USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1066 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 14 SER OG : rot -151:sc= 0.587 USER MOD Set 1.2: A 15 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0.161) USER MOD Set 1.3: A 24 TYR OH : rot 180:sc= -0.671 USER MOD Set 1.4: A 36 SER OG : rot 170:sc= 0.614 USER MOD Set 1.5: A 151 GLN : amide:sc= 0.285 K(o=1.9,f=-2.3!) USER MOD Set 2.1: A 95 LYS NZ :NH3+ 148:sc= 0.842 (180deg=0) USER MOD Set 2.2: A 147 TYR OH : rot 26:sc= 1.03 USER MOD Single : A 10 THR OG1 : rot 23:sc= 0.197 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 18 THR OG1 : rot 16:sc= 0.711 USER MOD Single : A 20 MET CE :methyl -176:sc= -0.43 (180deg=-0.507) USER MOD Single : A 26 ASN : amide:sc= 0.173 K(o=0.17,f=-4.1!) USER MOD Single : A 27 SER OG : rot -24:sc= 0.326 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 37 ASN : amide:sc= 0.184 K(o=0.18,f=-1.8!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.632 K(o=0.63,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0136) USER MOD Single : A 55 TYR OH : rot 29:sc= 0.165 USER MOD Single : A 58 MET CE :methyl 171:sc= -1.23 (180deg=-1.41) USER MOD Single : A 62 THR OG1 : rot 112:sc= 0.54 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.383 (180deg=0.367) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0463 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 81 LYS NZ :NH3+ -153:sc= 1.14 (180deg=0.584) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -137:sc= 0.0361 USER MOD Single : A 100 SER OG : rot 180:sc= -0.212 USER MOD Single : A 104 GLN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 114 GLN :FLIP amide:sc= -0.269 F(o=-0.89,f=-0.27) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.556 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 119 TYR OH : rot -144:sc= 0.402 USER MOD Single : A 120 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.3) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN :FLIP amide:sc= -0.199 F(o=-1.9!,f=-0.2) USER MOD Single : A 127 HIS : no HD1:sc=-0.00124 X(o=-0.0012,f=0) USER MOD Single : A 129 HIS : no HD1:sc=-0.00347 X(o=-0.0035,f=-0.046) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 140 GLN : amide:sc= 0.242 K(o=0.24,f=-0.33) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -9.224 3.253 -10.728 1.00 62.11 N ATOM 140 CA THR A 10 -8.801 2.166 -11.621 1.00 42.44 C ATOM 141 C THR A 10 -7.271 1.976 -11.438 1.00 11.32 C ATOM 142 O THR A 10 -6.594 2.871 -10.901 1.00 23.04 O ATOM 143 CB THR A 10 -9.195 2.513 -13.101 1.00 32.45 C ATOM 144 OG1 THR A 10 -10.582 2.908 -13.148 1.00 31.50 O ATOM 145 CG2 THR A 10 -8.977 1.342 -14.080 1.00 0.22 C ATOM 0 HA THR A 10 -9.301 1.228 -11.379 1.00 42.44 H new ATOM 0 HB THR A 10 -8.541 3.326 -13.417 1.00 32.45 H new ATOM 0 HG1 THR A 10 -10.862 3.226 -12.264 1.00 31.50 H new ATOM 0 HG21 THR A 10 -9.269 1.648 -15.085 1.00 0.22 H new ATOM 0 HG22 THR A 10 -7.925 1.058 -14.079 1.00 0.22 H new ATOM 0 HG23 THR A 10 -9.583 0.491 -13.770 1.00 0.22 H new ATOM 153 N THR A 11 -6.741 0.822 -11.883 1.00 51.25 N ATOM 154 CA THR A 11 -5.374 0.354 -11.579 1.00 5.25 C ATOM 155 C THR A 11 -4.242 1.346 -12.001 1.00 5.51 C ATOM 156 O THR A 11 -3.146 1.268 -11.451 1.00 72.33 O ATOM 157 CB THR A 11 -5.149 -1.050 -12.239 1.00 74.02 C ATOM 158 OG1 THR A 11 -6.340 -1.849 -12.094 1.00 51.15 O ATOM 159 CG2 THR A 11 -3.960 -1.815 -11.620 1.00 71.45 C ATOM 0 H THR A 11 -7.261 0.175 -12.476 1.00 51.25 H new ATOM 0 HA THR A 11 -5.304 0.286 -10.493 1.00 5.25 H new ATOM 0 HB THR A 11 -4.922 -0.874 -13.290 1.00 74.02 H new ATOM 0 HG1 THR A 11 -6.198 -2.726 -12.509 1.00 51.15 H new ATOM 0 HG21 THR A 11 -3.851 -2.780 -12.115 1.00 71.45 H new ATOM 0 HG22 THR A 11 -3.047 -1.235 -11.750 1.00 71.45 H new ATOM 0 HG23 THR A 11 -4.142 -1.971 -10.557 1.00 71.45 H new ATOM 167 N TYR A 12 -4.527 2.275 -12.949 1.00 54.13 N ATOM 168 CA TYR A 12 -3.542 3.290 -13.439 1.00 22.21 C ATOM 169 C TYR A 12 -2.909 4.093 -12.266 1.00 63.14 C ATOM 170 O TYR A 12 -1.696 4.343 -12.245 1.00 20.24 O ATOM 171 CB TYR A 12 -4.215 4.270 -14.462 1.00 44.32 C ATOM 172 CG TYR A 12 -5.247 5.250 -13.846 1.00 44.30 C ATOM 173 CD1 TYR A 12 -6.563 4.863 -13.610 1.00 61.42 C ATOM 174 CD2 TYR A 12 -4.886 6.553 -13.473 1.00 33.22 C ATOM 175 CE1 TYR A 12 -7.479 5.728 -13.031 1.00 41.54 C ATOM 176 CE2 TYR A 12 -5.801 7.414 -12.896 1.00 30.30 C ATOM 177 CZ TYR A 12 -7.092 6.999 -12.678 1.00 51.34 C ATOM 178 OH TYR A 12 -8.001 7.869 -12.112 1.00 75.21 O ATOM 0 H TYR A 12 -5.440 2.347 -13.397 1.00 54.13 H new ATOM 0 HA TYR A 12 -2.743 2.746 -13.943 1.00 22.21 H new ATOM 0 HB2 TYR A 12 -3.434 4.850 -14.955 1.00 44.32 H new ATOM 0 HB3 TYR A 12 -4.711 3.682 -15.234 1.00 44.32 H new ATOM 0 HD1 TYR A 12 -6.878 3.867 -13.884 1.00 61.42 H new ATOM 0 HD2 TYR A 12 -3.874 6.890 -13.640 1.00 33.22 H new ATOM 0 HE1 TYR A 12 -8.495 5.404 -12.858 1.00 41.54 H new ATOM 0 HE2 TYR A 12 -5.501 8.413 -12.617 1.00 30.30 H new ATOM 0 HH TYR A 12 -8.668 7.361 -11.605 1.00 75.21 H new ATOM 188 N ALA A 13 -3.764 4.463 -11.289 1.00 43.03 N ATOM 189 CA ALA A 13 -3.371 5.257 -10.111 1.00 2.13 C ATOM 190 C ALA A 13 -2.496 4.421 -9.162 1.00 4.22 C ATOM 191 O ALA A 13 -1.546 4.927 -8.542 1.00 24.34 O ATOM 192 CB ALA A 13 -4.639 5.757 -9.399 1.00 41.33 C ATOM 0 H ALA A 13 -4.754 4.216 -11.298 1.00 43.03 H new ATOM 0 HA ALA A 13 -2.779 6.115 -10.429 1.00 2.13 H new ATOM 0 HB1 ALA A 13 -4.358 6.346 -8.526 1.00 41.33 H new ATOM 0 HB2 ALA A 13 -5.220 6.376 -10.082 1.00 41.33 H new ATOM 0 HB3 ALA A 13 -5.239 4.904 -9.083 1.00 41.33 H new ATOM 198 N SER A 14 -2.835 3.128 -9.093 1.00 73.02 N ATOM 199 CA SER A 14 -2.161 2.141 -8.249 1.00 40.04 C ATOM 200 C SER A 14 -0.783 1.731 -8.831 1.00 33.12 C ATOM 201 O SER A 14 0.115 1.328 -8.079 1.00 11.34 O ATOM 202 CB SER A 14 -3.093 0.921 -8.104 1.00 63.12 C ATOM 203 OG SER A 14 -4.391 1.318 -7.678 1.00 23.31 O ATOM 0 H SER A 14 -3.603 2.733 -9.636 1.00 73.02 H new ATOM 0 HA SER A 14 -1.960 2.576 -7.270 1.00 40.04 H new ATOM 0 HB2 SER A 14 -3.164 0.398 -9.058 1.00 63.12 H new ATOM 0 HB3 SER A 14 -2.670 0.219 -7.386 1.00 63.12 H new ATOM 0 HG SER A 14 -4.803 0.592 -7.165 1.00 23.31 H new ATOM 209 N LYS A 15 -0.638 1.855 -10.173 1.00 40.31 N ATOM 210 CA LYS A 15 0.627 1.573 -10.891 1.00 1.34 C ATOM 211 C LYS A 15 1.718 2.576 -10.477 1.00 11.34 C ATOM 212 O LYS A 15 2.858 2.193 -10.163 1.00 54.52 O ATOM 213 CB LYS A 15 0.429 1.644 -12.442 1.00 62.20 C ATOM 214 CG LYS A 15 -0.432 0.520 -13.043 1.00 61.10 C ATOM 215 CD LYS A 15 0.176 -0.877 -12.809 1.00 61.14 C ATOM 216 CE LYS A 15 -0.684 -2.008 -13.387 1.00 3.22 C ATOM 217 NZ LYS A 15 -0.174 -3.337 -12.954 1.00 63.24 N ATOM 0 H LYS A 15 -1.396 2.153 -10.787 1.00 40.31 H new ATOM 0 HA LYS A 15 0.936 0.563 -10.621 1.00 1.34 H new ATOM 0 HB2 LYS A 15 -0.027 2.602 -12.691 1.00 62.20 H new ATOM 0 HB3 LYS A 15 1.409 1.624 -12.919 1.00 62.20 H new ATOM 0 HG2 LYS A 15 -1.429 0.557 -12.605 1.00 61.10 H new ATOM 0 HG3 LYS A 15 -0.548 0.688 -14.114 1.00 61.10 H new ATOM 0 HD2 LYS A 15 1.168 -0.916 -13.259 1.00 61.14 H new ATOM 0 HD3 LYS A 15 0.305 -1.037 -11.739 1.00 61.14 H new ATOM 0 HE2 LYS A 15 -1.717 -1.887 -13.062 1.00 3.22 H new ATOM 0 HE3 LYS A 15 -0.683 -1.951 -14.475 1.00 3.22 H new ATOM 0 HZ1 LYS A 15 -0.730 -4.088 -13.411 1.00 63.24 H new ATOM 0 HZ2 LYS A 15 0.825 -3.431 -13.226 1.00 63.24 H new ATOM 0 HZ3 LYS A 15 -0.261 -3.422 -11.921 1.00 63.24 H new ATOM 231 N GLN A 16 1.351 3.868 -10.491 1.00 74.32 N ATOM 232 CA GLN A 16 2.279 4.960 -10.166 1.00 3.41 C ATOM 233 C GLN A 16 2.667 4.931 -8.681 1.00 3.51 C ATOM 234 O GLN A 16 3.803 5.250 -8.328 1.00 20.24 O ATOM 235 CB GLN A 16 1.685 6.338 -10.559 1.00 71.51 C ATOM 236 CG GLN A 16 1.374 6.504 -12.065 1.00 44.24 C ATOM 237 CD GLN A 16 2.543 6.137 -12.984 1.00 13.23 C ATOM 238 OE1 GLN A 16 2.645 5.009 -13.470 1.00 23.54 O ATOM 239 NE2 GLN A 16 3.440 7.079 -13.215 1.00 75.30 N ATOM 0 H GLN A 16 0.409 4.182 -10.726 1.00 74.32 H new ATOM 0 HA GLN A 16 3.185 4.810 -10.752 1.00 3.41 H new ATOM 0 HB2 GLN A 16 0.767 6.497 -9.993 1.00 71.51 H new ATOM 0 HB3 GLN A 16 2.384 7.118 -10.258 1.00 71.51 H new ATOM 0 HG2 GLN A 16 0.516 5.882 -12.319 1.00 44.24 H new ATOM 0 HG3 GLN A 16 1.086 7.538 -12.255 1.00 44.24 H new ATOM 0 HE21 GLN A 16 3.328 8.003 -12.798 1.00 75.30 H new ATOM 0 HE22 GLN A 16 4.245 6.882 -13.810 1.00 75.30 H new ATOM 248 N ALA A 17 1.721 4.500 -7.831 1.00 55.13 N ATOM 249 CA ALA A 17 1.955 4.348 -6.385 1.00 43.53 C ATOM 250 C ALA A 17 3.076 3.328 -6.114 1.00 43.21 C ATOM 251 O ALA A 17 4.049 3.629 -5.408 1.00 24.41 O ATOM 252 CB ALA A 17 0.662 3.939 -5.685 1.00 60.04 C ATOM 0 H ALA A 17 0.777 4.248 -8.124 1.00 55.13 H new ATOM 0 HA ALA A 17 2.278 5.308 -5.982 1.00 43.53 H new ATOM 0 HB1 ALA A 17 0.846 3.829 -4.616 1.00 60.04 H new ATOM 0 HB2 ALA A 17 -0.097 4.705 -5.846 1.00 60.04 H new ATOM 0 HB3 ALA A 17 0.312 2.990 -6.092 1.00 60.04 H new ATOM 258 N THR A 18 2.938 2.133 -6.715 1.00 5.32 N ATOM 259 CA THR A 18 3.930 1.048 -6.594 1.00 32.42 C ATOM 260 C THR A 18 5.269 1.410 -7.267 1.00 12.54 C ATOM 261 O THR A 18 6.320 0.875 -6.896 1.00 32.41 O ATOM 262 CB THR A 18 3.363 -0.276 -7.190 1.00 50.50 C ATOM 263 OG1 THR A 18 2.799 -0.015 -8.482 1.00 51.02 O ATOM 264 CG2 THR A 18 2.286 -0.900 -6.294 1.00 63.44 C ATOM 0 H THR A 18 2.137 1.892 -7.298 1.00 5.32 H new ATOM 0 HA THR A 18 4.128 0.905 -5.532 1.00 32.42 H new ATOM 0 HB THR A 18 4.190 -0.982 -7.264 1.00 50.50 H new ATOM 0 HG1 THR A 18 3.113 0.855 -8.806 1.00 51.02 H new ATOM 0 HG21 THR A 18 1.921 -1.820 -6.751 1.00 63.44 H new ATOM 0 HG22 THR A 18 2.712 -1.124 -5.316 1.00 63.44 H new ATOM 0 HG23 THR A 18 1.459 -0.200 -6.178 1.00 63.44 H new ATOM 272 N ASP A 19 5.210 2.332 -8.248 1.00 25.11 N ATOM 273 CA ASP A 19 6.406 2.891 -8.912 1.00 31.22 C ATOM 274 C ASP A 19 7.246 3.718 -7.912 1.00 14.25 C ATOM 275 O ASP A 19 8.479 3.676 -7.941 1.00 24.14 O ATOM 276 CB ASP A 19 5.984 3.748 -10.135 1.00 1.20 C ATOM 277 CG ASP A 19 7.172 4.327 -10.935 1.00 63.11 C ATOM 278 OD1 ASP A 19 7.701 3.629 -11.829 1.00 4.24 O ATOM 279 OD2 ASP A 19 7.570 5.486 -10.681 1.00 32.55 O ATOM 0 H ASP A 19 4.332 2.711 -8.603 1.00 25.11 H new ATOM 0 HA ASP A 19 7.029 2.070 -9.269 1.00 31.22 H new ATOM 0 HB2 ASP A 19 5.374 3.137 -10.801 1.00 1.20 H new ATOM 0 HB3 ASP A 19 5.356 4.570 -9.791 1.00 1.20 H new ATOM 284 N MET A 20 6.564 4.460 -7.013 1.00 43.54 N ATOM 285 CA MET A 20 7.238 5.226 -5.928 1.00 4.23 C ATOM 286 C MET A 20 7.793 4.287 -4.823 1.00 1.43 C ATOM 287 O MET A 20 8.608 4.721 -3.998 1.00 51.54 O ATOM 288 CB MET A 20 6.288 6.310 -5.302 1.00 42.21 C ATOM 289 CG MET A 20 6.546 7.756 -5.773 1.00 51.15 C ATOM 290 SD MET A 20 5.997 8.073 -7.462 1.00 43.23 S ATOM 291 CE MET A 20 4.216 8.092 -7.257 1.00 12.33 C ATOM 0 H MET A 20 5.548 4.548 -7.012 1.00 43.54 H new ATOM 0 HA MET A 20 8.080 5.743 -6.387 1.00 4.23 H new ATOM 0 HB2 MET A 20 5.257 6.046 -5.537 1.00 42.21 H new ATOM 0 HB3 MET A 20 6.387 6.275 -4.217 1.00 42.21 H new ATOM 0 HG2 MET A 20 6.037 8.445 -5.099 1.00 51.15 H new ATOM 0 HG3 MET A 20 7.613 7.968 -5.700 1.00 51.15 H new ATOM 0 HE1 MET A 20 3.739 8.207 -8.230 1.00 12.33 H new ATOM 0 HE2 MET A 20 3.892 7.156 -6.802 1.00 12.33 H new ATOM 0 HE3 MET A 20 3.933 8.925 -6.614 1.00 12.33 H new ATOM 301 N GLY A 21 7.342 3.018 -4.815 1.00 4.31 N ATOM 302 CA GLY A 21 7.826 2.011 -3.856 1.00 75.10 C ATOM 303 C GLY A 21 6.762 1.586 -2.852 1.00 14.21 C ATOM 304 O GLY A 21 7.092 1.058 -1.779 1.00 71.11 O ATOM 0 H GLY A 21 6.640 2.666 -5.466 1.00 4.31 H new ATOM 0 HA2 GLY A 21 8.173 1.134 -4.402 1.00 75.10 H new ATOM 0 HA3 GLY A 21 8.685 2.412 -3.319 1.00 75.10 H new ATOM 308 N ALA A 22 5.476 1.827 -3.193 1.00 65.13 N ATOM 309 CA ALA A 22 4.340 1.359 -2.385 1.00 34.41 C ATOM 310 C ALA A 22 4.153 -0.156 -2.570 1.00 63.31 C ATOM 311 O ALA A 22 4.257 -0.671 -3.692 1.00 13.23 O ATOM 312 CB ALA A 22 3.057 2.119 -2.748 1.00 12.31 C ATOM 0 H ALA A 22 5.204 2.346 -4.028 1.00 65.13 H new ATOM 0 HA ALA A 22 4.554 1.558 -1.335 1.00 34.41 H new ATOM 0 HB1 ALA A 22 2.232 1.754 -2.136 1.00 12.31 H new ATOM 0 HB2 ALA A 22 3.201 3.184 -2.565 1.00 12.31 H new ATOM 0 HB3 ALA A 22 2.826 1.960 -3.801 1.00 12.31 H new ATOM 318 N ILE A 23 3.901 -0.867 -1.465 1.00 14.12 N ATOM 319 CA ILE A 23 3.780 -2.335 -1.470 1.00 22.40 C ATOM 320 C ILE A 23 2.300 -2.753 -1.465 1.00 64.34 C ATOM 321 O ILE A 23 1.430 -2.017 -0.975 1.00 54.12 O ATOM 322 CB ILE A 23 4.513 -2.976 -0.227 1.00 4.24 C ATOM 323 CG1 ILE A 23 3.866 -2.480 1.112 1.00 75.35 C ATOM 324 CG2 ILE A 23 6.033 -2.662 -0.265 1.00 63.14 C ATOM 325 CD1 ILE A 23 4.416 -3.115 2.376 1.00 31.32 C ATOM 0 H ILE A 23 3.775 -0.446 -0.544 1.00 14.12 H new ATOM 0 HA ILE A 23 4.257 -2.700 -2.380 1.00 22.40 H new ATOM 0 HB ILE A 23 4.393 -4.058 -0.277 1.00 4.24 H new ATOM 0 HG12 ILE A 23 3.998 -1.400 1.181 1.00 75.35 H new ATOM 0 HG13 ILE A 23 2.793 -2.668 1.069 1.00 75.35 H new ATOM 0 HG21 ILE A 23 6.519 -3.113 0.600 1.00 63.14 H new ATOM 0 HG22 ILE A 23 6.466 -3.070 -1.178 1.00 63.14 H new ATOM 0 HG23 ILE A 23 6.182 -1.582 -0.244 1.00 63.14 H new ATOM 0 HD11 ILE A 23 3.901 -2.703 3.244 1.00 31.32 H new ATOM 0 HD12 ILE A 23 4.259 -4.193 2.339 1.00 31.32 H new ATOM 0 HD13 ILE A 23 5.483 -2.906 2.454 1.00 31.32 H new ATOM 337 N TYR A 24 2.029 -3.938 -2.015 