 LYS A 89 -15.527 -5.451 -16.207 1.00 30.31 H new ATOM 0 HZ2 LYS A 89 -15.616 -4.947 -14.588 1.00 30.31 H new ATOM 0 HZ3 LYS A 89 -14.352 -4.398 -15.580 1.00 30.31 H new ATOM 1468 N VAL A 90 -11.563 -2.888 -9.209 1.00 72.24 N ATOM 1469 CA VAL A 90 -10.568 -2.618 -8.167 1.00 33.23 C ATOM 1470 C VAL A 90 -11.230 -2.118 -6.870 1.00 3.54 C ATOM 1471 O VAL A 90 -10.930 -2.606 -5.777 1.00 62.53 O ATOM 1472 CB VAL A 90 -9.528 -1.573 -8.650 1.00 1.21 C ATOM 1473 CG1 VAL A 90 -8.466 -1.320 -7.580 1.00 65.04 C ATOM 1474 CG2 VAL A 90 -8.883 -2.019 -9.964 1.00 61.32 C ATOM 0 H VAL A 90 -11.792 -2.082 -9.791 1.00 72.24 H new ATOM 0 HA VAL A 90 -10.061 -3.560 -7.959 1.00 33.23 H new ATOM 0 HB VAL A 90 -10.052 -0.634 -8.829 1.00 1.21 H new ATOM 0 HG11 VAL A 90 -7.750 -0.584 -7.945 1.00 65.04 H new ATOM 0 HG12 VAL A 90 -8.944 -0.944 -6.675 1.00 65.04 H new ATOM 0 HG13 VAL A 90 -7.946 -2.251 -7.356 1.00 65.04 H new ATOM 0 HG21 VAL A 90 -8.157 -1.272 -10.285 1.00 61.32 H new ATOM 0 HG22 VAL A 90 -8.379 -2.974 -9.816 1.00 61.32 H new ATOM 0 HG23 VAL A 90 -9.652 -2.129 -10.728 1.00 61.32 H new ATOM 1484 N LYS A 91 -12.159 -1.170 -7.004 1.00 53.10 N ATOM 1485 CA LYS A 91 -12.758 -0.493 -5.844 1.00 74.51 C ATOM 1486 C LYS A 91 -13.718 -1.399 -5.041 1.00 5.15 C ATOM 1487 O LYS A 91 -13.570 -1.542 -3.827 1.00 40.41 O ATOM 1488 CB LYS A 91 -13.494 0.777 -6.295 1.00 73.43 C ATOM 1489 CG LYS A 91 -14.121 1.555 -5.141 1.00 24.40 C ATOM 1490 CD LYS A 91 -14.841 2.816 -5.614 1.00 51.14 C ATOM 1491 CE LYS A 91 -15.539 3.530 -4.458 1.00 5.42 C ATOM 1492 NZ LYS A 91 -16.581 2.676 -3.823 1.00 72.01 N ATOM 0 H LYS A 91 -12.516 -0.851 -7.905 1.00 53.10 H new ATOM 0 HA LYS A 91 -11.936 -0.233 -5.177 1.00 74.51 H new ATOM 0 HB2 LYS A 91 -12.795 1.425 -6.823 1.00 73.43 H new ATOM 0 HB3 LYS A 91 -14.274 0.503 -7.005 1.00 73.43 H new ATOM 0 HG2 LYS A 91 -14.827 0.913 -4.614 1.00 24.40 H new ATOM 0 HG3 LYS A 91 -13.345 1.829 -4.427 1.00 24.40 H new ATOM 0 HD2 LYS A 91 -14.124 3.492 -6.081 1.00 51.14 H new ATOM 0 HD3 LYS A 91 -15.574 2.553 -6.376 1.00 51.14 H new ATOM 0 HE2 LYS A 91 -14.800 3.817 -3.710 1.00 5.42 H new ATOM 0 HE3 LYS A 91 -15.997 4.449 -4.823 1.00 5.42 H new ATOM 0 HZ1 LYS A 91 -17.196 3.265 -3.226 1.00 72.01 H new ATOM 0 HZ2 LYS A 91 -17.151 2.217 -4.562 1.00 72.01 H new ATOM 0 HZ3 LYS A 91 -16.124 1.949 -3.237 1.00 72.01 H new