1.00 3.10 N ATOM 338 CA TYR A 24 0.717 -4.584 -1.917 1.00 31.31 C ATOM 339 C TYR A 24 0.760 -5.649 -0.819 1.00 35.24 C ATOM 340 O TYR A 24 1.562 -6.585 -0.884 1.00 11.44 O ATOM 341 CB TYR A 24 0.316 -5.256 -3.256 1.00 74.02 C ATOM 342 CG TYR A 24 -0.292 -4.336 -4.315 1.00 15.13 C ATOM 343 CD1 TYR A 24 -1.477 -3.641 -4.060 1.00 62.40 C ATOM 344 CD2 TYR A 24 0.275 -4.213 -5.584 1.00 75.11 C ATOM 345 CE1 TYR A 24 -2.066 -2.860 -5.034 1.00 14.04 C ATOM 346 CE2 TYR A 24 -0.310 -3.423 -6.549 1.00 10.30 C ATOM 347 CZ TYR A 24 -1.475 -2.756 -6.275 1.00 3.22 C ATOM 348 OH TYR A 24 -2.062 -1.990 -7.255 1.00 74.12 O ATOM 0 H TYR A 24 2.714 -4.479 -2.542 1.00 3.10 H new ATOM 0 HA TYR A 24 -0.022 -3.818 -1.681 1.00 31.31 H new ATOM 0 HB2 TYR A 24 1.201 -5.730 -3.681 1.00 74.02 H new ATOM 0 HB3 TYR A 24 -0.399 -6.050 -3.041 1.00 74.02 H new ATOM 0 HD1 TYR A 24 -1.939 -3.716 -3.087 1.00 62.40 H new ATOM 0 HD2 TYR A 24 1.186 -4.745 -5.813 1.00 75.11 H new ATOM 0 HE1 TYR A 24 -2.985 -2.333 -4.825 1.00 14.04 H new ATOM 0 HE2 TYR A 24 0.150 -3.329 -7.522 1.00 10.30 H new ATOM 0 HH TYR A 24 -1.516 -2.024 -8.068 1.00 74.12 H new ATOM 358 N VAL A 25 -0.105 -5.486 0.181 1.00 33.41 N ATOM 359 CA VAL A 25 -0.401 -6.515 1.193 1.00 33.15 C ATOM 360 C VAL A 25 -1.849 -6.992 0.987 1.00 3.25 C ATOM 361 O VAL A 25 -2.468 -6.644 -0.017 1.00 54.35 O ATOM 362 CB VAL A 25 -0.182 -5.989 2.668 1.00 53.13 C ATOM 363 CG1 VAL A 25 1.287 -5.558 2.897 1.00 42.10 C ATOM 364 CG2 VAL A 25 -1.167 -4.857 3.042 1.00 31.52 C ATOM 0 H VAL A 25 -0.632 -4.623 0.318 1.00 33.41 H new ATOM 0 HA VAL A 25 0.293 -7.346 1.064 1.00 33.15 H new ATOM 0 HB VAL A 25 -0.396 -6.823 3.336 1.00 53.13 H new ATOM 0 HG11 VAL A 25 1.406 -5.201 3.920 1.00 42.10 H new ATOM 0 HG12 VAL A 25 1.946 -6.410 2.731 1.00 42.10 H new ATOM 0 HG13 VAL A 25 1.544 -4.759 2.202 1.00 42.10 H new ATOM 0 HG21 VAL A 25 -0.975 -4.531 4.064 1.00 31.52 H new ATOM 0 HG22 VAL A 25 -1.031 -4.017 2.361 1.00 31.52 H new ATOM 0 HG23 VAL A 25 -2.190 -5.225 2.964 1.00 31.52 H new ATOM 374 N ASN A 26 -2.354 -7.853 1.878 1.00 51.14 N ATOM 375 CA ASN A 26 -3.789 -8.234 1.888 1.00 13.14 C ATOM 376 C ASN A 26 -4.398 -7.868 3.258 1.00 72.15 C ATOM 377 O ASN A 26 -3.738 -7.195 4.058 1.00 75.55 O ATOM 378 CB ASN A 26 -3.948 -9.741 1.535 1.00 33.12 C ATOM 379 CG ASN A 26 -3.524 -10.700 2.650 1.00 51.52 C ATOM 380 OD1 ASN A 26 -4.360 -11.204 3.389 1.00 52.44 O ATOM 381 ND2 ASN A 26 -2.228 -10.928 2.803 1.00 70.41 N ATOM 0 H ASN A 26 -1.798 -8.304 2.605 1.00 51.14 H new ATOM 0 HA ASN A 26 -4.337 -7.680 1.125 1.00 13.14 H new ATOM 0 HB2 ASN A 26 -4.991 -9.935 1.283 1.00 33.12 H new ATOM 0 HB3 ASN A 26 -3.359 -9.957 0.643 1.00 33.12 H new ATOM 0 HD21 ASN A 26 -1.903 -11.538 3.553 1.00 70.41 H new ATOM 0 HD22 ASN A 26 -1.556 -10.493 2.171 1.00 70.41 H new ATOM 388 N SER A 27 -5.650 -8.306 3.524 1.00 2.13 N ATOM 389 CA SER A 27 -6.366 -7.999 4.791 1.00 0.40 C ATOM 390 C SER A 27 -5.732 -8.699 6.019 1.00 72.41 C ATOM 391 O SER A 27 -6.140 -8.455 7.158 1.00 55.32 O ATOM 392 CB SER A 27 -7.864 -8.358 4.654 1.00 41.31 C ATOM 393 OG SER A 27 -8.627 -7.993 5.800 1.00 45.34 O ATOM 0 H SER A 27 -6.191 -8.877 2.875 1.00 2.13 H new ATOM 0 HA SER A 27 -6.272 -6.928 4.969 1.00 0.40 H new ATOM 0 HB2 SER A 27 -8.274 -7.858 3.776 1.00 41.31 H new ATOM 0 HB3 SER A 27 -7.962 -9.430 4.485 1.00 41.31 H new ATOM 0 HG SER A 27 -8.038 -7.938 6.581 1.00 45.34 H new ATOM 399 N LYS A 28 -4.745 -9.568 5.782 1.00 64.24 N ATOM 400 CA LYS A 28 -3.903 -10.140 6.846 1.00 74.14 C ATOM 401 C LYS A 28 -2.627 -9.301 7.029 1.00 12.11 C ATOM 402 O LYS A 28 -2.157 -9.130 8.138 1.00 45.20 O ATOM 403 CB LYS A 28 -3.550 -11.611 6.525 1.00 63.53 C ATOM 404 CG LYS A 28 -4.768 -12.553 6.435 1.00 21.31 C ATOM 405 CD LYS A 28 -5.581 -12.615 7.749 1.00 22.33 C ATOM 406 CE LYS A 28 -6.750 -13.613 7.673 1.00 12.12 C ATOM 407 NZ LYS A 28 -7.560 -13.619 8.923 1.00 64.43 N ATOM 0 H LYS A 28 -4.504 -9.897 4.847 1.00 64.24 H new ATOM 0 HA LYS A 28 -4.463 -10.120 7.781 1.00 74.14 H new ATOM 0 HB2 LYS A 28 -3.010 -11.644 5.579 1.00 63.53 H new ATOM 0 HB3 LYS A 28 -2.872 -11.985 7.292 1.00 63.53 H new ATOM 0 HG2 LYS A 28 -5.419 -12.220 5.627 1.00 21.31 H new ATOM 0 HG3 LYS A 28 -4.427 -13.556 6.177 1.00 21.31 H new ATOM 0 HD2 LYS A 28 -4.920 -12.897 8.568 1.00 22.33 H new ATOM 0 HD3 LYS A 28 -5.969 -11.623 7.979 1.00 22.33 H new ATOM 0 HE2 LYS A 28 -7.389 -13.359 6.828 1.00 12.12 H new ATOM 0 HE3 LYS A 28 -6.361 -14.614 7.488 1.00 12.12 H new ATOM 0 HZ1 LYS A 28 -8.337 -14.304 8.830 1.00 64.43 H new ATOM 0 HZ2 LYS A 28 -6.956 -13.887 9.727 1.00 64.43 H new ATOM 0 HZ3 LYS A 28 -7.953 -12.670 9.086 1.00 64.43 H new ATOM 421 N GLY A 29 -2.079 -8.774 5.918 1.00 74.43 N ATOM 422 CA GLY A 29 -0.882 -7.919 5.963 1.00 23.13 C ATOM 423 C GLY A 29 0.348 -8.585 5.371 1.00 32.21 C ATOM 424 O GLY A 29 1.451 -8.028 5.456 1.00 22.34 O ATOM 0 H GLY A 29 -2.448 -8.926 4.979 1.00 74.43 H new ATOM 0 HA2 GLY A 29 -1.083 -6.994 5.422 1.00 23.13 H new ATOM 0 HA3 GLY A 29 -0.677 -7.645 6.998 1.00 23.13 H new ATOM 428 N ASP A 30 0.163 -9.773 4.766 1.00 45.31 N ATOM 429 CA ASP A 30 1.228 -10.454 4.011 1.00 45.22 C ATOM 430 C ASP A 30 1.419 -9.728 2.679 1.00 24.23 C ATOM 431 O ASP A 30 0.435 -9.578 1.930 1.00 44.32 O ATOM 432 CB ASP A 30 0.875 -11.939 3.707 1.00 33.51 C ATOM 433 CG ASP A 30 0.492 -12.756 4.944 1.00 25.21 C ATOM 434 OD1 ASP A 30 -0.672 -12.660 5.375 1.00 3.43 O ATOM 435 OD2 ASP A 30 1.346 -13.499 5.484 1.00 63.01 O ATOM 0 H ASP A 30 -0.720 -10.283 4.787 1.00 45.31 H new ATOM 0 HA ASP A 30 2.133 -10.436 4.618 1.00 45.22 H new ATOM 0 HB2 ASP A 30 0.049 -11.967 2.996 1.00 33.51 H new ATOM 0 HB3 ASP A 30 1.729 -12.412 3.222 1.00 33.51 H new ATOM 440 N ARG A 31 2.655 -9.266 2.397 1.00 52.12 N ATOM 441 CA ARG A 31 3.009 -8.678 1.094 1.00 45.52 C ATOM 442 C ARG A 31 2.763 -9.716 -0.028 1.00 70.11 C ATOM 443 O ARG A 31 3.476 -10.716 -0.142 1.00 1.10 O ATOM 444 CB ARG A 31 4.476 -8.137 1.089 1.00 21.25 C ATOM 445 CG ARG A 31 5.569 -9.170 1.462 1.00 62.35 C ATOM 446 CD ARG A 31 7.000 -8.595 1.400 1.00 22.33 C ATOM 447 NE ARG A 31 8.011 -9.606 1.777 1.00 4.34 N ATOM 448 CZ ARG A 31 8.613 -9.703 2.977 1.00 61.11 C ATOM 449 NH1 ARG A 31 8.337 -8.849 3.961 1.00 1.03 N ATOM 450 NH2 ARG A 31 9.476 -10.682 3.197 1.00 43.42 N ATOM 0 H ARG A 31 3.428 -9.291 3.062 1.00 52.12 H new ATOM 0 HA ARG A 31 2.368 -7.817 0.907 1.00 45.52 H new ATOM 0 HB2 ARG A 31 4.696 -7.743 0.097 1.00 21.25 H new ATOM 0 HB3 ARG A 31 4.539 -7.300 1.785 1.00 21.25 H new ATOM 0 HG2 ARG A 31 5.378 -9.543 2.468 1.00 62.35 H new ATOM 0 HG3 ARG A 31 5.498 -10.023 0.787 1.00 62.35 H new ATOM 0 HD2 ARG A 31 7.204 -8.234 0.392 1.00 22.33 H new ATOM 0 HD3 ARG A 31 7.077 -7.737 2.067 1.00 22.33 H new ATOM 0 HE ARG A 31 8.275 -10.289 1.067 1.00 4.34 H new ATOM 0 HH11 ARG A 31 7.657 -8.103 3.813 1.00 1.03 H new ATOM 0 HH12 ARG A 31 8.805 -8.941 4.863 1.00 1.03 H new ATOM 0 HH21 ARG A 31 9.681 -11.356 2.460 1.00 43.42 H new ATOM 0 HH22 ARG A 31 9.936 -10.762 4.104 1.00 43.42 H new ATOM 464 N ILE A 32 1.684 -9.492 -0.797 1.00 32.21 N ATOM 465 CA ILE A 32 1.263 -10.401 -1.876 1.00 65.11 C ATOM 466 C ILE A 32 2.204 -10.258 -3.093 1.00 10.52 C ATOM 467 O ILE A 32 2.502 -11.233 -3.788 1.00 3.12 O ATOM 468 CB ILE A 32 -0.236 -10.133 -2.290 1.00 22.42 C ATOM 469 CG1 ILE A 32 -0.401 -8.774 -3.030 1.00 20.41 C ATOM 470 CG2 ILE A 32 -1.164 -10.177 -1.058 1.00 10.51 C ATOM 471 CD1 ILE A 32 -1.789 -8.493 -3.558 1.00 30.05 C ATOM 0 H ILE A 32 1.080 -8.677 -0.688 1.00 32.21 H new ATOM 0 HA ILE A 32 1.327 -11.425 -1.507 1.00 65.11 H new ATOM 0 HB ILE A 32 -0.522 -10.928 -2.979 1.00 22.42 H new ATOM 0 HG12 ILE A 32 -0.119 -7.971 -2.349 1.00 20.41 H new ATOM 0 HG13 ILE A 32 0.300 -8.745 -3.864 1.00 20.41 H new ATOM 0 HG21 ILE A 32 -2.192 -9.989 -1.370 1.00 10.51 H new ATOM 0 HG22 ILE A 32 -1.100 -11.159 -0.590 1.00 10.51 H new ATOM 0 HG23 ILE A 32 -0.856 -9.414 -0.343 1.00 10.51 H new ATOM 0 HD11 ILE A 32 -1.799 -7.524 -4.056 1.00 30.05 H new ATOM 0 HD12 ILE A 32 -2.072 -9.269 -4.269 1.00 30.05 H new ATOM 0 HD13 ILE A 32 -2.498 -8.483 -2.730 1.00 30.05 H new ATOM 483 N VAL A 33 2.671 -9.017 -3.303 1.00 21.21 N ATOM 484 CA VAL A 33 3.589 -8.648 -4.377 1.00 25.53 C ATOM 485 C VAL A 33 4.171 -7.256 -4.030 1.00 72.41 C ATOM 486 O VAL A 33 3.445 -6.377 -3.538 1.00 15.32 O ATOM 487 CB VAL A 33 2.881 -8.677 -5.799 1.00 74.12 C ATOM 488 CG1 VAL A 33 1.768 -7.613 -5.935 1.00 24.52 C ATOM 489 CG2 VAL A 33 3.907 -8.585 -6.947 1.00 0.33 C ATOM 0 H VAL A 33 2.410 -8.227 -2.712 1.00 21.21 H new ATOM 0 HA VAL A 33 4.397 -9.375 -4.452 1.00 25.53 H new ATOM 0 HB VAL A 33 2.387 -9.645 -5.878 1.00 74.12 H new ATOM 0 HG11 VAL A 33 1.320 -7.680 -6.926 1.00 24.52 H new ATOM 0 HG12 VAL A 33 1.003 -7.788 -5.179 1.00 24.52 H new ATOM 0 HG13 VAL A 33 2.195 -6.620 -5.796 1.00 24.52 H new ATOM 0 HG21 VAL A 33 3.385 -8.608 -7.904 1.00 0.33 H new ATOM 0 HG22 VAL A 33 4.467 -7.654 -6.861 1.00 0.33 H new ATOM 0 HG23 VAL A 33 4.595 -9.428 -6.889 1.00 0.33 H new ATOM 499 N ASN A 34 5.486 -7.064 -4.237 1.00 21.11 N ATOM 500 CA ASN A 34 6.181 -5.811 -3.827 1.00 54.24 C ATOM 501 C ASN A 34 6.033 -4.688 -4.884 1.00 13.35 C ATOM 502 O ASN A 34 6.489 -3.557 -4.674 1.00 20.52 O ATOM 503 CB ASN A 34 7.686 -6.085 -3.541 1.00 33.40 C ATOM 504 CG ASN A 34 8.502 -6.499 -4.779 1.00 63.10 C ATOM 505 OD1 ASN A 34 9.004 -5.658 -5.525 1.00 22.34 O ATOM 506 ND2 ASN A 34 8.663 -7.791 -4.988 1.00 13.33 N ATOM 0 H ASN A 34 6.094 -7.751 -4.683 1.00 21.11 H new ATOM 0 HA ASN A 34 5.701 -5.465 -2.911 1.00 54.24 H new ATOM 0 HB2 ASN A 34 8.131 -5.188 -3.111 1.00 33.40 H new ATOM 0 HB3 ASN A 34 7.764 -6.871 -2.790 1.00 33.40 H new ATOM 0 HD21 ASN A 34 9.214 -8.114 -5.783 1.00 13.33 H new ATOM 0 HD22 ASN A 34 8.236 -8.467 -4.355 1.00 13.33 H new ATOM 513 N GLU A 35 5.377 -5.015 -6.000 1.00 15.41 N ATOM 514 CA GLU A 35 5.279 -4.146 -7.181 1.00 21.20 C ATOM 515 C GLU A 35 4.006 -4.509 -7.963 1.00 51.32 C ATOM 516 O GLU A 35 3.566 -5.662 -7.921 1.00 24.42 O ATOM 517 CB GLU A 35 6.545 -4.360 -8.063 1.00 23.23 C ATOM 518 CG GLU A 35 6.606 -3.513 -9.349 1.00 12.23 C ATOM 519 CD GLU A 35 7.859 -3.800 -10.195 1.00 2.42 C ATOM 520 OE1 GLU A 35 8.925 -3.217 -9.902 1.00 71.05 O ATOM 521 OE2 GLU A 35 7.785 -4.620 -11.141 1.00 15.22 O ATOM 0 H GLU A 35 4.891 -5.904 -6.113 1.00 15.41 H new ATOM 0 HA GLU A 35 5.223 -3.098 -6.886 1.00 21.20 H new ATOM 0 HB2 GLU A 35 7.427 -4.141 -7.462 1.00 23.23 H new ATOM 0 HB3 GLU A 35 6.601 -5.413 -8.339 1.00 23.23 H new ATOM 0 HG2 GLU A 35 5.717 -3.707 -9.948 1.00 12.23 H new ATOM 0 HG3 GLU A 35 6.587 -2.456 -9.083 1.00 12.23 H new ATOM 528 N SER A 36 3.411 -3.545 -8.681 1.00 32.44 N ATOM 529 CA SER A 36 2.254 -3.814 -9.556 1.00 14.44 C ATOM 530 C SER A 36 2.771 -4.246 -10.952 1.00 54.22 C ATOM 531 O SER A 36 2.435 -3.641 -11.981 1.00 62.43 O ATOM 532 CB SER A 36 1.337 -2.564 -9.629 1.00 73.14 C ATOM 533 OG SER A 36 0.030 -2.894 -10.093 1.00 61.54 O ATOM 0 H SER A 36 3.710 -2.570 -8.675 1.00 32.44 H new ATOM 0 HA SER A 36 1.651 -4.626 -9.150 1.00 14.44 H new ATOM 0 HB2 SER A 36 1.268 -2.106 -8.642 1.00 73.14 H new ATOM 0 HB3 SER A 36 1.783 -1.824 -10.294 1.00 73.14 H new ATOM 0 HG SER A 36 -0.563 -2.123 -9.975 1.00 61.54 H new ATOM 539 N ASN A 37 3.585 -5.326 -10.948 1.00 3.41 N ATOM 540 CA ASN A 37 4.300 -5.841 -12.134 1.00 65.43 C ATOM 541 C ASN A 37 3.325 -6.237 -13.245 1.00 42.25 C ATOM 542 O ASN A 37 3.459 -5.803 -14.391 1.00 43.11 O ATOM 543 CB ASN A 37 5.185 -7.048 -11.726 1.00 31.54 C ATOM 544 CG ASN A 37 6.016 -7.605 -12.889 1.00 4.50 C ATOM 545 OD1 ASN A 37 5.605 -8.548 -13.568 1.00 72.42 O ATOM 546 ND2 ASN A 37 7.181 -7.021 -13.129 1.00 35.33 N ATOM 0 H ASN A 37 3.765 -5.872 -10.106 1.00 3.41 H new ATOM 0 HA ASN A 37 4.935 -5.047 -12.526 1.00 65.43 H new ATOM 0 HB2 ASN A 37 5.855 -6.744 -10.921 1.00 31.54 H new ATOM 0 HB3 ASN A 37 4.549 -7.840 -11.330 1.00 31.54 H new ATOM 0 HD21 ASN A 37 7.768 -7.350 -13.896 1.00 35.33 H new ATOM 0 HD22 ASN A 37 7.491 -6.243 -12.547 1.00 35.33 H new ATOM 553 N VAL A 38 2.341 -7.054 -12.877 1.00 32.14 N ATOM 554 CA VAL A 38 1.255 -7.469 -13.768 1.00 10.15 C ATOM 555 C VAL A 38 0.066 -7.944 -12.912 1.00 0.14 C ATOM 556 O VAL A 38 0.267 -8.565 -11.859 1.00 73.11 O ATOM 557 CB VAL A 38 1.728 -8.568 -14.803 1.00 10.53 C ATOM 558 CG1 VAL A 38 2.285 -9.830 -14.113 1.00 1.05 C ATOM 559 CG2 VAL A 38 0.611 -8.906 -15.821 1.00 70.22 C ATOM 0 H VAL A 38 2.273 -7.453 -11.941 1.00 32.14 H new ATOM 0 HA VAL A 38 0.938 -6.618 -14.371 1.00 10.15 H new ATOM 0 HB VAL A 38 2.558 -8.137 -15.363 1.00 10.53 H new ATOM 0 HG11 VAL A 38 2.595 -10.551 -14.869 1.00 1.05 H new ATOM 0 HG12 VAL A 38 3.142 -9.559 -13.497 1.00 1.05 H new ATOM 0 HG13 VAL A 38 1.512 -10.272 -13.485 1.00 1.05 H new ATOM 0 HG21 VAL A 38 0.970 -9.664 -16.517 1.00 70.22 H new ATOM 0 HG22 VAL A 38 -0.262 -9.285 -15.290 1.00 70.22 H new ATOM 0 HG23 VAL A 38 0.338 -8.007 -16.373 1.00 70.22 H new ATOM 569 N TYR A 39 -1.169 -7.624 -13.367 1.00 70.23 N ATOM 570 CA TYR A 39 -2.417 -7.884 -12.617 1.00 23.42 C ATOM 571 C TYR A 39 -2.629 -9.389 -12.385 1.00 22.32 C ATOM 572 O TYR A 39 -3.308 -9.765 -11.445 1.00 14.31 O ATOM 573 CB TYR A 39 -3.650 -7.274 -13.351 1.00 50.11 C ATOM 574 CG TYR A 39 -4.015 -7.971 -14.677 1.00 64.04 C ATOM 575 CD1 TYR A 39 -3.320 -7.696 -15.858 1.00 71.32 C ATOM 576 CD2 TYR A 39 -5.042 -8.924 -14.739 1.00 51.13 C ATOM 577 CE1 TYR A 39 -3.636 -8.336 -17.040 1.00 13.23 C ATOM 578 CE2 TYR A 39 -5.351 -9.567 -15.920 1.00 22.24 C ATOM 579 CZ TYR A 39 -4.645 -9.268 -17.068 1.00 21.33 C ATOM 580 OH TYR A 39 -4.943 -9.910 -18.249 1.00 60.02 O ATOM 0 H TYR A 39 -1.326 -7.176 -14.270 1.00 70.23 H new ATOM 0 HA TYR A 39 -2.317 -7.400 -11.645 1.00 23.42 H new ATOM 0 HB2 TYR A 39 -4.511 -7.316 -12.684 1.00 50.11 H new ATOM 0 HB3 TYR A 39 -3.453 -6.221 -13.551 1.00 50.11 H new ATOM 0 HD1 TYR A 39 -2.521 -6.969 -15.846 1.00 71.32 H new ATOM 0 HD2 TYR A 39 -5.601 -9.159 -13.846 1.00 51.13 H new ATOM 0 HE1 TYR A 39 -3.090 -8.104 -17.942 1.00 13.23 H new ATOM 0 HE2 TYR A 39 -6.142 -10.302 -15.946 1.00 22.24 H new ATOM 0 HH TYR A 39 -5.679 -10.540 -18.102 1.00 60.02 H new ATOM 590 N THR A 40 -2.042 -10.223 -13.262 1.00 31.30 N ATOM 591 CA THR A 40 -2.158 -11.681 -13.186 1.00 44.53 C ATOM 592 C THR A 40 -1.448 -12.225 -11.926 1.00 32.00 C ATOM 593 O THR A 40 -2.074 -12.895 -11.102 1.00 72.44 O ATOM 594 CB THR A 40 -1.576 -12.336 -14.475 1.00 0.43 C ATOM 595 OG1 THR A 40 -0.236 -11.874 -14.679 1.00 54.30 O ATOM 596 CG2 THR A 40 -2.416 -11.998 -15.720 1.00 62.01 C ATOM 0 H THR A 40 -1.473 -9.898 -14.044 1.00 31.30 H new ATOM 0 HA THR A 40 -3.214 -11.940 -13.112 1.00 44.53 H new ATOM 0 HB THR A 40 -1.595 -13.417 -14.336 1.00 0.43 H new ATOM 0 HG1 THR A 40 0.132 -12.286 -15.488 1.00 54.30 H new ATOM 0 HG21 THR A 40 -1.976 -12.474 -16.596 1.00 62.01 H new ATOM 0 HG22 THR A 40 -3.434 -12.362 -15.582 1.00 62.01 H new ATOM 0 HG23 THR A 40 -2.434 -10.918 -15.865 1.00 62.01 H new ATOM 604 N THR A 41 -0.143 -11.899 -11.782 1.00 31.02 N ATOM 605 CA THR A 41 0.662 -12.270 -10.600 1.00 30.00 C ATOM 606 C THR A 41 0.045 -11.690 -9.307 1.00 54.21 C ATOM 607 O THR A 41 -0.064 -12.383 -8.292 1.00 34.22 O ATOM 608 CB THR A 41 2.134 -11.764 -10.767 1.00 52.25 C ATOM 609 OG1 THR A 41 2.681 -12.294 -11.986 1.00 21.41 O ATOM 610 CG2 THR A 41 3.043 -12.161 -9.581 1.00 72.13 C ATOM 0 H THR A 41 0.379 -11.372 -12.482 1.00 31.02 H new ATOM 0 HA THR A 41 0.666 -13.357 -10.520 1.00 30.00 H new ATOM 0 HB THR A 41 2.102 -10.675 -10.796 1.00 52.25 H new ATOM 0 HG1 THR A 41 3.602 -11.978 -12.096 1.00 21.41 H new ATOM 0 HG21 THR A 41 4.051 -11.783 -9.753 1.00 72.13 H new ATOM 0 HG22 THR A 41 2.647 -11.733 -8.660 1.00 72.13 H new ATOM 0 HG23 THR A 41 3.073 -13.247 -9.493 1.00 72.13 H new ATOM 618 N PHE A 42 -0.389 -10.423 -9.414 1.00 23.30 N ATOM 619 CA PHE A 42 -1.071 -9.669 -8.349 1.00 53.45 C ATOM 620 C PHE A 42 -2.358 -10.390 -7.879 1.00 72.31 C ATOM 621 O PHE A 42 -2.608 -10.505 -6.678 1.00 43.42 O ATOM 622 CB PHE A 42 -1.390 -8.238 -8.891 1.00 64.23 C ATOM 623 CG PHE A 42 -2.426 -7.422 -8.110 1.00 25.23 C ATOM 624 CD1 PHE A 42 -2.143 -6.922 -6.844 1.00 53.44 C ATOM 625 CD2 PHE A 42 -3.683 -7.143 -8.664 1.00 70.04 C ATOM 626 CE1 PHE A 42 -3.079 -6.176 -6.153 1.00 51.21 C ATOM 627 CE2 PHE A 42 -4.617 -6.397 -7.968 1.00 13.33 C ATOM 628 CZ PHE A 42 -4.314 -5.912 -6.712 1.00 23.12 C ATOM 0 H PHE A 42 -0.271 -9.879 -10.269 1.00 23.30 H new ATOM 0 HA PHE A 42 -0.420 -9.598 -7.477 1.00 53.45 H new ATOM 0 HB2 PHE A 42 -0.460 -7.670 -8.919 1.00 64.23 H new ATOM 0 HB3 PHE A 42 -1.737 -8.333 -9.920 1.00 64.23 H new ATOM 0 HD1 PHE A 42 -1.181 -7.119 -6.395 1.00 53.44 H new ATOM 0 HD2 PHE A 42 -3.926 -7.516 -9.648 1.00 70.04 H new ATOM 0 HE1 PHE A 42 -2.843 -5.797 -5.170 1.00 51.21 H new ATOM 0 HE2 PHE A 42 -5.583 -6.194 -8.407 1.00 13.33 H new ATOM 0 HZ PHE A 42 -5.041 -5.327 -6.168 1.00 23.12 H new ATOM 638 N ARG A 43 -3.139 -10.904 -8.843 1.00 10.50 N ATOM 639 CA ARG A 43 -4.474 -11.478 -8.585 1.00 23.20 C ATOM 640 C ARG A 43 -4.363 -12.884 -7.994 1.00 53.53 C ATOM 641 O ARG A 43 -5.049 -13.199 -7.025 1.00 74.24 O ATOM 642 CB ARG A 43 -5.307 -11.475 -9.885 1.00 52.03 C ATOM 643 CG ARG A 43 -6.779 -11.928 -9.733 1.00 74.52 C ATOM 644 CD ARG A 43 -7.653 -11.390 -10.878 1.00 53.12 C ATOM 645 NE ARG A 43 -7.612 -9.915 -10.913 1.00 44.34 N ATOM 646 CZ ARG A 43 -7.950 -9.137 -11.953 1.00 61.10 C ATOM 647 NH1 ARG A 43 -8.375 -9.665 -13.102 1.00 34.21 N ATOM 648 NH2 ARG A 43 -7.850 -7.822 -11.830 1.00 60.10 N ATOM 0 H ARG A 43 -2.864 -10.934 -9.825 1.00 10.50 H new ATOM 0 HA ARG A 43 -4.986 -10.860 -7.848 1.00 23.20 H new ATOM 0 HB2 ARG A 43 -5.296 -10.467 -10.301 1.00 52.03 H new ATOM 0 HB3 ARG A 43 -4.818 -12.125 -10.611 1.00 52.03 H new ATOM 0 HG2 ARG A 43 -6.826 -13.017 -9.718 1.00 74.52 H new ATOM 0 HG3 ARG A 43 -7.172 -11.579 -8.778 1.00 74.52 H new ATOM 0 HD2 ARG A 43 -7.304 -11.792 -11.829 1.00 53.12 H new ATOM 0 HD3 ARG A 43 -8.681 -11.728 -10.748 1.00 53.12 H new ATOM 0 HE ARG A 43 -7.297 -9.442 -10.066 1.00 44.34 H new ATOM 0 HH11 ARG A 43 -8.448 -10.677 -13.202 1.00 34.21 H new ATOM 0 HH12 ARG A 43 -8.627 -9.056 -13.881 1.00 34.21 H new ATOM 0 HH21 ARG A 43 -7.520 -7.415 -10.955 1.00 60.10 H new ATOM 0 HH22 ARG A 43 -8.103 -7.216 -12.611 1.00 60.10 H new ATOM 662 N ASN A 44 -3.475 -13.716 -8.571 1.00 15.42 N ATOM 663 CA ASN A 44 -3.200 -15.072 -8.046 1.00 32.34 C ATOM 664 C ASN A 44 -2.532 -14.995 -6.663 1.00 23.54 C ATOM 665 O ASN A 44 -2.653 -15.923 -5.860 1.00 2.13 O ATOM 666 CB ASN A 44 -2.327 -15.909 -9.025 1.00 64.40 C ATOM 667 CG ASN A 44 -3.101 -16.365 -10.269 1.00 63.23 C ATOM 668 OD1 ASN A 44 -3.790 -17.387 -10.238 1.00 42.33 O ATOM 669 ND2 ASN A 44 -2.951 -15.659 -11.381 1.00 23.33 N ATOM 0 H ASN A 44 -2.934 -13.475 -9.402 1.00 15.42 H new ATOM 0 HA ASN A 44 -4.159 -15.580 -7.946 1.00 32.34 H new ATOM 0 HB2 ASN A 44 -1.466 -15.316 -9.335 1.00 64.40 H new ATOM 0 HB3 ASN A 44 -1.940 -16.784 -8.502 1.00 64.40 H new ATOM 0 HD21 ASN A 44 -3.412 -15.957 -12.241 1.00 23.33 H new ATOM 0 HD22 ASN A 44 -2.375 -14.817 -11.377 1.00 23.33 H new ATOM 676 N ALA A 45 -1.838 -13.874 -6.396 1.00 32.35 N ATOM 677 CA ALA A 45 -1.258 -13.588 -5.076 1.00 62.12 C ATOM 678 C ALA A 45 -2.359 -13.326 -4.028 1.00 61.31 C ATOM 679 O ALA A 45 -2.229 -13.750 -2.888 1.00 24.35 O ATOM 680 CB ALA A 45 -0.287 -12.410 -5.163 1.00 44.31 C ATOM 0 H ALA A 45 -1.665 -13.145 -7.088 1.00 32.35 H new ATOM 0 HA ALA A 45 -0.700 -14.467 -4.751 1.00 62.12 H new ATOM 0 HB1 ALA A 45 0.133 -12.211 -4.177 1.00 44.31 H new ATOM 0 HB2 ALA A 45 0.517 -12.652 -5.858 1.00 44.31 H new ATOM 0 HB3 ALA A 45 -0.818 -11.526 -5.516 1.00 44.31 H new ATOM 686 N ILE A 46 -3.447 -12.636 -4.441 1.00 10.12 N ATOM 687 CA ILE A 46 -4.646 -12.416 -3.585 1.00 33.45 C ATOM 688 C ILE A 46 -5.387 -13.754 -3.344 1.00 54.34 C ATOM 689 O ILE A 46 -5.816 -14.052 -2.221 1.00 71.35 O ATOM 690 CB ILE A 46 -5.636 -11.370 -4.235 1.00 54.33 C ATOM 691 CG1 ILE A 46 -4.917 -10.013 -4.488 1.00 52.14 C ATOM 692 CG2 ILE A 46 -6.895 -11.159 -3.361 1.00 63.34 C ATOM 693 CD1 ILE A 46 -5.760 -8.970 -5.200 1.00 0.44 C ATOM 0 H ILE A 46 -3.523 -12.217 -5.368 1.00 10.12 H new ATOM 0 HA ILE A 46 -4.302 -12.014 -2.632 1.00 33.45 H new ATOM 0 HB ILE A 46 -5.959 -11.778 -5.193 1.00 54.33 H new ATOM 0 HG12 ILE A 46 -4.592 -9.606 -3.531 1.00 52.14 H new ATOM 0 HG13 ILE A 46 -4.019 -10.198 -5.077 1.00 52.14 H new ATOM 0 HG21 ILE A 46 -7.553 -10.433 -3.840 1.00 63.34 H new ATOM 0 HG22 ILE A 46 -7.422 -12.106 -3.247 1.00 63.34 H new ATOM 0 HG23 ILE A 46 -6.599 -10.788 -2.380 1.00 63.34 H new ATOM 0 HD11 ILE A 46 -5.176 -8.059 -5.332 1.00 0.44 H new ATOM 0 HD12 ILE A 46 -6.064 -9.351 -6.175 1.00 0.44 H new ATOM 0 HD13 ILE A 46 -6.646 -8.750 -4.604 1.00 0.44 H new ATOM 705 N LEU A 47 -5.498 -14.562 -4.419 1.00 40.34 N ATOM 706 CA LEU A 47 -6.133 -15.898 -4.375 1.00 33.34 C ATOM 707 C LEU A 47 -5.304 -16.882 -3.520 1.00 0.30 C ATOM 708 O LEU A 47 -5.834 -17.872 -3.017 1.00 0.20 O ATOM 709 CB LEU A 47 -6.318 -16.459 -5.816 1.00 74.04 C ATOM 710 CG LEU A 47 -7.179 -15.594 -6.792 1.00 43.32 C ATOM 711 CD1 LEU A 47 -7.250 -16.238 -8.195 1.00 51.43 C ATOM 712 CD2 LEU A 47 -8.588 -15.328 -6.224 1.00 74.01 C ATOM 0 H LEU A 47 -5.150 -14.307 -5.343 1.00 40.34 H new ATOM 0 HA LEU A 47 -7.113 -15.789 -3.910 1.00 33.34 H new ATOM 0 HB2 LEU A 47 -5.331 -16.595 -6.259 1.00 74.04 H new ATOM 0 HB3 LEU A 47 -6.773 -17.447 -5.743 1.00 74.04 H new ATOM 0 HG LEU A 47 -6.684 -14.628 -6.895 1.00 43.32 H new ATOM 0 HD11 LEU A 47 -7.856 -15.614 -8.852 1.00 51.43 H new ATOM 0 HD12 LEU A 47 -6.244 -16.328 -8.605 1.00 51.43 H new ATOM 0 HD13 LEU A 47 -7.700 -17.228 -8.119 1.00 51.43 H new ATOM 0 HD21 LEU A 47 -9.157 -14.724 -6.931 1.00 74.01 H new ATOM 0 HD22 LEU A 47 -9.100 -16.276 -6.063 1.00 74.01 H new ATOM 0 HD23 LEU A 47 -8.504 -14.796 -5.277 1.00 74.01 H new ATOM 724 N LYS A 48 -4.000 -16.600 -3.389 1.00 33.00 N ATOM 725 CA LYS A 48 -3.076 -17.371 -2.539 1.00 51.32 C ATOM 726 C LYS A 48 -3.378 -17.126 -1.045 1.00 2.41 C ATOM 727 O LYS A 48 -3.300 -18.048 -0.227 1.00 1.21 O ATOM 728 CB LYS A 48 -1.622 -16.948 -2.863 1.00 44.13 C ATOM 729 CG LYS A 48 -0.513 -17.715 -2.100 1.00 31.51 C ATOM 730 CD LYS A 48 0.896 -17.112 -2.330 1.00 34.25 C ATOM 731 CE LYS A 48 1.293 -17.034 -3.819 1.00 31.30 C ATOM 732 NZ LYS A 48 1.281 -18.369 -4.489 1.00 71.44 N ATOM 0 H LYS A 48 -3.551 -15.823 -3.874 1.00 33.00 H new ATOM 0 HA LYS A 48 -3.205 -18.434 -2.741 1.00 51.32 H new ATOM 0 HB2 LYS A 48 -1.456 -17.075 -3.933 1.00 44.13 H new ATOM 0 HB3 LYS A 48 -1.516 -15.885 -2.648 1.00 44.13 H new ATOM 0 HG2 LYS A 48 -0.738 -17.706 -1.034 1.00 31.51 H new ATOM 0 HG3 LYS A 48 -0.514 -18.758 -2.417 1.00 31.51 H new ATOM 0 HD2 LYS A 48 0.929 -16.111 -1.900 1.00 34.25 H new ATOM 0 HD3 LYS A 48 1.632 -17.713 -1.796 1.00 34.25 H new ATOM 0 HE2 LYS A 48 0.608 -16.365 -4.339 1.00 31.30 H new ATOM 0 HE3 LYS A 48 2.289 -16.599 -3.903 1.00 31.30 H new ATOM 0 HZ1 LYS A 48 1.555 -18.259 -5.486 1.00 71.44 H new ATOM 0 HZ2 LYS A 48 1.954 -19.003 -4.013 1.00 71.44 H new ATOM 0 HZ3 LYS A 48 0.325 -18.776 -4.435 1.00 71.44 H new ATOM 785 N LYS A 52 -9.957 -11.947 -0.078 1.00 11.31 N ATOM 786 CA LYS A 52 -10.047 -11.639 -1.520 1.00 11.02 C ATOM 787 C LYS A 52 -9.990 -10.122 -1.763 1.00 63.23 C ATOM 788 O LYS A 52 -10.566 -9.605 -2.732 1.00 15.42 O ATOM 789 CB LYS A 52 -11.329 -12.297 -2.115 1.00 21.52 C ATOM 790 CG LYS A 52 -11.287 -13.841 -2.032 1.00 42.21 C ATOM 791 CD LYS A 52 -10.093 -14.446 -2.833 1.00 14.21 C ATOM 792 CE LYS A 52 -9.802 -15.915 -2.474 1.00 50.10 C ATOM 793 NZ LYS A 52 -11.001 -16.783 -2.616 1.00 61.15 N ATOM 0 HA LYS A 52 -9.187 -12.062 -2.038 1.00 11.02 H new ATOM 0 HB2 LYS A 52 -12.205 -11.930 -1.580 1.00 21.52 H new ATOM 0 HB3 LYS A 52 -11.441 -11.994 -3.156 1.00 21.52 H new ATOM 0 HG2 LYS A 52 -11.212 -14.144 -0.988 1.00 42.21 H new ATOM 0 HG3 LYS A 52 -12.222 -14.249 -2.416 1.00 42.21 H new ATOM 0 HD2 LYS A 52 -10.307 -14.375 -3.899 1.00 14.21 H new ATOM 0 HD3 LYS A 52 -9.200 -13.850 -2.647 1.00 14.21 H new ATOM 0 HE2 LYS A 52 -9.006 -16.292 -3.116 1.00 50.10 H new ATOM 0 HE3 LYS A 52 -9.437 -15.970 -1.448 1.00 50.10 H new ATOM 0 HZ1 LYS A 52 -10.735 -17.774 -2.446 1.00 61.15 H new ATOM 0 HZ2 LYS A 52 -11.722 -16.495 -1.924 1.00 61.15 H new ATOM 0 HZ3 LYS A 52 -11.386 -16.689 -3.578 1.00 61.15 H new ATOM 807 N VAL A 53 -9.236 -9.429 -0.900 1.00 73.35 N ATOM 808 CA VAL A 53 -8.976 -7.993 -1.018 1.00 51.53 C ATOM 809 C VAL A 53 -7.501 -7.716 -0.668 1.00 43.20 C ATOM 810 O VAL A 53 -6.960 -8.262 0.305 1.00 74.54 O ATOM 811 CB VAL A 53 -9.950 -7.142 -0.111 1.00 14.11 C ATOM 812 CG1 VAL A 53 -9.936 -7.597 1.364 1.00 72.23 C ATOM 813 CG2 VAL A 53 -9.672 -5.626 -0.233 1.00 40.12 C ATOM 0 H VAL A 53 -8.785 -9.857 -0.091 1.00 73.35 H new ATOM 0 HA VAL A 53 -9.166 -7.687 -2.047 1.00 51.53 H new ATOM 0 HB VAL A 53 -10.956 -7.326 -0.489 1.00 14.11 H new ATOM 0 HG11 VAL A 53 -10.623 -6.979 1.942 1.00 72.23 H new ATOM 0 HG12 VAL A 53 -10.247 -8.640 1.426 1.00 72.23 H new ATOM 0 HG13 VAL A 53 -8.928 -7.494 1.767 1.00 72.23 H new ATOM 0 HG21 VAL A 53 -10.363 -5.077 0.406 1.00 40.12 H new ATOM 0 HG22 VAL A 53 -8.648 -5.418 0.077 1.00 40.12 H new ATOM 0 HG23 VAL A 53 -9.809 -5.313 -1.268 1.00 40.12 H new ATOM 823 N ALA A 54 -6.867 -6.873 -1.491 1.00 61.34 N ATOM 824 CA ALA A 54 -5.492 -6.412 -1.290 1.00 13.15 C ATOM 825 C ALA A 54 -5.522 -4.972 -0.771 1.00 14.30 C ATOM 826 O ALA A 54 -6.551 -4.302 -0.851 1.00 0.24 O ATOM 827 CB ALA A 54 -4.712 -6.488 -2.607 1.00 72.30 C ATOM 0 H ALA A 54 -7.303 -6.487 -2.328 1.00 61.34 H new ATOM 0 HA ALA A 54 -4.993 -7.051 -0.561 1.00 13.15 H new ATOM 0 HB1 ALA A 54 -3.691 -6.143 -2.446 1.00 72.30 H new ATOM 0 HB2 ALA A 54 -4.695 -7.519 -2.961 1.00 72.30 H new ATOM 0 HB3 ALA A 54 -5.195 -5.857 -3.353 1.00 72.30 H new ATOM 833 N TYR A 55 -4.395 -4.511 -0.223 1.00 24.33 N ATOM 834 CA TYR A 55 -4.281 -3.177 0.386 1.00 15.05 C ATOM 835 C TYR A 55 -2.934 -2.568 0.011 1.00 71.43 C ATOM 836 O TYR A 55 -1.878 -3.081 0.388 1.00 21.04 O ATOM 837 CB TYR A 55 -4.455 -3.255 1.927 1.00 70.43 C ATOM 838 CG TYR A 55 -5.906 -3.538 2.347 1.00 14.22 C ATOM 839 CD1 TYR A 55 -6.817 -2.494 2.508 1.00 2.24 C ATOM 840 CD2 TYR A 55 -6.371 -4.840 2.529 1.00 20.43 C ATOM 841 CE1 TYR A 55 -8.133 -2.740 2.829 1.00 31.44 C ATOM 842 CE2 TYR A 55 -7.685 -5.081 2.859 1.00 45.42 C ATOM 843 CZ TYR A 55 -8.560 -4.032 3.004 1.00 14.11 C ATOM 844 OH TYR A 55 -9.878 -4.281 3.295 1.00 21.42 O ATOM 0 H TYR A 55 -3.531 -5.052 -0.187 1.00 24.33 H new ATOM 0 HA TYR A 55 -5.077 -2.537 0.005 1.00 15.05 H new ATOM 0 HB2 TYR A 55 -3.808 -4.038 2.322 1.00 70.43 H new ATOM 0 HB3 TYR A 55 -4.129 -2.316 2.373 1.00 70.43 H new ATOM 0 HD1 TYR A 55 -6.484 -1.475 2.379 1.00 2.24 H new ATOM 0 HD2 TYR A 55 -5.691 -5.670 2.409 1.00 20.43 H new ATOM 0 HE1 TYR A 55 -8.826 -1.920 2.943 1.00 31.44 H new ATOM 0 HE2 TYR A 55 -8.028 -6.095 3.004 1.00 45.42 H new ATOM 0 HH TYR A 55 -10.437 -3.576 2.907 1.00 21.42 H new ATOM 854 N LEU A 56 -2.999 -1.478 -0.751 1.00 3.02 N ATOM 855 CA LEU A 56 -1.828 -0.759 -1.226 1.00 52.34 C ATOM 856 C LEU A 56 -1.362 0.228 -0.146 1.00 60.35 C ATOM 857 O LEU A 56 -1.976 1.281 0.056 1.00 72.42 O ATOM 858 CB LEU A 56 -2.189 -0.048 -2.558 1.00 21.44 C ATOM 859 CG LEU A 56 -1.037 0.700 -3.292 1.00 2.14 C ATOM 860 CD1 LEU A 56 0.201 -0.199 -3.480 1.00 74.43 C ATOM 861 CD2 LEU A 56 -1.537 1.243 -4.647 1.00 11.32 C ATOM 0 H LEU A 56 -3.881 -1.067 -1.058 1.00 3.02 H new ATOM 0 HA LEU A 56 -1.001 -1.442 -1.420 1.00 52.34 H new ATOM 0 HB2 LEU A 56 -2.598 -0.793 -3.240 1.00 21.44 H new ATOM 0 HB3 LEU A 56 -2.984 0.669 -2.355 1.00 21.44 H new ATOM 0 HG LEU A 56 -0.730 1.539 -2.668 1.00 2.14 H new ATOM 0 HD11 LEU A 56 0.982 0.360 -3.996 1.00 74.43 H new ATOM 0 HD12 LEU A 56 0.569 -0.521 -2.506 1.00 74.43 H new ATOM 0 HD13 LEU A 56 -0.071 -1.073 -4.072 1.00 74.43 H new ATOM 0 HD21 LEU A 56 -0.724 1.764 -5.152 1.00 11.32 H new ATOM 0 HD22 LEU A 56 -1.878 0.414 -5.268 1.00 11.32 H new ATOM 0 HD23 LEU A 56 -2.363 1.934 -4.480 1.00 11.32 H new ATOM 873 N VAL A 57 -0.293 -0.156 0.562 1.00 11.13 N ATOM 874 CA VAL A 57 0.293 0.635 1.646 1.00 63.33 C ATOM 875 C VAL A 57 1.327 1.608 1.052 1.00 64.12 C ATOM 876 O VAL A 57 2.316 1.175 0.451 1.00 43.34 O ATOM 877 CB VAL A 57 0.969 -0.298 2.725 1.00 23.14 C ATOM 878 CG1 VAL A 57 1.621 0.511 3.871 1.00 33.50 C ATOM 879 CG2 VAL A 57 -0.051 -1.323 3.274 1.00 63.22 C ATOM 0 H VAL A 57 0.194 -1.036 0.394 1.00 11.13 H new ATOM 0 HA VAL A 57 -0.496 1.198 2.145 1.00 63.33 H new ATOM 0 HB VAL A 57 1.772 -0.842 2.228 1.00 23.14 H new ATOM 0 HG11 VAL A 57 2.073 -0.174 4.589 1.00 33.50 H new ATOM 0 HG12 VAL A 57 2.389 1.167 3.462 1.00 33.50 H new ATOM 0 HG13 VAL A 57 0.861 1.111 4.371 1.00 33.50 H new ATOM 0 HG21 VAL A 57 0.434 -1.957 4.016 1.00 63.22 H new ATOM 0 HG22 VAL A 57 -0.885 -0.795 3.737 1.00 63.22 H new ATOM 0 HG23 VAL A 57 -0.422 -1.941 2.456 1.00 63.22 H new ATOM 889 N MET A 58 1.056 2.913 1.202 1.00 34.32 N ATOM 890 CA MET A 58 1.932 4.000 0.731 1.00 64.25 C ATOM 891 C MET A 58 2.096 5.041 1.851 1.00 2.22 C ATOM 892 O MET A 58 1.530 4.893 2.937 1.00 4.35 O ATOM 893 CB MET A 58 1.333 4.656 -0.558 1.00 23.11 C ATOM 894 CG MET A 58 0.044 5.470 -0.346 1.00 1.11 C ATOM 895 SD MET A 58 -0.673 6.091 -1.885 1.00 74.32 S ATOM 896 CE MET A 58 -1.223 4.578 -2.670 1.00 10.23 C ATOM 0 H MET A 58 0.209 3.250 1.661 1.00 34.32 H new ATOM 0 HA MET A 58 2.912 3.597 0.478 1.00 64.25 H new ATOM 0 HB2 MET A 58 2.087 5.309 -0.997 1.00 23.11 H new ATOM 0 HB3 MET A 58 1.131 3.870 -1.285 1.00 23.11 H new ATOM 0 HG2 MET A 58 -0.691 4.847 0.163 1.00 1.11 H new ATOM 0 HG3 MET A 58 0.259 6.312 0.312 1.00 1.11 H new ATOM 0 HE1 MET A 58 -1.824 4.820 -3.547 1.00 10.23 H new ATOM 0 HE2 MET A 58 -0.357 3.990 -2.975 1.00 10.23 H new ATOM 0 HE3 MET A 58 -1.824 4.001 -1.967 1.00 10.23 H new ATOM 906 N ASP A 59 2.882 6.080 1.577 1.00 1.13 N ATOM 907 CA ASP A 59 3.025 7.267 2.449 1.00 25.04 C ATOM 908 C ASP A 59 2.271 8.452 1.805 1.00 34.13 C ATOM 909 O ASP A 59 1.651 8.286 0.744 1.00 2.41 O ATOM 910 CB ASP A 59 4.533 7.589 2.635 1.00 74.31 C ATOM 911 CG ASP A 59 5.233 7.875 1.296 1.00 14.34 C ATOM 912 OD1 ASP A 59 5.510 6.906 0.559 1.00 21.22 O ATOM 913 OD2 ASP A 59 5.471 9.059 0.960 1.00 1.43 O ATOM 0 H ASP A 59 3.451 6.132 0.732 1.00 1.13 H new ATOM 0 HA ASP A 59 2.596 7.076 3.433 1.00 25.04 H new ATOM 0 HB2 ASP A 59 4.641 8.452 3.291 1.00 74.31 H new ATOM 0 HB3 ASP A 59 5.024 6.750 3.128 1.00 74.31 H new ATOM 918 N GLU A 60 2.345 9.638 2.440 1.00 74.22 N ATOM 919 CA GLU A 60 1.595 10.831 2.002 1.00 71.45 C ATOM 920 C GLU A 60 2.134 11.416 0.678 1.00 44.11 C ATOM 921 O GLU A 60 1.340 11.792 -0.188 1.00 70.25 O ATOM 922 CB GLU A 60 1.570 11.922 3.115 1.00 15.43 C ATOM 923 CG GLU A 60 0.780 13.193 2.721 1.00 23.10 C ATOM 924 CD GLU A 60 0.471 14.139 3.887 1.00 53.12 C ATOM 925 OE1 GLU A 60 1.416 14.646 4.519 1.00 51.22 O ATOM 926 OE2 GLU A 60 -0.726 14.394 4.161 1.00 34.35 O ATOM 0 H GLU A 60 2.923 9.795 3.266 1.00 74.22 H new ATOM 0 HA GLU A 60 0.573 10.503 1.815 1.00 71.45 H new ATOM 0 HB2 GLU A 60 1.131 11.497 4.018 1.00 15.43 H new ATOM 0 HB3 GLU A 60 2.594 12.203 3.360 1.00 15.43 H new ATOM 0 HG2 GLU A 60 1.348 13.739 1.968 1.00 23.10 H new ATOM 0 HG3 GLU A 60 -0.159 12.892 2.256 1.00 23.10 H new ATOM 933 N ARG A 61 3.473 11.463 0.517 1.00 44.41 N ATOM 934 CA ARG A 61 4.113 12.058 -0.684 1.00 41.44 C ATOM 935 C ARG A 61 3.753 11.251 -1.952 1.00 15.54 C ATOM 936 O ARG A 61 3.455 11.832 -3.009 1.00 33.14 O ATOM 937 CB ARG A 61 5.654 12.150 -0.519 1.00 3.44 C ATOM 938 CG ARG A 61 6.128 12.958 0.714 1.00 51.45 C ATOM 939 CD ARG A 61 7.645 13.241 0.682 1.00 71.02 C ATOM 940 NE ARG A 61 8.004 14.130 -0.444 1.00 72.52 N ATOM 941 CZ ARG A 61 9.212 14.225 -1.025 1.00 21.01 C ATOM 942 NH1 ARG A 61 10.237 13.490 -0.604 1.00 41.21 N ATOM 943 NH2 ARG A 61 9.383 15.087 -2.023 1.00 64.34 N ATOM 0 H ARG A 61 4.135 11.097 1.201 1.00 44.41 H new ATOM 0 HA ARG A 61 3.727 13.071 -0.795 1.00 41.44 H new ATOM 0 HB2 ARG A 61 6.059 11.140 -0.452 1.00 3.44 H new ATOM 0 HB3 ARG A 61 6.075 12.603 -1.417 1.00 3.44 H new ATOM 0 HG2 ARG A 61 5.585 13.902 0.757 1.00 51.45 H new ATOM 0 HG3 ARG A 61 5.883 12.408 1.622 1.00 51.45 H new ATOM 0 HD2 ARG A 61 7.951 13.700 1.622 1.00 71.02 H new ATOM 0 HD3 ARG A 61 8.190 12.301 0.594 1.00 71.02 H new ATOM 0 HE ARG A 61 7.265 14.727 -0.815 1.00 72.52 H new ATOM 0 HH11 ARG A 61 10.114 12.840 0.173 1.00 41.21 H new ATOM 0 HH12 ARG A 61 11.147 13.576 -1.058 1.00 41.21 H new ATOM 0 HH21 ARG A 61 8.603 15.665 -2.337 1.00 64.34 H new ATOM 0 HH22 ARG A 61 10.294 15.171 -2.474 1.00 64.34 H new ATOM 957 N THR A 62 3.762 9.913 -1.813 1.00 51.32 N ATOM 958 CA THR A 62 3.322 8.983 -2.872 1.00 52.44 C ATOM 959 C THR A 62 1.816 9.160 -3.179 1.00 74.12 C ATOM 960 O THR A 62 1.406 9.165 -4.353 1.00 43.53 O ATOM 961 CB THR A 62 3.628 7.506 -2.455 1.00 75.41 C ATOM 962 OG1 THR A 62 5.048 7.341 -2.341 1.00 44.44 O ATOM 963 CG2 THR A 62 3.067 6.467 -3.445 1.00 54.11 C ATOM 0 H THR A 62 4.075 9.444 -0.963 1.00 51.32 H new ATOM 0 HA THR A 62 3.877 9.214 -3.781 1.00 52.44 H new ATOM 0 HB THR A 62 3.133 7.328 -1.501 1.00 75.41 H new ATOM 0 HG1 THR A 62 5.286 7.193 -1.402 1.00 44.44 H new ATOM 0 HG21 THR A 62 3.314 5.464 -3.098 1.00 54.11 H new ATOM 0 HG22 THR A 62 1.984 6.573 -3.509 1.00 54.11 H new ATOM 0 HG23 THR A 62 3.506 6.628 -4.430 1.00 54.11 H new ATOM 971 N TRP A 63 1.017 9.339 -2.105 1.00 73.41 N ATOM 972 CA TRP A 63 -0.435 9.541 -2.210 1.00 71.23 C ATOM 973 C TRP A 63 -0.776 10.810 -3.013 1.00 64.35 C ATOM 974 O TRP A 63 -1.755 10.806 -3.752 1.00 43.24 O ATOM 975 CB TRP A 63 -1.105 9.583 -0.806 1.00 74.42 C ATOM 976 CG TRP A 63 -2.546 10.064 -0.824 1.00 51.33 C ATOM 977 CD1 TRP A 63 -3.023 11.227 -0.297 1.00 15.35 C ATOM 978 CD2 TRP A 63 -3.672 9.428 -1.459 1.00 23.40 C ATOM 979 NE1 TRP A 63 -4.363 11.339 -0.533 1.00 23.42 N ATOM 980 CE2 TRP A 63 -4.783 10.254 -1.246 1.00 11.22 C ATOM 981 CE3 TRP A 63 -3.849 8.237 -2.175 1.00 54.22 C ATOM 982 CZ2 TRP A 63 -6.048 9.937 -1.720 1.00 40.43 C ATOM 983 CZ3 TRP A 63 -5.109 7.924 -2.650 1.00 35.03 C ATOM 984 CH2 TRP A 63 -6.195 8.773 -2.421 1.00 11.54 C ATOM 0 H TRP A 63 1.364 9.347 -1.146 1.00 73.41 H new ATOM 0 HA TRP A 63 -0.838 8.685 -2.752 1.00 71.23 H new ATOM 0 HB2 TRP A 63 -1.071 8.585 -0.368 1.00 74.42 H new ATOM 0 HB3 TRP A 63 -0.523 10.236 -0.156 1.00 74.42 H new ATOM 0 HD1 TRP A 63 -2.426 11.956 0.232 1.00 15.35 H new ATOM 0 HE1 TRP A 63 -4.955 12.110 -0.226 1.00 23.42 H new ATOM 0 HE3 TRP A 63 -3.015 7.574 -2.353 1.00 54.22 H new ATOM 0 HZ2 TRP A 63 -6.890 10.589 -1.541 1.00 40.43 H new ATOM 0 HZ3 TRP A 63 -5.256 7.010 -3.206 1.00 35.03 H new ATOM 0 HH2 TRP A 63 -7.168 8.505 -2.805 1.00 11.54 H new ATOM 995 N LYS A 64 0.038 11.882 -2.866 1.00 43.54 N ATOM 996 CA LYS A 64 -0.179 13.152 -3.591 1.00 1.13 C ATOM 997 C LYS A 64 -0.269 12.939 -5.116 1.00 41.14 C ATOM 998 O LYS A 64 -1.054 13.607 -5.792 1.00 3.11 O ATOM 999 CB LYS A 64 0.951 14.166 -3.278 1.00 63.44 C ATOM 1000 CG LYS A 64 1.061 14.587 -1.804 1.00 71.53 C ATOM 1001 CD LYS A 64 -0.286 15.091 -1.236 1.00 43.14 C ATOM 1002 CE LYS A 64 -0.139 15.751 0.138 1.00 65.44 C ATOM 1003 NZ LYS A 64 -1.450 16.210 0.677 1.00 40.33 N ATOM 0 H LYS A 64 0.851 11.890 -2.251 1.00 43.54 H new ATOM 0 HA LYS A 64 -1.132 13.552 -3.245 1.00 1.13 H new ATOM 0 HB2 LYS A 64 1.902 13.733 -3.588 1.00 63.44 H new ATOM 0 HB3 LYS A 64 0.795 15.059 -3.884 1.00 63.44 H new ATOM 0 HG2 LYS A 64 1.409 13.741 -1.212 1.00 71.53 H new ATOM 0 HG3 LYS A 64 1.810 15.373 -1.708 1.00 71.53 H new ATOM 0 HD2 LYS A 64 -0.725 15.806 -1.933 1.00 43.14 H new ATOM 0 HD3 LYS A 64 -0.979 14.253 -1.160 1.00 43.14 H new ATOM 0 HE2 LYS A 64 0.312 15.044 0.834 1.00 65.44 H new ATOM 0 HE3 LYS A 64 0.540 16.600 0.062 1.00 65.44 H new ATOM 0 HZ1 LYS A 64 -1.307 16.651 1.608 1.00 40.33 H new ATOM 0 HZ2 LYS A 64 -1.869 16.904 0.026 1.00 40.33 H new ATOM 0 HZ3 LYS A 64 -2.090 15.396 0.774 1.00 40.33 H new ATOM 1017 N LYS A 65 0.512 11.972 -5.620 1.00 20.21 N ATOM 1018 CA LYS A 65 0.590 11.670 -7.058 1.00 10.14 C ATOM 1019 C LYS A 65 -0.632 10.860 -7.520 1.00 61.42 C ATOM 1020 O LYS A 65 -1.171 11.109 -8.598 1.00 73.05 O ATOM 1021 CB LYS A 65 1.914 10.928 -7.372 1.00 64.43 C ATOM 1022 CG LYS A 65 3.183 11.674 -6.898 1.00 24.14 C ATOM 1023 CD LYS A 65 3.257 13.130 -7.405 1.00 4.25 C ATOM 1024 CE LYS A 65 3.309 13.236 -8.933 1.00 63.51 C ATOM 1025 NZ LYS A 65 3.121 14.639 -9.381 1.00 1.41 N ATOM 0 H LYS A 65 1.107 11.377 -5.043 1.00 20.21 H new ATOM 0 HA LYS A 65 0.583 12.608 -7.613 1.00 10.14 H new ATOM 0 HB2 LYS A 65 1.887 9.945 -6.903 1.00 64.43 H new ATOM 0 HB3 LYS A 65 1.981 10.766 -8.448 1.00 64.43 H new ATOM 0 HG2 LYS A 65 3.211 11.674 -5.808 1.00 24.14 H new ATOM 0 HG3 LYS A 65 4.065 11.132 -7.240 1.00 24.14 H new ATOM 0 HD2 LYS A 65 2.390 13.680 -7.039 1.00 4.25 H new ATOM 0 HD3 LYS A 65 4.140 13.610 -6.984 1.00 4.25 H new ATOM 0 HE2 LYS A 65 4.267 12.862 -9.294 1.00 63.51 H new ATOM 0 HE3 LYS A 65 2.535 12.605 -9.370 1.00 63.51 H new ATOM 0 HZ1 LYS A 65 3.262 14.697 -10.410 1.00 1.41 H new ATOM 0 HZ2 LYS A 65 2.158 14.953 -9.145 1.00 1.41 H new ATOM 0 HZ3 LYS A 65 3.812 15.252 -8.902 1.00 1.41 H new ATOM 1039 N VAL A 66 -1.069 9.910 -6.670 1.00 54.10 N ATOM 1040 CA VAL A 66 -2.310 9.138 -6.890 1.00 41.24 C ATOM 1041 C VAL A 66 -3.520 10.099 -6.908 1.00 11.21 C ATOM 1042 O VAL A 66 -4.418 9.989 -7.748 1.00 21.31 O ATOM 1043 CB VAL A 66 -2.505 8.057 -5.763 1.00 60.23 C ATOM 1044 CG1 VAL A 66 -3.767 7.191 -5.994 1.00 43.42 C ATOM 1045 CG2 VAL A 66 -1.243 7.179 -5.622 1.00 64.40 C ATOM 0 H VAL A 66 -0.575 9.656 -5.815 1.00 54.10 H new ATOM 0 HA VAL A 66 -2.234 8.624 -7.848 1.00 41.24 H new ATOM 0 HB VAL A 66 -2.658 8.592 -4.825 1.00 60.23 H new ATOM 0 HG11 VAL A 66 -3.859 6.460 -5.191 1.00 43.42 H new ATOM 0 HG12 VAL A 66 -4.650 7.830 -6.005 1.00 43.42 H new ATOM 0 HG13 VAL A 66 -3.682 6.672 -6.949 1.00 43.42 H new ATOM 0 HG21 VAL A 66 -1.400 6.439 -4.837 1.00 64.40 H new ATOM 0 HG22 VAL A 66 -1.046 6.671 -6.566 1.00 64.40 H new ATOM 0 HG23 VAL A 66 -0.390 7.807 -5.363 1.00 64.40 H new ATOM 1055 N TYR A 67 -3.462 11.069 -5.983 1.00 44.13 N ATOM 1056 CA TYR A 67 -4.478 12.117 -5.780 1.00 12.35 C ATOM 1057 C TYR A 67 -4.579 13.023 -7.022 1.00 4.41 C ATOM 1058 O TYR A 67 -5.685 13.447 -7.395 1.00 31.33 O ATOM 1059 CB TYR A 67 -4.093 12.930 -4.507 1.00 12.13 C ATOM 1060 CG TYR A 67 -5.006 14.115 -4.158 1.00 61.34 C ATOM 1061 CD1 TYR A 67 -6.177 13.934 -3.420 1.00 64.33 C ATOM 1062 CD2 TYR A 67 -4.682 15.416 -4.556 1.00 2.13 C ATOM 1063 CE1 TYR A 67 -6.987 15.005 -3.098 1.00 22.41 C ATOM 1064 CE2 TYR A 67 -5.491 16.488 -4.237 1.00 1.22 C ATOM 1065 CZ TYR A 67 -6.641 16.278 -3.508 1.00 52.44 C ATOM 1066 OH TYR A 67 -7.453 17.346 -3.184 1.00 70.22 O ATOM 0 H TYR A 67 -2.680 11.150 -5.333 1.00 44.13 H new ATOM 0 HA TYR A 67 -5.461 11.667 -5.636 1.00 12.35 H new ATOM 0 HB2 TYR A 67 -4.077 12.248 -3.657 1.00 12.13 H new ATOM 0 HB3 TYR A 67 -3.078 13.305 -4.634 1.00 12.13 H new ATOM 0 HD1 TYR A 67 -6.454 12.942 -3.096 1.00 64.33 H new ATOM 0 HD2 TYR A 67 -3.780 15.586 -5.125 1.00 2.13 H new ATOM 0 HE1 TYR A 67 -7.890 14.848 -2.526 1.00 22.41 H new ATOM 0 HE2 TYR A 67 -5.224 17.485 -4.557 1.00 1.22 H new ATOM 0 HH TYR A 67 -7.068 18.171 -3.546 1.00 70.22 H new ATOM 1076 N ASP A 68 -3.408 13.308 -7.652 1.00 22.51 N ATOM 1077 CA ASP A 68 -3.347 14.053 -8.923 1.00 11.14 C ATOM 1078 C ASP A 68 -4.139 13.292 -9.996 1.00 2.20 C ATOM 1079 O ASP A 68 -5.080 13.823 -10.582 1.00 40.22 O ATOM 1080 CB ASP A 68 -1.880 14.244 -9.433 1.00 22.43 C ATOM 1081 CG ASP A 68 -0.980 15.113 -8.536 1.00 34.44 C ATOM 1082 OD1 ASP A 68 -1.463 16.102 -7.957 1.00 52.52 O ATOM 1083 OD2 ASP A 68 0.235 14.817 -8.420 1.00 63.51 O ATOM 0 H ASP A 68 -2.495 13.029 -7.293 1.00 22.51 H new ATOM 0 HA ASP A 68 -3.774 15.039 -8.740 1.00 11.14 H new ATOM 0 HB2 ASP A 68 -1.419 13.262 -9.540 1.00 22.43 H new ATOM 0 HB3 ASP A 68 -1.913 14.690 -10.427 1.00 22.43 H new ATOM 1088 N LEU A 69 -3.759 12.008 -10.176 1.00 5.21 N ATOM 1089 CA LEU A 69 -4.275 11.127 -11.245 1.00 42.32 C ATOM 1090 C LEU A 69 -5.801 10.940 -11.169 1.00 23.32 C ATOM 1091 O LEU A 69 -6.475 10.925 -12.207 1.00 3.02 O ATOM 1092 CB LEU A 69 -3.575 9.753 -11.168 1.00 14.33 C ATOM 1093 CG LEU A 69 -2.033 9.771 -11.343 1.00 41.02 C ATOM 1094 CD1 LEU A 69 -1.450 8.382 -11.054 1.00 51.41 C ATOM 1095 CD2 LEU A 69 -1.623 10.280 -12.746 1.00 43.22 C ATOM 0 H LEU A 69 -3.076 11.549 -9.574 1.00 5.21 H new ATOM 0 HA LEU A 69 -4.056 11.608 -12.198 1.00 42.32 H new ATOM 0 HB2 LEU A 69 -3.807 9.301 -10.204 1.00 14.33 H new ATOM 0 HB3 LEU A 69 -4.001 9.105 -11.934 1.00 14.33 H new ATOM 0 HG LEU A 69 -1.617 10.473 -10.621 1.00 41.02 H new ATOM 0 HD11 LEU A 69 -0.368 8.408 -11.180 1.00 51.41 H new ATOM 0 HD12 LEU A 69 -1.689 8.093 -10.031 1.00 51.41 H new ATOM 0 HD13 LEU A 69 -1.878 7.656 -11.745 1.00 51.41 H new ATOM 0 HD21 LEU A 69 -0.536 10.278 -12.830 1.00 43.22 H new ATOM 0 HD22 LEU A 69 -2.047 9.627 -13.508 1.00 43.22 H new ATOM 0 HD23 LEU A 69 -1.996 11.294 -12.889 1.00 43.22 H new ATOM 1107 N LEU A 70 -6.320 10.809 -9.931 1.00 12.23 N ATOM 1108 CA LEU A 70 -7.765 10.644 -9.675 1.00 63.43 C ATOM 1109 C LEU A 70 -8.549 11.844 -10.240 1.00 22.24 C ATOM 1110 O LEU A 70 -9.411 11.678 -11.110 1.00 2.00 O ATOM 1111 CB LEU A 70 -8.041 10.472 -8.149 1.00 2.12 C ATOM 1112 CG LEU A 70 -7.469 9.175 -7.490 1.00 41.33 C ATOM 1113 CD1 LEU A 70 -7.720 9.165 -5.967 1.00 22.33 C ATOM 1114 CD2 LEU A 70 -8.037 7.904 -8.163 1.00 63.12 C ATOM 0 H LEU A 70 -5.752 10.815 -9.084 1.00 12.23 H new ATOM 0 HA LEU A 70 -8.104 9.741 -10.182 1.00 63.43 H new ATOM 0 HB2 LEU A 70 -7.627 11.334 -7.626 1.00 2.12 H new ATOM 0 HB3 LEU A 70 -9.119 10.491 -7.991 1.00 2.12 H new ATOM 0 HG LEU A 70 -6.390 9.174 -7.646 1.00 41.33 H new ATOM 0 HD11 LEU A 70 -7.311 8.251 -5.537 1.00 22.33 H new ATOM 0 HD12 LEU A 70 -7.234 10.029 -5.513 1.00 22.33 H new ATOM 0 HD13 LEU A 70 -8.792 9.209 -5.775 1.00 22.33 H new ATOM 0 HD21 LEU A 70 -7.619 7.020 -7.681 1.00 63.12 H new ATOM 0 HD22 LEU A 70 -9.122 7.893 -8.063 1.00 63.12 H new ATOM 0 HD23 LEU A 70 -7.770 7.902 -9.220 1.00 63.12 H new ATOM 1126 N ILE A 71 -8.168 13.052 -9.794 1.00 40.04 N ATOM 1127 CA ILE A 71 -8.838 14.314 -10.178 1.00 51.43 C ATOM 1128 C ILE A 71 -8.583 14.644 -11.665 1.00 54.20 C ATOM 1129 O ILE A 71 -9.454 15.206 -12.350 1.00 70.11 O ATOM 1130 CB ILE A 71 -8.352 15.503 -9.264 1.00 44.54 C ATOM 1131 CG1 ILE A 71 -8.518 15.126 -7.759 1.00 13.42 C ATOM 1132 CG2 ILE A 71 -9.107 16.817 -9.588 1.00 73.34 C ATOM 1133 CD1 ILE A 71 -8.077 16.193 -6.782 1.00 42.23 C ATOM 0 H ILE A 71 -7.385 13.186 -9.155 1.00 40.04 H new ATOM 0 HA ILE A 71 -9.910 14.181 -10.035 1.00 51.43 H new ATOM 0 HB ILE A 71 -7.296 15.676 -9.470 1.00 44.54 H new ATOM 0 HG12 ILE A 71 -9.566 14.893 -7.571 1.00 13.42 H new ATOM 0 HG13 ILE A 71 -7.950 14.217 -7.563 1.00 13.42 H new ATOM 0 HG21 ILE A 71 -8.745 17.614 -8.938 1.00 73.34 H new ATOM 0 HG22 ILE A 71 -8.932 17.090 -10.629 1.00 73.34 H new ATOM 0 HG23 ILE A 71 -10.175 16.673 -9.425 1.00 73.34 H new ATOM 0 HD11 ILE A 71 -8.231 15.839 -5.763 1.00 42.23 H new ATOM 0 HD12 ILE A 71 -7.020 16.412 -6.935 1.00 42.23 H new ATOM 0 HD13 ILE A 71 -8.662 17.098 -6.944 1.00 42.23 H new ATOM 1145 N LEU A 72 -7.393 14.264 -12.146 1.00 15.22 N ATOM 1146 CA LEU A 72 -6.934 14.530 -13.518 1.00 72.21 C ATOM 1147 C LEU A 72 -7.822 13.779 -14.517 1.00 15.51 C ATOM 1148 O LEU A 72 -8.296 14.369 -15.492 1.00 44.51 O ATOM 1149 CB LEU A 72 -5.421 14.136 -13.645 1.00 54.11 C ATOM 1150 CG LEU A 72 -4.647 14.526 -14.963 1.00 61.23 C ATOM 1151 CD1 LEU A 72 -4.905 13.535 -16.126 1.00 65.03 C ATOM 1152 CD2 LEU A 72 -4.952 15.987 -15.384 1.00 20.23 C ATOM 0 H LEU A 72 -6.710 13.755 -11.585 1.00 15.22 H new ATOM 0 HA LEU A 72 -7.018 15.592 -13.749 1.00 72.21 H new ATOM 0 HB2 LEU A 72 -4.891 14.584 -12.805 1.00 54.11 H new ATOM 0 HB3 LEU A 72 -5.350 13.055 -13.527 1.00 54.11 H new ATOM 0 HG LEU A 72 -3.584 14.457 -14.731 1.00 61.23 H new ATOM 0 HD11 LEU A 72 -4.347 13.854 -17.006 1.00 65.03 H new ATOM 0 HD12 LEU A 72 -4.580 12.537 -15.832 1.00 65.03 H new ATOM 0 HD13 LEU A 72 -5.970 13.516 -16.359 1.00 65.03 H new ATOM 0 HD21 LEU A 72 -4.404 16.225 -16.295 1.00 20.23 H new ATOM 0 HD22 LEU A 72 -6.021 16.098 -15.564 1.00 20.23 H new ATOM 0 HD23 LEU A 72 -4.646 16.666 -14.588 1.00 20.23 H new ATOM 1164 N HIS A 73 -8.073 12.489 -14.242 1.00 51.42 N ATOM 1165 CA HIS A 73 -8.898 11.645 -15.115 1.00 14.14 C ATOM 1166 C HIS A 73 -10.381 12.004 -14.943 1.00 11.24 C ATOM 1167 O HIS A 73 -10.996 12.515 -15.882 1.00 2.03 O ATOM 1168 CB HIS A 73 -8.649 10.141 -14.831 1.00 50.42 C ATOM 1169 CG HIS A 73 -7.333 9.633 -15.348 1.00 22.13 C ATOM 1170 ND1 HIS A 73 -7.224 8.510 -16.139 1.00 14.34 N ATOM 1171 CD2 HIS A 73 -6.065 10.095 -15.186 1.00 21.45 C ATOM 1172 CE1 HIS A 73 -5.960 8.307 -16.437 1.00 52.40 C ATOM 1173 NE2 HIS A 73 -5.236 9.251 -15.872 1.00 33.02 N ATOM 0 H HIS A 73 -7.714 12.008 -13.418 1.00 51.42 H new ATOM 0 HA HIS A 73 -8.615 11.833 -16.151 1.00 14.14 H new ATOM 0 HB2 HIS A 73 -8.695 9.972 -13.755 1.00 50.42 H new ATOM 0 HB3 HIS A 73 -9.454 9.559 -15.280 1.00 50.42 H new ATOM 0 HD2 HIS A 73 -5.768 10.966 -14.621 1.00 21.45 H new ATOM 0 HE1 HIS A 73 -5.578 7.500 -17.045 1.00 52.40 H new ATOM 0 HE2 HIS A 73 -4.222 9.338 -15.936 1.00 33.02 H new ATOM 1182 N ASP A 74 -10.895 11.805 -13.711 1.00 71.23 N ATOM 1183 CA ASP A 74 -12.309 12.044 -13.340 1.00 51.42 C ATOM 1184 C ASP A 74 -12.554 11.469 -11.934 1.00 54.51 C ATOM 1185 O ASP A 74 -12.859 10.286 -11.809 1.00 32.14 O ATOM 1186 CB ASP A 74 -13.303 11.391 -14.365 1.00 55.54 C ATOM 1187 CG ASP A 74 -14.785 11.621 -14.022 1.00 12.15 C ATOM 1188 OD1 ASP A 74 -15.341 12.676 -14.399 1.00 21.35 O ATOM 1189 OD2 ASP A 74 -15.404 10.747 -13.380 1.00 42.44 O ATOM 0 H ASP A 74 -10.330 11.468 -12.931 1.00 71.23 H new ATOM 0 HA ASP A 74 -12.492 13.118 -13.352 1.00 51.42 H new ATOM 0 HB2 ASP A 74 -13.103 11.793 -15.358 1.00 55.54 H new ATOM 0 HB3 ASP A 74 -13.112 10.319 -14.410 1.00 55.54 H new ATOM 1194 N PHE A 75 -12.344 12.296 -10.891 1.00 33.50 N ATOM 1195 CA PHE A 75 -12.635 11.930 -9.481 1.00 0.42 C ATOM 1196 C PHE A 75 -12.347 13.154 -8.589 1.00 12.24 C ATOM 1197 O PHE A 75 -11.214 13.355 -8.149 1.00 61.23 O ATOM 1198 CB PHE A 75 -11.794 10.687 -9.029 1.00 71.44 C ATOM 1199 CG PHE A 75 -12.336 9.909 -7.828 1.00 41.02 C ATOM 1200 CD1 PHE A 75 -13.686 9.578 -7.747 1.00 52.03 C ATOM 1201 CD2 PHE A 75 -11.496 9.482 -6.809 1.00 74.35 C ATOM 1202 CE1 PHE A 75 -14.173 8.853 -6.681 1.00 73.20 C ATOM 1203 CE2 PHE A 75 -11.985 8.755 -5.748 1.00 72.53 C ATOM 1204 CZ PHE A 75 -13.320 8.444 -5.683 1.00 63.35 C ATOM 0 H PHE A 75 -11.968 13.238 -10.997 1.00 33.50 H new ATOM 0 HA PHE A 75 -13.684 11.648 -9.387 1.00 0.42 H new ATOM 0 HB2 PHE A 75 -11.713 10.002 -9.873 1.00 71.44 H new ATOM 0 HB3 PHE A 75 -10.784 11.023 -8.793 1.00 71.44 H new ATOM 0 HD1 PHE A 75 -14.360 9.893 -8.530 1.00 52.03 H new ATOM 0 HD2 PHE A 75 -10.444 9.724 -6.849 1.00 74.35 H new ATOM 0 HE1 PHE A 75 -15.223 8.606 -6.629 1.00 73.20 H new ATOM 0 HE2 PHE A 75 -11.317 8.428 -4.965 1.00 72.53 H new ATOM 0 HZ PHE A 75 -13.701 7.877 -4.847 1.00 63.35 H new ATOM 1214 N THR A 76 -13.389 13.972 -8.354 1.00 23.45 N ATOM 1215 CA THR A 76 -13.275 15.293 -7.707 1.00 61.42 C ATOM 1216 C THR A 76 -12.773 15.154 -6.229 1.00 55.45 C ATOM 1217 O THR A 76 -13.032 14.123 -5.595 1.00 73.22 O ATOM 1218 CB THR A 76 -14.663 16.066 -7.804 1.00 33.22 C ATOM 1219 OG1 THR A 76 -14.470 17.486 -7.723 1.00 73.20 O ATOM 1220 CG2 THR A 76 -15.673 15.650 -6.722 1.00 3.22 C ATOM 0 H THR A 76 -14.346 13.732 -8.611 1.00 23.45 H new ATOM 0 HA THR A 76 -12.527 15.885 -8.234 1.00 61.42 H new ATOM 0 HB THR A 76 -15.076 15.791 -8.774 1.00 33.22 H new ATOM 0 HG1 THR A 76 -15.337 17.938 -7.787 1.00 73.20 H new ATOM 0 HG21 THR A 76 -16.596 16.216 -6.848 1.00 3.22 H new ATOM 0 HG22 THR A 76 -15.886 14.585 -6.813 1.00 3.22 H new ATOM 0 HG23 THR A 76 -15.255 15.853 -5.736 1.00 3.22 H new ATOM 1228 N PRO A 77 -12.025 16.178 -5.669 1.00 72.02 N ATOM 1229 CA PRO A 77 -11.465 16.131 -4.283 1.00 1.03 C ATOM 1230 C PRO A 77 -12.504 15.809 -3.196 1.00 54.50 C ATOM 1231 O PRO A 77 -12.157 15.194 -2.184 1.00 22.24 O ATOM 1232 CB PRO A 77 -10.848 17.548 -4.079 1.00 12.14 C ATOM 1233 CG PRO A 77 -11.424 18.391 -5.181 1.00 25.54 C ATOM 1234 CD PRO A 77 -11.629 17.446 -6.340 1.00 44.03 C ATOM 0 HA PRO A 77 -10.741 15.322 -4.185 1.00 1.03 H new ATOM 0 HB2 PRO A 77 -11.104 17.952 -3.099 1.00 12.14 H new ATOM 0 HB3 PRO A 77 -9.760 17.516 -4.136 1.00 12.14 H new ATOM 0 HG2 PRO A 77 -12.365 18.848 -4.875 1.00 25.54 H new ATOM 0 HG3 PRO A 77 -10.748 19.202 -5.450 1.00 25.54 H new ATOM 0 HD2 PRO A 77 -12.403 17.802 -7.020 1.00 44.03 H new ATOM 0 HD3 PRO A 77 -10.719 17.325 -6.928 1.00 44.03 H new ATOM 1242 N GLU A 78 -13.771 16.210 -3.440 1.00 31.24 N ATOM 1243 CA GLU A 78 -14.899 15.960 -2.519 1.00 13.42 C ATOM 1244 C GLU A 78 -15.202 14.455 -2.368 1.00 42.11 C ATOM 1245 O GLU A 78 -15.503 13.993 -1.266 1.00 24.55 O ATOM 1246 CB GLU A 78 -16.159 16.720 -2.992 1.00 14.15 C ATOM 1247 CG GLU A 78 -16.023 18.251 -2.925 1.00 52.41 C ATOM 1248 CD GLU A 78 -17.248 18.997 -3.471 1.00 50.31 C ATOM 1249 OE1 GLU A 78 -18.340 18.890 -2.870 1.00 60.52 O ATOM 1250 OE2 GLU A 78 -17.129 19.681 -4.506 1.00 72.34 O ATOM 0 H GLU A 78 -14.040 16.717 -4.283 1.00 31.24 H new ATOM 0 HA GLU A 78 -14.606 16.332 -1.537 1.00 13.42 H new ATOM 0 HB2 GLU A 78 -16.383 16.429 -4.018 1.00 14.15 H new ATOM 0 HB3 GLU A 78 -17.008 16.413 -2.381 1.00 14.15 H new ATOM 0 HG2 GLU A 78 -15.858 18.549 -1.890 1.00 52.41 H new ATOM 0 HG3 GLU A 78 -15.141 18.555 -3.489 1.00 52.41 H new ATOM 1257 N GLU A 79 -15.110 13.706 -3.479 1.00 41.22 N ATOM 1258 CA GLU A 79 -15.329 12.243 -3.481 1.00 42.14 C ATOM 1259 C GLU A 79 -14.210 11.529 -2.701 1.00 61.43 C ATOM 1260 O GLU A 79 -14.487 10.721 -1.810 1.00 24.33 O ATOM 1261 CB GLU A 79 -15.385 11.703 -4.930 1.00 21.32 C ATOM 1262 CG GLU A 79 -16.555 12.240 -5.765 1.00 54.12 C ATOM 1263 CD GLU A 79 -16.514 11.744 -7.217 1.00 63.12 C ATOM 1264 OE1 GLU A 79 -17.035 10.642 -7.495 1.00 2.33 O ATOM 1265 OE2 GLU A 79 -15.947 12.438 -8.080 1.00 34.24 O ATOM 0 H GLU A 79 -14.884 14.090 -4.396 1.00 41.22 H new ATOM 0 HA GLU A 79 -16.283 12.042 -2.994 1.00 42.14 H new ATOM 0 HB2 GLU A 79 -14.451 11.953 -5.434 1.00 21.32 H new ATOM 0 HB3 GLU A 79 -15.448 10.615 -4.897 1.00 21.32 H new ATOM 0 HG2 GLU A 79 -17.495 11.935 -5.306 1.00 54.12 H new ATOM 0 HG3 GLU A 79 -16.535 13.330 -5.755 1.00 54.12 H new ATOM 1272 N ILE A 80 -12.959 11.885 -3.050 1.00 31.32 N ATOM 1273 CA ILE A 80 -11.733 11.330 -2.444 1.00 24.14 C ATOM 1274 C ILE A 80 -11.775 11.423 -0.900 1.00 32.33 C ATOM 1275 O ILE A 80 -11.676 10.400 -0.204 1.00 24.14 O ATOM 1276 CB ILE A 80 -10.462 12.083 -3.000 1.00 74.44 C ATOM 1277 CG1 ILE A 80 -10.441 12.033 -4.561 1.00 53.43 C ATOM 1278 CG2 ILE A 80 -9.160 11.501 -2.403 1.00 24.15 C ATOM 1279 CD1 ILE A 80 -9.260 12.725 -5.206 1.00 52.24 C ATOM 0 H ILE A 80 -12.768 12.578 -3.773 1.00 31.32 H new ATOM 0 HA ILE A 80 -11.672 10.276 -2.715 1.00 24.14 H new ATOM 0 HB ILE A 80 -10.521 13.127 -2.692 1.00 74.44 H new ATOM 0 HG12 ILE A 80 -10.449 10.990 -4.876 1.00 53.43 H new ATOM 0 HG13 ILE A 80 -11.358 12.486 -4.937 1.00 53.43 H new ATOM 0 HG21 ILE A 80 -8.302 12.040 -2.805 1.00 24.15 H new ATOM 0 HG22 ILE A 80 -9.178 11.606 -1.318 1.00 24.15 H new ATOM 0 HG23 ILE A 80 -9.080 10.446 -2.664 1.00 24.15 H new ATOM 0 HD11 ILE A 80 -9.334 12.636 -6.290 1.00 52.24 H new ATOM 0 HD12 ILE A 80 -9.259 13.779 -4.927 1.00 52.24 H new ATOM 0 HD13 ILE A 80 -8.335 12.259 -4.866 1.00 52.24 H new ATOM 1291 N LYS A 81 -11.989 12.653 -0.392 1.00 51.11 N ATOM 1292 CA LYS A 81 -12.020 12.937 1.058 1.00 44.43 C ATOM 1293 C LYS A 81 -13.206 12.246 1.754 1.00 15.54 C ATOM 1294 O LYS A 81 -13.110 11.909 2.922 1.00 12.35 O ATOM 1295 CB LYS A 81 -12.037 14.467 1.312 1.00 21.05 C ATOM 1296 CG LYS A 81 -13.278 15.196 0.765 1.00 12.31 C ATOM 1297 CD LYS A 81 -13.105 16.729 0.675 1.00 42.32 C ATOM 1298 CE LYS A 81 -12.933 17.401 2.047 1.00 13.23 C ATOM 1299 NZ LYS A 81 -14.129 17.224 2.917 1.00 13.11 N ATOM 0 H LYS A 81 -12.145 13.476 -0.973 1.00 51.11 H new ATOM 0 HA LYS A 81 -11.111 12.524 1.495 1.00 44.43 H new ATOM 0 HB2 LYS A 81 -11.972 14.644 2.386 1.00 21.05 H new ATOM 0 HB3 LYS A 81 -11.147 14.906 0.862 1.00 21.05 H new ATOM 0 HG2 LYS A 81 -13.511 14.806 -0.226 1.00 12.31 H new ATOM 0 HG3 LYS A 81 -14.132 14.972 1.404 1.00 12.31 H new ATOM 0 HD2 LYS A 81 -12.237 16.954 0.056 1.00 42.32 H new ATOM 0 HD3 LYS A 81 -13.973 17.157 0.174 1.00 42.32 H new ATOM 0 HE2 LYS A 81 -12.058 16.984 2.546 1.00 13.23 H new ATOM 0 HE3 LYS A 81 -12.743 18.465 1.907 1.00 13.23 H new ATOM 0 HZ1 LYS A 81 -14.188 18.014 3.591 1.00 13.11 H new ATOM 0 HZ2 LYS A 81 -14.986 17.205 2.329 1.00 13.11 H new ATOM 0 HZ3 LYS A 81 -14.048 16.329 3.440 1.00 13.11 H new ATOM 1313 N SER A 82 -14.302 12.002 1.011 1.00 23.43 N ATOM 1314 CA SER A 82 -15.505 11.328 1.544 1.00 33.03 C ATOM 1315 C SER A 82 -15.254 9.828 1.810 1.00 24.32 C ATOM 1316 O SER A 82 -15.908 9.237 2.672 1.00 4.45 O ATOM 1317 CB SER A 82 -16.676 11.506 0.557 1.00 11.01 C ATOM 1318 OG SER A 82 -17.871 10.895 1.019 1.00 55.03 O ATOM 0 H SER A 82 -14.380 12.265 0.028 1.00 23.43 H new ATOM 0 HA SER A 82 -15.755 11.789 2.499 1.00 33.03 H new ATOM 0 HB2 SER A 82 -16.854 12.569 0.396 1.00 11.01 H new ATOM 0 HB3 SER A 82 -16.402 11.079 -0.408 1.00 11.01 H new ATOM 0 HG SER A 82 -18.585 11.035 0.362 1.00 55.03 H new ATOM 1324 N PHE A 83 -14.320 9.216 1.053 1.00 73.52 N ATOM 1325 CA PHE A 83 -13.905 7.812 1.291 1.00 73.50 C ATOM 1326 C PHE A 83 -12.915 7.704 2.464 1.00 21.32 C ATOM 1327 O PHE A 83 -12.621 6.598 2.913 1.00 15.12 O ATOM 1328 CB PHE A 83 -13.322 7.167 0.005 1.00 50.34 C ATOM 1329 CG PHE A 83 -14.379 6.868 -1.068 1.00 25.12 C ATOM 1330 CD1 PHE A 83 -15.221 5.761 -0.945 1.00 24.42 C ATOM 1331 CD2 PHE A 83 -14.546 7.694 -2.178 1.00 10.42 C ATOM 1332 CE1 PHE A 83 -16.188 5.488 -1.899 1.00 41.45 C ATOM 1333 CE2 PHE A 83 -15.517 7.423 -3.129 1.00 24.11 C ATOM 1334 CZ PHE A 83 -16.336 6.320 -2.991 1.00 24.13 C ATOM 0 H PHE A 83 -13.839 9.667 0.275 1.00 73.52 H new ATOM 0 HA PHE A 83 -14.800 7.254 1.565 1.00 73.50 H new ATOM 0 HB2 PHE A 83 -12.568 7.833 -0.415 1.00 50.34 H new ATOM 0 HB3 PHE A 83 -12.815 6.240 0.272 1.00 50.34 H new ATOM 0 HD1 PHE A 83 -15.117 5.107 -0.092 1.00 24.42 H new ATOM 0 HD2 PHE A 83 -13.909 8.558 -2.299 1.00 10.42 H new ATOM 0 HE1 PHE A 83 -16.826 4.624 -1.788 1.00 41.45 H new ATOM 0 HE2 PHE A 83 -15.633 8.077 -3.981 1.00 24.11 H new ATOM 0 HZ PHE A 83 -17.090 6.109 -3.735 1.00 24.13 H new ATOM 1344 N PHE A 84 -12.388 8.853 2.929 1.00 40.24 N ATOM 1345 CA PHE A 84 -11.672 8.950 4.225 1.00 43.11 C ATOM 1346 C PHE A 84 -12.700 9.171 5.354 1.00 4.55 C ATOM 1347 O PHE A 84 -12.627 8.552 6.421 1.00 12.12 O ATOM 1348 CB PHE A 84 -10.651 10.123 4.224 1.00 21.21 C ATOM 1349 CG PHE A 84 -9.450 9.933 3.299 1.00 42.22 C ATOM 1350 CD1 PHE A 84 -8.319 9.245 3.735 1.00 14.24 C ATOM 1351 CD2 PHE A 84 -9.438 10.459 2.009 1.00 1.24 C ATOM 1352 CE1 PHE A 84 -7.224 9.086 2.910 1.00 32.21 C ATOM 1353 CE2 PHE A 84 -8.339 10.305 1.186 1.00 72.33 C ATOM 1354 CZ PHE A 84 -7.232 9.617 1.639 1.00 75.31 C ATOM 0 H PHE A 84 -12.443 9.737 2.424 1.00 40.24 H new ATOM 0 HA PHE A 84 -11.123 8.022 4.384 1.00 43.11 H new ATOM 0 HB2 PHE A 84 -11.171 11.037 3.937 1.00 21.21 H new ATOM 0 HB3 PHE A 84 -10.288 10.269 5.241 1.00 21.21 H new ATOM 0 HD1 PHE A 84 -8.299 8.831 4.732 1.00 14.24 H new ATOM 0 HD2 PHE A 84 -10.302 10.996 1.646 1.00 1.24 H new ATOM 0 HE1 PHE A 84 -6.359 8.544 3.262 1.00 32.21 H new ATOM 0 HE2 PHE A 84 -8.346 10.722 0.190 1.00 72.33 H new ATOM 0 HZ PHE A 84 -6.372 9.495 0.997 1.00 75.31 H new ATOM 1364 N GLU A 85 -13.662 10.057 5.075 1.00 4.22 N ATOM 1365 CA GLU A 85 -14.705 10.494 6.023 1.00 52.35 C ATOM 1366 C GLU A 85 -15.984 9.671 5.805 1.00 64.43 C ATOM 1367 O GLU A 85 -17.100 10.216 5.816 1.00 23.00 O ATOM 1368 CB GLU A 85 -14.974 12.011 5.796 1.00 22.32 C ATOM 1369 CG GLU A 85 -13.715 12.896 5.844 1.00 50.24 C ATOM 1370 CD GLU A 85 -14.014 14.380 5.572 1.00 74.44 C ATOM 1371 OE1 GLU A 85 -13.988 14.797 4.394 1.00 1.11 O ATOM 1372 OE2 GLU A 85 -14.306 15.128 6.532 1.00 3.12 O ATOM 0 H GLU A 85 -13.743 10.504 4.162 1.00 4.22 H new ATOM 0 HA GLU A 85 -14.376 10.337 7.050 1.00 52.35 H new ATOM 0 HB2 GLU A 85 -15.457 12.141 4.828 1.00 22.32 H new ATOM 0 HB3 GLU A 85 -15.677 12.360 6.552 1.00 22.32 H new ATOM 0 HG2 GLU A 85 -13.246 12.799 6.823 1.00 50.24 H new ATOM 0 HG3 GLU A 85 -12.995 12.535 5.109 1.00 50.24 H new ATOM 1444 N ARG A 90 -16.870 1.261 6.081 1.00 54.43 N ATOM 1445 CA ARG A 90 -15.420 1.298 6.322 1.00 3.32 C ATOM 1446 C ARG A 90 -14.732 2.176 5.252 1.00 75.13 C ATOM 1447 O ARG A 90 -15.057 2.042 4.065 1.00 53.31 O ATOM 1448 CB ARG A 90 -14.858 -0.150 6.308 1.00 52.34 C ATOM 1449 CG ARG A 90 -13.321 -0.271 6.417 1.00 41.44 C ATOM 1450 CD ARG A 90 -12.871 -1.692 6.785 1.00 41.54 C ATOM 1451 NE ARG A 90 -13.405 -2.105 8.102 1.00 13.33 N ATOM 1452 CZ ARG A 90 -13.498 -3.373 8.548 1.00 41.52 C ATOM 1453 NH1 ARG A 90 -13.111 -4.398 7.797 1.00 4.32 N ATOM 1454 NH2 ARG A 90 -13.995 -3.606 9.753 1.00 43.44 N ATOM 0 HA ARG A 90 -15.218 1.738 7.299 1.00 3.32 H new ATOM 0 HB2 ARG A 90 -15.307 -0.703 7.133 1.00 52.34 H new ATOM 0 HB3 ARG A 90 -15.178 -0.636 5.386 1.00 52.34 H new ATOM 0 HG2 ARG A 90 -12.868 0.016 5.468 1.00 41.44 H new ATOM 0 HG3 ARG A 90 -12.956 0.429 7.169 1.00 41.44 H new ATOM 0 HD2 ARG A 90 -13.207 -2.391 6.019 1.00 41.54 H new ATOM 0 HD3 ARG A 90 -11.782 -1.737 6.802 1.00 41.54 H new ATOM 0 HE ARG A 90 -13.731 -1.366 8.726 1.00 13.33 H new ATOM 0 HH11 ARG A 90 -12.735 -4.233 6.863 1.00 4.32 H new ATOM 0 HH12 ARG A 90 -13.190 -5.350 8.154 1.00 4.32 H new ATOM 0 HH21 ARG A 90 -14.304 -2.828 10.336 1.00 43.44 H new ATOM 0 HH22 ARG A 90 -14.069 -4.563 10.098 1.00 43.44 H new ATOM 1468 N PRO A 91 -13.806 3.115 5.653 1.00 71.22 N ATOM 1469 CA PRO A 91 -13.040 3.947 4.689 1.00 4.53 C ATOM 1470 C PRO A 91 -12.289 3.099 3.635 1.00 51.13 C ATOM 1471 O PRO A 91 -11.544 2.178 3.989 1.00 44.35 O ATOM 1472 CB PRO A 91 -12.058 4.741 5.597 1.00 60.20 C ATOM 1473 CG PRO A 91 -12.719 4.777 6.941 1.00 71.14 C ATOM 1474 CD PRO A 91 -13.462 3.464 7.067 1.00 72.13 C ATOM 0 HA PRO A 91 -13.688 4.591 4.095 1.00 4.53 H new ATOM 0 HB2 PRO A 91 -11.085 4.253 5.648 1.00 60.20 H new ATOM 0 HB3 PRO A 91 -11.890 5.747 5.212 1.00 60.20 H new ATOM 0 HG2 PRO A 91 -11.982 4.888 7.737 1.00 71.14 H new ATOM 0 HG3 PRO A 91 -13.402 5.623 7.019 1.00 71.14 H new ATOM 0 HD2 PRO A 91 -12.842 2.696 7.530 1.00 72.13 H new ATOM 0 HD3 PRO A 91 -14.355 3.567 7.683 1.00 72.13 H new ATOM 1482 N VAL A 92 -12.549 3.387 2.348 1.00 23.35 N ATOM 1483 CA VAL A 92 -11.836 2.760 1.217 1.00 41.51 C ATOM 1484 C VAL A 92 -10.424 3.361 1.126 1.00 32.45 C ATOM 1485 O VAL A 92 -9.429 2.652 0.935 1.00 13.52 O ATOM 1486 CB VAL A 92 -12.618 2.965 -0.138 1.00 13.43 C ATOM 1487 CG1 VAL A 92 -11.876 2.331 -1.342 1.00 0.02 C ATOM 1488 CG2 VAL A 92 -14.061 2.417 -0.017 1.00 22.13 C ATOM 0 H VAL A 92 -13.259 4.061 2.061 1.00 23.35 H new ATOM 0 HA VAL A 92 -11.768 1.686 1.390 1.00 41.51 H new ATOM 0 HB VAL A 92 -12.669 4.037 -0.330 1.00 13.43 H new ATOM 0 HG11 VAL A 92 -12.452 2.497 -2.253 1.00 0.02 H new ATOM 0 HG12 VAL A 92 -10.893 2.789 -1.446 1.00 0.02 H new ATOM 0 HG13 VAL A 92 -11.761 1.260 -1.176 1.00 0.02 H new ATOM 0 HG21 VAL A 92 -14.587 2.566 -0.960 1.00 22.13 H new ATOM 0 HG22 VAL A 92 -14.028 1.353 0.216 1.00 22.13 H new ATOM 0 HG23 VAL A 92 -14.586 2.946 0.779 1.00 22.13 H new ATOM 1498 N PHE A 93 -10.371 4.690 1.263 1.00 50.21 N ATOM 1499 CA PHE A 93 -9.119 5.431 1.402 1.00 51.13 C ATOM 1500 C PHE A 93 -8.891 5.684 2.894 1.00 25.20 C ATOM 1501 O PHE A 93 -9.678 6.385 3.533 1.00 31.45 O ATOM 1502 CB PHE A 93 -9.184 6.768 0.627 1.00 54.44 C ATOM 1503 CG PHE A 93 -9.423 6.650 -0.878 1.00 61.05 C ATOM 1504 CD1 PHE A 93 -9.000 5.532 -1.601 1.00 45.24 C ATOM 1505 CD2 PHE A 93 -10.058 7.678 -1.573 1.00 72.14 C ATOM 1506 CE1 PHE A 93 -9.208 5.446 -2.965 1.00 63.25 C ATOM 1507 CE2 PHE A 93 -10.264 7.588 -2.932 1.00 23.24 C ATOM 1508 CZ PHE A 93 -9.841 6.473 -3.630 1.00 72.40 C ATOM 0 H PHE A 93 -11.201 5.282 1.280 1.00 50.21 H new ATOM 0 HA PHE A 93 -8.293 4.855 0.985 1.00 51.13 H new ATOM 0 HB2 PHE A 93 -9.979 7.377 1.056 1.00 54.44 H new ATOM 0 HB3 PHE A 93 -8.249 7.305 0.787 1.00 54.44 H new ATOM 0 HD1 PHE A 93 -8.503 4.723 -1.087 1.00 45.24 H new ATOM 0 HD2 PHE A 93 -10.392 8.556 -1.040 1.00 72.14 H new ATOM 0 HE1 PHE A 93 -8.875 4.574 -3.509 1.00 63.25 H new ATOM 0 HE2 PHE A 93 -10.759 8.393 -3.455 1.00 23.24 H new ATOM 0 HZ PHE A 93 -10.006 6.407 -4.695 1.00 72.40 H new ATOM 1518 N VAL A 94 -7.843 5.079 3.447 1.00 53.15 N ATOM 1519 CA VAL A 94 -7.520 5.169 4.881 1.00 34.20 C ATOM 1520 C VAL A 94 -6.198 5.936 5.071 1.00 63.34 C ATOM 1521 O VAL A 94 -5.329 5.891 4.201 1.00 44.23 O ATOM 1522 CB VAL A 94 -7.403 3.731 5.511 1.00 40.45 C ATOM 1523 CG1 VAL A 94 -7.135 3.811 7.017 1.00 44.55 C ATOM 1524 CG2 VAL A 94 -8.662 2.878 5.226 1.00 41.22 C ATOM 0 H VAL A 94 -7.186 4.508 2.916 1.00 53.15 H new ATOM 0 HA VAL A 94 -8.323 5.705 5.388 1.00 34.20 H new ATOM 0 HB VAL A 94 -6.555 3.238 5.036 1.00 40.45 H new ATOM 0 HG11 VAL A 94 -7.059 2.804 7.427 1.00 44.55 H new ATOM 0 HG12 VAL A 94 -6.202 4.346 7.193 1.00 44.55 H new ATOM 0 HG13 VAL A 94 -7.954 4.340 7.505 1.00 44.55 H new ATOM 0 HG21 VAL A 94 -8.544 1.893 5.677 1.00 41.22 H new ATOM 0 HG22 VAL A 94 -9.538 3.369 5.651 1.00 41.22 H new ATOM 0 HG23 VAL A 94 -8.793 2.771 4.149 1.00 41.22 H new ATOM 1534 N LYS A 95 -6.063 6.636 6.218 1.00 44.24 N ATOM 1535 CA LYS A 95 -4.828 7.342 6.602 1.00 52.15 C ATOM 1536 C LYS A 95 -4.649 7.348 8.131 1.00 20.33 C ATOM 1537 O LYS A 95 -5.550 6.955 8.875 1.00 4.53 O ATOM 1538 CB LYS A 95 -4.833 8.792 6.058 1.00 3.24 C ATOM 1539 CG LYS A 95 -5.999 9.671 6.566 1.00 73.34 C ATOM 1540 CD LYS A 95 -5.912 11.128 6.050 1.00 31.43 C ATOM 1541 CE LYS A 95 -4.671 11.863 6.582 1.00 0.11 C ATOM 1542 NZ LYS A 95 -4.552 13.242 6.034 1.00 4.23 N ATOM 0 H LYS A 95 -6.812 6.726 6.904 1.00 44.24 H new ATOM 0 HA LYS A 95 -3.987 6.807 6.160 1.00 52.15 H new ATOM 0 HB2 LYS A 95 -3.892 9.270 6.329 1.00 3.24 H new ATOM 0 HB3 LYS A 95 -4.871 8.757 4.969 1.00 3.24 H new ATOM 0 HG2 LYS A 95 -6.945 9.233 6.249 1.00 73.34 H new ATOM 0 HG3 LYS A 95 -5.999 9.674 7.656 1.00 73.34 H new ATOM 0 HD2 LYS A 95 -5.890 11.124 4.960 1.00 31.43 H new ATOM 0 HD3 LYS A 95 -6.809 11.671 6.349 1.00 31.43 H new ATOM 0 HE2 LYS A 95 -4.718 11.910 7.670 1.00 0.11 H new ATOM 0 HE3 LYS A 95 -3.777 11.294 6.326 1.00 0.11 H new ATOM 0 HZ1 LYS A 95 -4.105 13.859 6.742 1.00 4.23 H new ATOM 0 HZ2 LYS A 95 -3.970 13.224 5.173 1.00 4.23 H new ATOM 0 HZ3 LYS A 95 -5.498 13.607 5.805 1.00 4.23 H new ATOM 1556 N GLY A 96 -3.466 7.807 8.570 1.00 11.30 N ATOM 1557 CA GLY A 96 -3.108 7.888 9.990 1.00 15.54 C ATOM 1558 C GLY A 96 -1.724 7.319 10.221 1.00 60.12 C ATOM 1559 O GLY A 96 -0.889 7.363 9.318 1.00 74.44 O ATOM 0 H GLY A 96 -2.729 8.133 7.944 1.00 11.30 H new ATOM 0 HA2 GLY A 96 -3.141 8.926 10.321 1.00 15.54 H new ATOM 0 HA3 GLY A 96 -3.837 7.340 10.587 1.00 15.54 H new ATOM 1563 N SER A 97 -1.463 6.786 11.427 1.00 65.45 N ATOM 1564 CA SER A 97 -0.232 6.007 11.693 1.00 12.34 C ATOM 1565 C SER A 97 -0.331 4.647 10.966 1.00 33.43 C ATOM 1566 O SER A 97 -1.405 4.290 10.481 1.00 53.22 O ATOM 1567 CB SER A 97 -0.045 5.821 13.220 1.00 45.13 C ATOM 1568 OG SER A 97 1.138 5.094 13.523 1.00 54.42 O ATOM 0 H SER A 97 -2.082 6.877 12.232 1.00 65.45 H new ATOM 0 HA SER A 97 0.640 6.541 11.315 1.00 12.34 H new ATOM 0 HB2 SER A 97 -0.005 6.797 13.703 1.00 45.13 H new ATOM 0 HB3 SER A 97 -0.908 5.298 13.631 1.00 45.13 H new ATOM 0 HG SER A 97 0.948 4.437 14.225 1.00 54.42 H new ATOM 1574 N LEU A 98 0.783 3.898 10.889 1.00 22.22 N ATOM 1575 CA LEU A 98 0.798 2.553 10.271 1.00 21.14 C ATOM 1576 C LEU A 98 -0.183 1.607 11.009 1.00 2.24 C ATOM 1577 O LEU A 98 -0.903 0.822 10.380 1.00 23.54 O ATOM 1578 CB LEU A 98 2.242 1.977 10.279 1.00 21.14 C ATOM 1579 CG LEU A 98 2.440 0.564 9.639 1.00 73.11 C ATOM 1580 CD1 LEU A 98 2.065 0.550 8.139 1.00 75.51 C ATOM 1581 CD2 LEU A 98 3.878 0.057 9.864 1.00 42.41 C ATOM 0 H LEU A 98 1.689 4.199 11.247 1.00 22.22 H new ATOM 0 HA LEU A 98 0.469 2.636 9.235 1.00 21.14 H new ATOM 0 HB2 LEU A 98 2.891 2.680 9.758 1.00 21.14 H new ATOM 0 HB3 LEU A 98 2.585 1.933 11.313 1.00 21.14 H new ATOM 0 HG LEU A 98 1.757 -0.121 10.141 1.00 73.11 H new ATOM 0 HD11 LEU A 98 2.218 -0.451 7.735 1.00 75.51 H new ATOM 0 HD12 LEU A 98 1.019 0.832 8.023 1.00 75.51 H new ATOM 0 HD13 LEU A 98 2.694 1.259 7.600 1.00 75.51 H new ATOM 0 HD21 LEU A 98 3.992 -0.927 9.410 1.00 42.41 H new ATOM 0 HD22 LEU A 98 4.584 0.751 9.408 1.00 42.41 H new ATOM 0 HD23 LEU A 98 4.076 -0.011 10.934 1.00 42.41 H new ATOM 1593 N GLU A 99 -0.235 1.754 12.345 1.00 23.11 N ATOM 1594 CA GLU A 99 -1.116 0.952 13.214 1.00 21.54 C ATOM 1595 C GLU A 99 -2.576 1.444 13.108 1.00 3.41 C ATOM 1596 O GLU A 99 -3.490 0.641 12.953 1.00 63.32 O ATOM 1597 CB GLU A 99 -0.659 1.002 14.701 1.00 32.23 C ATOM 1598 CG GLU A 99 0.826 0.627 14.975 1.00 75.14 C ATOM 1599 CD GLU A 99 1.801 1.788 14.716 1.00 62.35 C ATOM 1600 OE1 GLU A 99 1.789 2.755 15.510 1.00 22.35 O ATOM 1601 OE2 GLU A 99 2.540 1.768 13.708 1.00 52.31 O ATOM 0 H GLU A 99 0.333 2.432 12.853 1.00 23.11 H new ATOM 0 HA GLU A 99 -1.053 -0.081 12.871 1.00 21.54 H new ATOM 0 HB2 GLU A 99 -0.834 2.009 15.080 1.00 32.23 H new ATOM 0 HB3 GLU A 99 -1.294 0.330 15.278 1.00 32.23 H new ATOM 0 HG2 GLU A 99 0.927 0.300 16.010 1.00 75.14 H new ATOM 0 HG3 GLU A 99 1.103 -0.219 14.346 1.00 75.14 H new ATOM 1608 N SER A 100 -2.762 2.783 13.175 1.00 64.23 N ATOM 1609 CA SER A 100 -4.095 3.434 13.125 1.00 33.51 C ATOM 1610 C SER A 100 -4.829 3.100 11.813 1.00 3.33 C ATOM 1611 O SER A 100 -6.005 2.688 11.813 1.00 23.32 O ATOM 1612 CB SER A 100 -3.926 4.970 13.252 1.00 24.02 C ATOM 1613 OG SER A 100 -3.196 5.310 14.415 1.00 10.10 O ATOM 0 H SER A 100 -1.991 3.445 13.265 1.00 64.23 H new ATOM 0 HA SER A 100 -4.693 3.056 13.955 1.00 33.51 H new ATOM 0 HB2 SER A 100 -3.413 5.356 12.371 1.00 24.02 H new ATOM 0 HB3 SER A 100 -4.907 5.445 13.283 1.00 24.02 H new ATOM 0 HG SER A 100 -3.103 6.284 14.470 1.00 10.10 H new ATOM 1619 N ALA A 101 -4.096 3.268 10.704 1.00 61.14 N ATOM 1620 CA ALA A 101 -4.596 3.028 9.345 1.00 34.31 C ATOM 1621 C ALA A 101 -4.901 1.540 9.115 1.00 24.14 C ATOM 1622 O ALA A 101 -5.771 1.199 8.312 1.00 25.12 O ATOM 1623 CB ALA A 101 -3.582 3.558 8.315 1.00 34.12 C ATOM 0 H ALA A 101 -3.125 3.579 10.727 1.00 61.14 H new ATOM 0 HA ALA A 101 -5.534 3.568 9.219 1.00 34.31 H new ATOM 0 HB1 ALA A 101 -3.958 3.377 7.308 1.00 34.12 H new ATOM 0 HB2 ALA A 101 -3.439 4.629 8.462 1.00 34.12 H new ATOM 0 HB3 ALA A 101 -2.630 3.044 8.444 1.00 34.12 H new ATOM 1629 N ALA A 102 -4.182 0.672 9.840 1.00 53.50 N ATOM 1630 CA ALA A 102 -4.397 -0.778 9.804 1.00 25.40 C ATOM 1631 C ALA A 102 -5.759 -1.146 10.412 1.00 23.23 C ATOM 1632 O ALA A 102 -6.528 -1.912 9.823 1.00 12.50 O ATOM 1633 CB ALA A 102 -3.277 -1.474 10.565 1.00 21.14 C ATOM 0 H ALA A 102 -3.433 0.959 10.470 1.00 53.50 H new ATOM 0 HA ALA A 102 -4.392 -1.108 8.765 1.00 25.40 H new ATOM 0 HB1 ALA A 102 -3.435 -2.552 10.539 1.00 21.14 H new ATOM 0 HB2 ALA A 102 -2.320 -1.236 10.101 1.00 21.14 H new ATOM 0 HB3 ALA A 102 -3.273 -1.132 11.600 1.00 21.14 H new ATOM 1639 N GLU A 103 -6.035 -0.557 11.591 1.00 51.01 N ATOM 1640 CA GLU A 103 -7.278 -0.796 12.359 1.00 5.22 C ATOM 1641 C GLU A 103 -8.519 -0.358 11.555 1.00 44.43 C ATOM 1642 O GLU A 103 -9.522 -1.082 11.490 1.00 24.41 O ATOM 1643 CB GLU A 103 -7.214 -0.043 13.718 1.00 63.54 C ATOM 1644 CG GLU A 103 -6.000 -0.426 14.581 1.00 25.44 C ATOM 1645 CD GLU A 103 -5.950 0.293 15.938 1.00 15.33 C ATOM 1646 OE1 GLU A 103 -6.767 -0.038 16.825 1.00 54.45 O ATOM 1647 OE2 GLU A 103 -5.095 1.190 16.125 1.00 21.30 O ATOM 0 H GLU A 103 -5.400 0.102 12.042 1.00 51.01 H new ATOM 0 HA GLU A 103 -7.365 -1.866 12.550 1.00 5.22 H new ATOM 0 HB2 GLU A 103 -7.189 1.030 13.528 1.00 63.54 H new ATOM 0 HB3 GLU A 103 -8.126 -0.246 14.279 1.00 63.54 H new ATOM 0 HG2 GLU A 103 -6.013 -1.503 14.751 1.00 25.44 H new ATOM 0 HG3 GLU A 103 -5.088 -0.202 14.028 1.00 25.44 H new ATOM 1654 N GLN A 104 -8.408 0.818 10.920 1.00 3.01 N ATOM 1655 CA GLN A 104 -9.486 1.395 10.090 1.00 24.33 C ATOM 1656 C GLN A 104 -9.710 0.581 8.798 1.00 75.22 C ATOM 1657 O GLN A 104 -10.843 0.440 8.354 1.00 21.02 O ATOM 1658 CB GLN A 104 -9.148 2.856 9.734 1.00 54.45 C ATOM 1659 CG GLN A 104 -9.016 3.799 10.934 1.00 30.22 C ATOM 1660 CD GLN A 104 -8.485 5.174 10.535 1.00 51.44 C ATOM 1661 OE1 GLN A 104 -9.245 6.074 10.183 1.00 2.22 O ATOM 1662 NE2 GLN A 104 -7.176 5.332 10.572 1.00 72.22 N ATOM 0 H GLN A 104 -7.571 1.399 10.965 1.00 3.01 H new ATOM 0 HA GLN A 104 -10.408 1.361 10.671 1.00 24.33 H new ATOM 0 HB2 GLN A 104 -8.213 2.871 9.174 1.00 54.45 H new ATOM 0 HB3 GLN A 104 -9.923 3.242 9.071 1.00 54.45 H new ATOM 0 HG2 GLN A 104 -9.989 3.913 11.413 1.00 30.22 H new ATOM 0 HG3 GLN A 104 -8.348 3.354 11.671 1.00 30.22 H new ATOM 0 HE21 GLN A 104 -6.578 4.562 10.870 1.00 72.22 H new ATOM 0 HE22 GLN A 104 -6.762 6.225 10.303 1.00 72.22 H new ATOM 1671 N ALA A 105 -8.616 0.060 8.208 1.00 42.14 N ATOM 1672 CA ALA A 105 -8.679 -0.770 6.981 1.00 12.32 C ATOM 1673 C ALA A 105 -9.061 -2.227 7.302 1.00 32.42 C ATOM 1674 O ALA A 105 -9.395 -2.995 6.392 1.00 55.14 O ATOM 1675 CB ALA A 105 -7.338 -0.716 6.234 1.00 34.30 C ATOM 0 H ALA A 105 -7.670 0.199 8.562 1.00 42.14 H new ATOM 0 HA ALA A 105 -9.459 -0.360 6.339 1.00 12.32 H new ATOM 0 HB1 ALA A 105 -7.397 -1.330 5.335 1.00 34.30 H new ATOM 0 HB2 ALA A 105 -7.118 0.315 5.956 1.00 34.30 H new ATOM 0 HB3 ALA A 105 -6.546 -1.095 6.880 1.00 34.30 H new ATOM 1681 N GLY A 106 -8.996 -2.596 8.599 1.00 32.40 N ATOM 1682 CA GLY A 106 -9.381 -3.930 9.058 1.00 70.03 C ATOM 1683 C GLY A 106 -8.356 -5.003 8.703 1.00 65.15 C ATOM 1684 O GLY A 106 -8.710 -6.143 8.368 1.00 75.30 O ATOM 0 H GLY A 106 -8.677 -1.977 9.345 1.00 32.40 H new ATOM 0 HA2 GLY A 106 -9.518 -3.910 10.139 1.00 70.03 H new ATOM 0 HA3 GLY A 106 -10.343 -4.195 8.619 1.00 70.03 H new ATOM 1688 N ILE A 107 -7.080 -4.617 8.754 1.00 63.01 N ATOM 1689 CA ILE A 107 -5.936 -5.512 8.504 1.00 42.12 C ATOM 1690 C ILE A 107 -5.287 -5.896 9.851 1.00 72.33 C ATOM 1691 O ILE A 107 -5.389 -5.129 10.824 1.00 63.25 O ATOM 1692 CB ILE A 107 -4.861 -4.804 7.602 1.00 73.14 C ATOM 1693 CG1 ILE A 107 -5.511 -4.056 6.401 1.00 42.01 C ATOM 1694 CG2 ILE A 107 -3.810 -5.817 7.087 1.00 30.13 C ATOM 1695 CD1 ILE A 107 -4.535 -3.199 5.614 1.00 11.22 C ATOM 0 H ILE A 107 -6.802 -3.660 8.973 1.00 63.01 H new ATOM 0 HA ILE A 107 -6.297 -6.402 7.989 1.00 42.12 H new ATOM 0 HB ILE A 107 -4.361 -4.065 8.229 1.00 73.14 H new ATOM 0 HG12 ILE A 107 -5.961 -4.787 5.730 1.00 42.01 H new ATOM 0 HG13 ILE A 107 -6.318 -3.424 6.772 1.00 42.01 H new ATOM 0 HG21 ILE A 107 -3.079 -5.299 6.466 1.00 30.13 H new ATOM 0 HG22 ILE A 107 -3.304 -6.279 7.935 1.00 30.13 H new ATOM 0 HG23 ILE A 107 -4.306 -6.588 6.497 1.00 30.13 H new ATOM 0 HD11 ILE A 107 -5.060 -2.709 4.794 1.00 11.22 H new ATOM 0 HD12 ILE A 107 -4.103 -2.444 6.270 1.00 11.22 H new ATOM 0 HD13 ILE A 107 -3.741 -3.828 5.212 1.00 11.22 H new ATOM 1707 N VAL A 108 -4.608 -7.064 9.905 1.00 73.00 N ATOM 1708 CA VAL A 108 -3.832 -7.462 11.085 1.00 30.11 C ATOM 1709 C VAL A 108 -2.615 -6.521 11.228 1.00 62.30 C ATOM 1710 O VAL A 108 -1.639 -6.604 10.449 1.00 53.32 O ATOM 1711 CB VAL A 108 -3.368 -8.961 11.024 1.00 11.54 C ATOM 1712 CG1 VAL A 108 -2.651 -9.391 12.326 1.00 30.40 C ATOM 1713 CG2 VAL A 108 -4.557 -9.896 10.698 1.00 64.52 C ATOM 0 H VAL A 108 -4.586 -7.742 9.143 1.00 73.00 H new ATOM 0 HA VAL A 108 -4.478 -7.376 11.959 1.00 30.11 H new ATOM 0 HB VAL A 108 -2.643 -9.048 10.215 1.00 11.54 H new ATOM 0 HG11 VAL A 108 -2.345 -10.434 12.245 1.00 30.40 H new ATOM 0 HG12 VAL A 108 -1.772 -8.766 12.481 1.00 30.40 H new ATOM 0 HG13 VAL A 108 -3.331 -9.276 13.170 1.00 30.40 H new ATOM 0 HG21 VAL A 108 -4.209 -10.928 10.662 1.00 64.52 H new ATOM 0 HG22 VAL A 108 -5.320 -9.797 11.470 1.00 64.52 H new ATOM 0 HG23 VAL A 108 -4.981 -9.622 9.732 1.00 64.52 H new ATOM 1723 N VAL A 109 -2.729 -5.613 12.213 1.00 4.43 N ATOM 1724 CA VAL A 109 -1.724 -4.588 12.537 1.00 10.34 C ATOM 1725 C VAL A 109 -0.337 -5.225 12.743 1.00 72.32 C ATOM 1726 O VAL A 109 0.658 -4.759 12.190 1.00 64.33 O ATOM 1727 CB VAL A 109 -2.137 -3.788 13.832 1.00 34.15 C ATOM 1728 CG1 VAL A 109 -1.120 -2.676 14.166 1.00 4.34 C ATOM 1729 CG2 VAL A 109 -3.574 -3.217 13.720 1.00 35.14 C ATOM 0 H VAL A 109 -3.546 -5.572 12.822 1.00 4.43 H new ATOM 0 HA VAL A 109 -1.673 -3.897 11.695 1.00 10.34 H new ATOM 0 HB VAL A 109 -2.129 -4.498 14.659 1.00 34.15 H new ATOM 0 HG11 VAL A 109 -1.440 -2.148 15.064 1.00 4.34 H new ATOM 0 HG12 VAL A 109 -0.139 -3.119 14.336 1.00 4.34 H new ATOM 0 HG13 VAL A 109 -1.062 -1.974 13.334 1.00 4.34 H new ATOM 0 HG21 VAL A 109 -3.821 -2.673 14.631 1.00 35.14 H new ATOM 0 HG22 VAL A 109 -3.631 -2.541 12.867 1.00 35.14 H new ATOM 0 HG23 VAL A 109 -4.281 -4.035 13.583 1.00 35.14 H new ATOM 1739 N ASP A 110 -0.334 -6.327 13.509 1.00 4.41 N ATOM 1740 CA ASP A 110 0.870 -7.106 13.863 1.00 1.13 C ATOM 1741 C ASP A 110 1.694 -7.472 12.611 1.00 54.53 C ATOM 1742 O ASP A 110 2.901 -7.210 12.550 1.00 55.20 O ATOM 1743 CB ASP A 110 0.439 -8.392 14.629 1.00 23.34 C ATOM 1744 CG ASP A 110 1.622 -9.185 15.227 1.00 73.14 C ATOM 1745 OD1 ASP A 110 2.302 -9.928 14.486 1.00 4.53 O ATOM 1746 OD2 ASP A 110 1.872 -9.078 16.453 1.00 73.52 O ATOM 0 H ASP A 110 -1.188 -6.713 13.911 1.00 4.41 H new ATOM 0 HA ASP A 110 1.507 -6.494 14.502 1.00 1.13 H new ATOM 0 HB2 ASP A 110 -0.243 -8.114 15.432 1.00 23.34 H new ATOM 0 HB3 ASP A 110 -0.115 -9.040 13.950 1.00 23.34 H new ATOM 1751 N GLU A 111 1.000 -8.041 11.606 1.00 44.43 N ATOM 1752 CA GLU A 111 1.635 -8.542 10.377 1.00 4.01 C ATOM 1753 C GLU A 111 2.205 -7.405 9.514 1.00 0.33 C ATOM 1754 O GLU A 111 3.355 -7.507 9.046 1.00 73.04 O ATOM 1755 CB GLU A 111 0.639 -9.388 9.548 1.00 43.24 C ATOM 1756 CG GLU A 111 0.208 -10.714 10.209 1.00 35.04 C ATOM 1757 CD GLU A 111 1.374 -11.689 10.442 1.00 72.24 C ATOM 1758 OE1 GLU A 111 2.070 -12.040 9.466 1.00 33.13 O ATOM 1759 OE2 GLU A 111 1.613 -12.102 11.596 1.00 52.24 O ATOM 0 H GLU A 111 -0.012 -8.165 11.625 1.00 44.43 H new ATOM 0 HA GLU A 111 2.468 -9.173 10.687 1.00 4.01 H new ATOM 0 HB2 GLU A 111 -0.251 -8.789 9.354 1.00 43.24 H new ATOM 0 HB3 GLU A 111 1.090 -9.610 8.581 1.00 43.24 H new ATOM 0 HG2 GLU A 111 -0.270 -10.496 11.164 1.00 35.04 H new ATOM 0 HG3 GLU A 111 -0.540 -11.198 9.581 1.00 35.04 H new ATOM 1766 N LEU A 112 1.412 -6.329 9.284 1.00 35.42 N ATOM 1767 CA LEU A 112 1.860 -5.232 8.395 1.00 55.53 C ATOM 1768 C LEU A 112 2.976 -4.382 9.022 1.00 73.13 C ATOM 1769 O LEU A 112 3.855 -3.903 8.302 1.00 65.01 O ATOM 1770 CB LEU A 112 0.685 -4.365 7.855 1.00 32.51 C ATOM 1771 CG LEU A 112 -0.316 -3.731 8.883 1.00 70.21 C ATOM 1772 CD1 LEU A 112 0.273 -2.538 9.672 1.00 22.05 C ATOM 1773 CD2 LEU A 112 -1.604 -3.301 8.171 1.00 44.53 C ATOM 0 H LEU A 112 0.485 -6.200 9.690 1.00 35.42 H new ATOM 0 HA LEU A 112 2.296 -5.719 7.523 1.00 55.53 H new ATOM 0 HB2 LEU A 112 1.115 -3.553 7.269 1.00 32.51 H new ATOM 0 HB3 LEU A 112 0.107 -4.983 7.168 1.00 32.51 H new ATOM 0 HG LEU A 112 -0.531 -4.509 9.616 1.00 70.21 H new ATOM 0 HD11 LEU A 112 -0.477 -2.153 10.363 1.00 22.05 H new ATOM 0 HD12 LEU A 112 1.147 -2.869 10.233 1.00 22.05 H new ATOM 0 HD13 LEU A 112 0.565 -1.751 8.977 1.00 22.05 H new ATOM 0 HD21 LEU A 112 -2.291 -2.862 8.895 1.00 44.53 H new ATOM 0 HD22 LEU A 112 -1.367 -2.564 7.403 1.00 44.53 H new ATOM 0 HD23 LEU A 112 -2.071 -4.170 7.708 1.00 44.53 H new ATOM 1785 N VAL A 113 2.946 -4.210 10.363 1.00 53.24 N ATOM 1786 CA VAL A 113 4.019 -3.504 11.090 1.00 21.33 C ATOM 1787 C VAL A 113 5.338 -4.267 10.903 1.00 44.14 C ATOM 1788 O VAL A 113 6.375 -3.653 10.658 1.00 71.54 O ATOM 1789 CB VAL A 113 3.688 -3.286 12.624 1.00 2.24 C ATOM 1790 CG1 VAL A 113 4.905 -2.734 13.410 1.00 13.40 C ATOM 1791 CG2 VAL A 113 2.478 -2.331 12.796 1.00 32.31 C ATOM 0 H VAL A 113 2.192 -4.550 10.960 1.00 53.24 H new ATOM 0 HA VAL A 113 4.111 -2.503 10.667 1.00 21.33 H new ATOM 0 HB VAL A 113 3.437 -4.264 13.035 1.00 2.24 H new ATOM 0 HG11 VAL A 113 4.632 -2.600 14.457 1.00 13.40 H new ATOM 0 HG12 VAL A 113 5.734 -3.438 13.338 1.00 13.40 H new ATOM 0 HG13 VAL A 113 5.206 -1.775 12.988 1.00 13.40 H new ATOM 0 HG21 VAL A 113 2.269 -2.196 13.857 1.00 32.31 H new ATOM 0 HG22 VAL A 113 2.710 -1.366 12.346 1.00 32.31 H new ATOM 0 HG23 VAL A 113 1.604 -2.759 12.306 1.00 32.31 H new ATOM 1801 N GLN A 114 5.256 -5.614 10.942 1.00 22.11 N ATOM 1802 CA GLN A 114 6.421 -6.487 10.705 1.00 23.45 C ATOM 1803 C GLN A 114 6.975 -6.316 9.279 1.00 30.51 C ATOM 1804 O GLN A 114 8.156 -6.025 9.115 1.00 20.23 O ATOM 1805 CB GLN A 114 6.075 -7.975 10.968 1.00 52.31 C ATOM 1806 CG GLN A 114 5.892 -8.349 12.448 1.00 63.21 C ATOM 1807 CD GLN A 114 7.162 -8.155 13.276 1.00 64.15 C ATOM 1808 OE1 GLN A 114 7.296 -7.000 13.915 1.00 1.23 O flip ATOM 1809 NE2 GLN A 114 8.004 -9.051 13.358 1.00 43.44 N flip ATOM 0 H GLN A 114 4.392 -6.120 11.136 1.00 22.11 H new ATOM 0 HA GLN A 114 7.194 -6.183 11.411 1.00 23.45 H new ATOM 0 HB2 GLN A 114 5.158 -8.219 10.431 1.00 52.31 H new ATOM 0 HB3 GLN A 114 6.866 -8.596 10.547 1.00 52.31 H new ATOM 0 HG2 GLN A 114 5.092 -7.743 12.873 1.00 63.21 H new ATOM 0 HG3 GLN A 114 5.575 -9.390 12.517 1.00 63.21 H new ATOM 0 HE21 GLN A 114 7.868 -9.926 12.853 1.00 43.44 H new ATOM 0 HE22 GLN A 114 8.837 -8.917 13.931 1.00 43.44 H new ATOM 1818 N THR A 115 6.114 -6.461 8.249 1.00 32.04 N ATOM 1819 CA THR A 115 6.577 -6.462 6.845 1.00 53.11 C ATOM 1820 C THR A 115 7.093 -5.073 6.401 1.00 15.13 C ATOM 1821 O THR A 115 7.929 -5.002 5.507 1.00 72.42 O ATOM 1822 CB THR A 115 5.487 -7.002 5.842 1.00 10.14 C ATOM 1823 OG1 THR A 115 6.064 -7.196 4.531 1.00 33.04 O ATOM 1824 CG2 THR A 115 4.278 -6.067 5.717 1.00 0.01 C ATOM 0 H THR A 115 5.107 -6.578 8.361 1.00 32.04 H new ATOM 0 HA THR A 115 7.416 -7.157 6.812 1.00 53.11 H new ATOM 0 HB THR A 115 5.137 -7.950 6.250 1.00 10.14 H new ATOM 0 HG1 THR A 115 5.378 -7.533 3.918 1.00 33.04 H new ATOM 0 HG21 THR A 115 3.562 -6.491 5.013 1.00 0.01 H new ATOM 0 HG22 THR A 115 3.805 -5.952 6.692 1.00 0.01 H new ATOM 0 HG23 THR A 115 4.607 -5.092 5.357 1.00 0.01 H new ATOM 1832 N VAL A 116 6.599 -3.983 7.030 1.00 74.34 N ATOM 1833 CA VAL A 116 7.025 -2.596 6.715 1.00 12.20 C ATOM 1834 C VAL A 116 8.319 -2.210 7.482 1.00 20.13 C ATOM 1835 O VAL A 116 9.180 -1.509 6.930 1.00 51.31 O ATOM 1836 CB VAL A 116 5.862 -1.557 6.994 1.00 74.12 C ATOM 1837 CG1 VAL A 116 6.325 -0.086 6.847 1.00 42.12 C ATOM 1838 CG2 VAL A 116 4.643 -1.833 6.073 1.00 21.44 C ATOM 0 H VAL A 116 5.897 -4.037 7.768 1.00 74.34 H new ATOM 0 HA VAL A 116 7.252 -2.560 5.649 1.00 12.20 H new ATOM 0 HB VAL A 116 5.564 -1.696 8.033 1.00 74.12 H new ATOM 0 HG11 VAL A 116 5.487 0.581 7.050 1.00 42.12 H new ATOM 0 HG12 VAL A 116 7.128 0.115 7.556 1.00 42.12 H new ATOM 0 HG13 VAL A 116 6.686 0.082 5.832 1.00 42.12 H new ATOM 0 HG21 VAL A 116 3.857 -1.107 6.282 1.00 21.44 H new ATOM 0 HG22 VAL A 116 4.948 -1.747 5.030 1.00 21.44 H new ATOM 0 HG23 VAL A 116 4.267 -2.839 6.259 1.00 21.44 H new ATOM 1848 N LYS A 117 8.469 -2.671 8.743 1.00 44.24 N ATOM 1849 CA LYS A 117 9.674 -2.354 9.558 1.00 41.32 C ATOM 1850 C LYS A 117 10.877 -3.195 9.085 1.00 42.20 C ATOM 1851 O LYS A 117 12.018 -2.708 9.052 1.00 10.55 O ATOM 1852 CB LYS A 117 9.427 -2.562 11.085 1.00 62.52 C ATOM 1853 CG LYS A 117 9.330 -4.039 11.554 1.00 1.24 C ATOM 1854 CD LYS A 117 8.999 -4.196 13.059 1.00 10.23 C ATOM 1855 CE LYS A 117 10.076 -3.603 13.985 1.00 20.55 C ATOM 1856 NZ LYS A 117 9.706 -3.728 15.427 1.00 41.44 N ATOM 0 H LYS A 117 7.783 -3.257 9.219 1.00 44.24 H new ATOM 0 HA LYS A 117 9.896 -1.297 9.411 1.00 41.32 H new ATOM 0 HB2 LYS A 117 10.234 -2.077 11.635 1.00 62.52 H new ATOM 0 HB3 LYS A 117 8.504 -2.051 11.358 1.00 62.52 H new ATOM 0 HG2 LYS A 117 8.564 -4.547 10.968 1.00 1.24 H new ATOM 0 HG3 LYS A 117 10.275 -4.540 11.345 1.00 1.24 H new ATOM 0 HD2 LYS A 117 8.045 -3.712 13.266 1.00 10.23 H new ATOM 0 HD3 LYS A 117 8.876 -5.254 13.288 1.00 10.23 H new ATOM 0 HE2 LYS A 117 11.025 -4.110 13.809 1.00 20.55 H new ATOM 0 HE3 LYS A 117 10.226 -2.552 13.739 1.00 20.55 H new ATOM 0 HZ1 LYS A 117 10.458 -3.316 16.015 1.00 41.44 H new ATOM 0 HZ2 LYS A 117 8.814 -3.222 15.602 1.00 41.44 H new ATOM 0 HZ3 LYS A 117 9.588 -4.732 15.669 1.00 41.44 H new ATOM 1870 N ASN A 118 10.602 -4.465 8.714 1.00 32.21 N ATOM 1871 CA ASN A 118 11.610 -5.369 8.137 1.00 30.22 C ATOM 1872 C ASN A 118 11.991 -4.866 6.746 1.00 13.21 C ATOM 1873 O ASN A 118 13.166 -4.907 6.390 1.00 2.31 O ATOM 1874 CB ASN A 118 11.112 -6.845 8.077 1.00 74.44 C ATOM 1875 CG ASN A 118 10.898 -7.468 9.467 1.00 13.11 C ATOM 1876 OD1 ASN A 118 11.584 -7.129 10.435 1.00 14.22 O ATOM 1877 ND2 ASN A 118 9.937 -8.380 9.578 1.00 44.23 N ATOM 0 H ASN A 118 9.678 -4.887 8.807 1.00 32.21 H new ATOM 0 HA ASN A 118 12.487 -5.365 8.784 1.00 30.22 H new ATOM 0 HB2 ASN A 118 10.176 -6.884 7.520 1.00 74.44 H new ATOM 0 HB3 ASN A 118 11.836 -7.444 7.525 1.00 74.44 H new ATOM 0 HD21 ASN A 118 9.752 -8.818 10.480 1.00 44.23 H new ATOM 0 HD22 ASN A 118 9.385 -8.641 8.761 1.00 44.23 H new ATOM 1884 N TYR A 119 10.977 -4.356 5.997 1.00 21.32 N ATOM 1885 CA TYR A 119 11.178 -3.685 4.694 1.00 54.42 C ATOM 1886 C TYR A 119 12.247 -2.606 4.826 1.00 53.41 C ATOM 1887 O TYR A 119 13.322 -2.733 4.251 1.00 62.02 O ATOM 1888 CB TYR A 119 9.847 -3.089 4.161 1.00 52.43 C ATOM 1889 CG TYR A 119 9.913 -2.358 2.809 1.00 34.42 C ATOM 1890 CD1 TYR A 119 10.436 -2.977 1.669 1.00 51.32 C ATOM 1891 CD2 TYR A 119 9.411 -1.063 2.671 1.00 1.15 C ATOM 1892 CE1 TYR A 119 10.459 -2.326 0.450 1.00 12.51 C ATOM 1893 CE2 TYR A 119 9.439 -0.409 1.456 1.00 4.03 C ATOM 1894 CZ TYR A 119 9.961 -1.043 0.348 1.00 23.42 C ATOM 1895 OH TYR A 119 9.963 -0.399 -0.879 1.00 13.15 O ATOM 0 H TYR A 119 9.999 -4.401 6.284 1.00 21.32 H new ATOM 0 HA TYR A 119 11.517 -4.426 3.970 1.00 54.42 H new ATOM 0 HB2 TYR A 119 9.121 -3.898 4.076 1.00 52.43 H new ATOM 0 HB3 TYR A 119 9.463 -2.393 4.906 1.00 52.43 H new ATOM 0 HD1 TYR A 119 10.828 -3.980 1.742 1.00 51.32 H new ATOM 0 HD2 TYR A 119 8.992 -0.563 3.532 1.00 1.15 H new ATOM 0 HE1 TYR A 119 10.866 -2.820 -0.420 1.00 12.51 H new ATOM 0 HE2 TYR A 119 9.053 0.596 1.373 1.00 4.03 H new ATOM 0 HH TYR A 119 10.138 0.556 -0.747 1.00 13.15 H new ATOM 1905 N GLN A 120 11.981 -1.617 5.696 1.00 3.30 N ATOM 1906 CA GLN A 120 12.898 -0.493 5.937 1.00 23.15 C ATOM 1907 C GLN A 120 14.238 -0.954 6.567 1.00 63.24 C ATOM 1908 O GLN A 120 15.250 -0.261 6.439 1.00 60.52 O ATOM 1909 CB GLN A 120 12.198 0.593 6.796 1.00 12.22 C ATOM 1910 CG GLN A 120 11.047 1.310 6.046 1.00 45.11 C ATOM 1911 CD GLN A 120 10.558 2.607 6.702 1.00 13.12 C ATOM 1912 OE1 GLN A 120 11.268 3.238 7.484 1.00 1.21 O ATOM 1913 NE2 GLN A 120 9.410 3.087 6.265 1.00 15.31 N ATOM 0 H GLN A 120 11.126 -1.575 6.250 1.00 3.30 H new ATOM 0 HA GLN A 120 13.153 -0.055 4.972 1.00 23.15 H new ATOM 0 HB2 GLN A 120 11.803 0.133 7.702 1.00 12.22 H new ATOM 0 HB3 GLN A 120 12.936 1.332 7.109 1.00 12.22 H new ATOM 0 HG2 GLN A 120 11.378 1.535 5.032 1.00 45.11 H new ATOM 0 HG3 GLN A 120 10.205 0.623 5.961 1.00 45.11 H new ATOM 0 HE21 GLN A 120 8.842 2.541 5.617 1.00 15.31 H new ATOM 0 HE22 GLN A 120 9.090 4.004 6.575 1.00 15.31 H new ATOM 1922 N GLY A 121 14.227 -2.149 7.191 1.00 54.03 N ATOM 1923 CA GLY A 121 15.440 -2.760 7.736 1.00 73.00 C ATOM 1924 C GLY A 121 16.381 -3.274 6.650 1.00 2.02 C ATOM 1925 O GLY A 121 17.593 -3.027 6.696 1.00 65.21 O ATOM 0 H GLY A 121 13.384 -2.706 7.327 1.00 54.03 H new ATOM 0 HA2 GLY A 121 15.966 -2.029 8.350 1.00 73.00 H new ATOM 0 HA3 GLY A 121 15.163 -3.586 8.391 1.00 73.00 H new ATOM 1929 N TYR A 122 15.823 -3.990 5.649 1.00 63.11 N ATOM 1930 CA TYR A 122 16.624 -4.565 4.551 1.00 2.02 C ATOM 1931 C TYR A 122 16.856 -3.575 3.386 1.00 13.41 C ATOM 1932 O TYR A 122 17.747 -3.813 2.549 1.00 21.25 O ATOM 1933 CB TYR A 122 16.108 -5.955 4.083 1.00 32.41 C ATOM 1934 CG TYR A 122 14.645 -6.106 3.625 1.00 0.32 C ATOM 1935 CD1 TYR A 122 14.150 -5.456 2.494 1.00 11.13 C ATOM 1936 CD2 TYR A 122 13.767 -6.957 4.309 1.00 3.10 C ATOM 1937 CE1 TYR A 122 12.845 -5.642 2.076 1.00 5.24 C ATOM 1938 CE2 TYR A 122 12.465 -7.146 3.885 1.00 20.25 C ATOM 1939 CZ TYR A 122 12.009 -6.491 2.773 1.00 74.23 C ATOM 1940 OH TYR A 122 10.706 -6.674 2.371 1.00 11.20 O ATOM 0 H TYR A 122 14.824 -4.182 5.581 1.00 63.11 H new ATOM 0 HA TYR A 122 17.611 -4.750 4.974 1.00 2.02 H new ATOM 0 HB2 TYR A 122 16.743 -6.279 3.259 1.00 32.41 H new ATOM 0 HB3 TYR A 122 16.268 -6.656 4.903 1.00 32.41 H new ATOM 0 HD1 TYR A 122 14.797 -4.796 1.935 1.00 11.13 H new ATOM 0 HD2 TYR A 122 14.116 -7.478 5.189 1.00 3.10 H new ATOM 0 HE1 TYR A 122 12.479 -5.122 1.203 1.00 5.24 H new ATOM 0 HE2 TYR A 122 11.809 -7.809 4.430 1.00 20.25 H new ATOM 0 HH TYR A 122 10.263 -7.305 2.975 1.00 11.20 H new ATOM 1950 N VAL A 123 16.050 -2.484 3.332 1.00 74.31 N ATOM 1951 CA VAL A 123 16.282 -1.356 2.397 1.00 11.34 C ATOM 1952 C VAL A 123 17.689 -0.770 2.624 1.00 51.35 C ATOM 1953 O VAL A 123 18.521 -0.734 1.705 1.00 64.53 O ATOM 1954 CB VAL A 123 15.204 -0.192 2.534 1.00 32.21 C ATOM 1955 CG1 VAL A 123 15.639 1.084 1.759 1.00 13.21 C ATOM 1956 CG2 VAL A 123 13.805 -0.642 2.048 1.00 32.44 C ATOM 0 H VAL A 123 15.231 -2.363 3.928 1.00 74.31 H new ATOM 0 HA VAL A 123 16.189 -1.765 1.391 1.00 11.34 H new ATOM 0 HB VAL A 123 15.141 0.046 3.596 1.00 32.21 H new ATOM 0 HG11 VAL A 123 14.879 1.857 1.875 1.00 13.21 H new ATOM 0 HG12 VAL A 123 16.588 1.445 2.156 1.00 13.21 H new ATOM 0 HG13 VAL A 123 15.755 0.846 0.702 1.00 13.21 H new ATOM 0 HG21 VAL A 123 13.099 0.181 2.158 1.00 32.44 H new ATOM 0 HG22 VAL A 123 13.861 -0.934 0.999 1.00 32.44 H new ATOM 0 HG23 VAL A 123 13.469 -1.491 2.644 1.00 32.44 H new ATOM 1966 N GLN A 124 17.941 -0.356 3.875 1.00 71.52 N ATOM 1967 CA GLN A 124 19.214 0.270 4.280 1.00 70.31 C ATOM 1968 C GLN A 124 20.371 -0.756 4.303 1.00 1.21 C ATOM 1969 O GLN A 124 21.542 -0.366 4.248 1.00 2.13 O ATOM 1970 CB GLN A 124 19.053 0.959 5.659 1.00 34.11 C ATOM 1971 CG GLN A 124 18.559 0.025 6.771 1.00 72.01 C ATOM 1972 CD GLN A 124 18.302 0.717 8.111 1.00 42.13 C ATOM 1973 OE1 GLN A 124 17.347 0.203 8.871 1.00 45.40 O flip ATOM 1974 NE2 GLN A 124 18.957 1.700 8.461 1.00 52.22 N flip ATOM 0 H GLN A 124 17.269 -0.445 4.637 1.00 71.52 H new ATOM 0 HA GLN A 124 19.471 1.027 3.539 1.00 70.31 H new ATOM 0 HB2 GLN A 124 20.012 1.384 5.955 1.00 34.11 H new ATOM 0 HB3 GLN A 124 18.354 1.789 5.559 1.00 34.11 H new ATOM 0 HG2 GLN A 124 17.638 -0.456 6.442 1.00 72.01 H new ATOM 0 HG3 GLN A 124 19.296 -0.765 6.919 1.00 72.01 H new ATOM 0 HE21 GLN A 124 19.686 2.071 7.851 1.00 52.22 H new ATOM 0 HE22 GLN A 124 18.771 2.143 9.361 1.00 52.22 H new ATOM 1983 N ASP A 125 20.026 -2.056 4.379 1.00 65.10 N ATOM 1984 CA ASP A 125 21.014 -3.157 4.298 1.00 71.23 C ATOM 1985 C ASP A 125 21.513 -3.333 2.846 1.00 41.11 C ATOM 1986 O ASP A 125 22.646 -3.769 2.619 1.00 73.22 O ATOM 1987 CB ASP A 125 20.375 -4.474 4.812 1.00 63.33 C ATOM 1988 CG ASP A 125 21.358 -5.662 4.852 1.00 11.54 C ATOM 1989 OD1 ASP A 125 22.076 -5.829 5.869 1.00 4.25 O ATOM 1990 OD2 ASP A 125 21.416 -6.437 3.874 1.00 4.42 O ATOM 0 H ASP A 125 19.064 -2.374 4.497 1.00 65.10 H new ATOM 0 HA ASP A 125 21.870 -2.908 4.925 1.00 71.23 H new ATOM 0 HB2 ASP A 125 19.977 -4.309 5.813 1.00 63.33 H new ATOM 0 HB3 ASP A 125 19.531 -4.733 4.172 1.00 63.33 H new ATOM 1995 N GLY A 126 20.670 -2.931 1.870 1.00 74.31 N ATOM 1996 CA GLY A 126 21.007 -3.032 0.445 1.00 31.03 C ATOM 1997 C GLY A 126 20.772 -4.424 -0.141 1.00 4.23 C ATOM 1998 O GLY A 126 21.246 -4.726 -1.244 1.00 62.45 O ATOM 0 H GLY A 126 19.749 -2.533 2.051 1.00 74.31 H new ATOM 0 HA2 GLY A 126 20.414 -2.307 -0.113 1.00 31.03 H new ATOM 0 HA3 GLY A 126 22.054 -2.761 0.307 1.00 31.03 H new ATOM 2002 N HIS A 127 20.034 -5.270 0.593 1.00 14.52 N ATOM 2003 CA HIS A 127 19.679 -6.631 0.155 1.00 1.34 C ATOM 2004 C HIS A 127 18.229 -6.889 0.533 1.00 13.34 C ATOM 2005 O HIS A 127 17.911 -6.982 1.717 1.00 62.00 O ATOM 2006 CB HIS A 127 20.614 -7.691 0.806 1.00 2.31 C ATOM 2007 CG HIS A 127 20.344 -9.123 0.393 1.00 10.20 C ATOM 2008 ND1 HIS A 127 21.090 -9.781 -0.563 1.00 33.32 N ATOM 2009 CD2 HIS A 127 19.437 -10.037 0.840 1.00 54.45 C ATOM 2010 CE1 HIS A 127 20.665 -11.020 -0.684 1.00 14.12 C ATOM 2011 NE2 HIS A 127 19.663 -11.198 0.153 1.00 72.23 N ATOM 0 H HIS A 127 19.664 -5.029 1.512 1.00 14.52 H new ATOM 0 HA HIS A 127 19.804 -6.713 -0.925 1.00 1.34 H new ATOM 0 HB2 HIS A 127 21.646 -7.445 0.556 1.00 2.31 H new ATOM 0 HB3 HIS A 127 20.522 -7.618 1.890 1.00 2.31 H new ATOM 0 HD2 HIS A 127 18.682 -9.875 1.595 1.00 54.45 H new ATOM 0 HE1 HIS A 127 21.068 -11.764 -1.355 1.00 14.12 H new ATOM 0 HE2 HIS A 127 19.139 -12.065 0.270 1.00 72.23 H new ATOM 2020 N ASP A 128 17.366 -7.041 -0.479 1.00 10.14 N ATOM 2021 CA ASP A 128 15.922 -7.198 -0.271 1.00 14.14 C ATOM 2022 C ASP A 128 15.581 -8.604 0.233 1.00 55.15 C ATOM 2023 O ASP A 128 16.399 -9.528 0.162 1.00 2.34 O ATOM 2024 CB ASP A 128 15.125 -6.870 -1.570 1.00 2.35 C ATOM 2025 CG ASP A 128 14.849 -8.089 -2.464 1.00 3.52 C ATOM 2026 OD1 ASP A 128 15.777 -8.545 -3.159 1.00 53.23 O ATOM 2027 OD2 ASP A 128 13.707 -8.613 -2.442 1.00 62.24 O ATOM 0 H ASP A 128 17.647 -7.059 -1.459 1.00 10.14 H new ATOM 0 HA ASP A 128 15.624 -6.484 0.497 1.00 14.14 H new ATOM 0 HB2 ASP A 128 14.175 -6.413 -1.294 1.00 2.35 H new ATOM 0 HB3 ASP A 128 15.680 -6.129 -2.146 1.00 2.35 H new ATOM 2032 N HIS A 129 14.347 -8.744 0.706 1.00 64.13 N ATOM 2033 CA HIS A 129 13.768 -10.015 1.154 1.00 43.42 C ATOM 2034 C HIS A 129 12.274 -10.025 0.765 1.00 50.10 C ATOM 2035 O HIS A 129 11.505 -10.850 1.266 1.00 52.44 O ATOM 2036 CB HIS A 129 13.941 -10.225 2.693 1.00 71.12 C ATOM 2037 CG HIS A 129 15.359 -10.441 3.181 1.00 42.41 C ATOM 2038 ND1 HIS A 129 15.863 -11.682 3.524 1.00 20.02 N ATOM 2039 CD2 HIS A 129 16.369 -9.567 3.413 1.00 14.01 C ATOM 2040 CE1 HIS A 129 17.108 -11.554 3.933 1.00 0.44 C ATOM 2041 NE2 HIS A 129 17.436 -10.284 3.876 1.00 22.33 N ATOM 0 H HIS A 129 13.702 -7.959 0.792 1.00 64.13 H new ATOM 0 HA HIS A 129 14.292 -10.838 0.669 1.00 43.42 H new ATOM 0 HB2 HIS A 129 13.530 -9.356 3.206 1.00 71.12 H new ATOM 0 HB3 HIS A 129 13.341 -11.084 2.992 1.00 71.12 H new ATOM 0 HD2 HIS A 129 16.336 -8.498 3.260 1.00 14.01 H new ATOM 0 HE1 HIS A 129 17.751 -12.358 4.260 1.00 0.44 H new ATOM 0 HE2 HIS A 129 18.342 -9.895 4.136 1.00 22.33 H new ATOM 2113 N ASP A 134 15.456 -5.569 -7.059 1.00 62.20 N ATOM 2114 CA ASP A 134 16.780 -4.903 -7.110 1.00 43.30 C ATOM 2115 C ASP A 134 16.893 -3.909 -5.924 1.00 45.22 C ATOM 2116 O ASP A 134 15.880 -3.293 -5.562 1.00 14.31 O ATOM 2117 CB ASP A 134 16.949 -4.173 -8.472 1.00 42.34 C ATOM 2118 CG ASP A 134 18.400 -3.741 -8.764 1.00 61.35 C ATOM 2119 OD1 ASP A 134 18.801 -2.628 -8.363 1.00 24.31 O ATOM 2120 OD2 ASP A 134 19.158 -4.528 -9.368 1.00 70.24 O ATOM 0 HA ASP A 134 17.576 -5.643 -7.023 1.00 43.30 H new ATOM 0 HB2 ASP A 134 16.606 -4.829 -9.272 1.00 42.34 H new ATOM 0 HB3 ASP A 134 16.307 -3.292 -8.485 1.00 42.34 H new ATOM 2125 N PRO A 135 18.106 -3.737 -5.283 1.00 73.45 N ATOM 2126 CA PRO A 135 18.297 -2.795 -4.142 1.00 55.54 C ATOM 2127 C PRO A 135 17.922 -1.322 -4.438 1.00 11.23 C ATOM 2128 O PRO A 135 17.719 -0.554 -3.496 1.00 71.13 O ATOM 2129 CB PRO A 135 19.808 -2.932 -3.786 1.00 53.52 C ATOM 2130 CG PRO A 135 20.435 -3.598 -4.974 1.00 43.40 C ATOM 2131 CD PRO A 135 19.364 -4.491 -5.555 1.00 53.30 C ATOM 0 HA PRO A 135 17.624 -3.055 -3.325 1.00 55.54 H new ATOM 0 HB2 PRO A 135 20.258 -1.957 -3.599 1.00 53.52 H new ATOM 0 HB3 PRO A 135 19.947 -3.526 -2.883 1.00 53.52 H new ATOM 0 HG2 PRO A 135 20.769 -2.861 -5.705 1.00 43.40 H new ATOM 0 HG3 PRO A 135 21.311 -4.177 -4.681 1.00 43.40 H new ATOM 0 HD2 PRO A 135 19.512 -4.655 -6.622 1.00 53.30 H new ATOM 0 HD3 PRO A 135 19.356 -5.472 -5.080 1.00 53.30 H new ATOM 2139 N LYS A 136 17.830 -0.932 -5.731 1.00 24.42 N ATOM 2140 CA LYS A 136 17.446 0.455 -6.111 1.00 30.13 C ATOM 2141 C LYS A 136 15.927 0.694 -5.934 1.00 3.01 C ATOM 2142 O LYS A 136 15.490 1.837 -5.819 1.00 42.22 O ATOM 2143 CB LYS A 136 17.882 0.791 -7.569 1.00 72.14 C ATOM 2144 CG LYS A 136 17.070 0.082 -8.668 1.00 12.03 C ATOM 2145 CD LYS A 136 17.501 0.446 -10.110 1.00 0.12 C ATOM 2146 CE LYS A 136 18.921 -0.026 -10.457 1.00 73.24 C ATOM 2147 NZ LYS A 136 19.265 0.263 -11.879 1.00 0.03 N ATOM 0 H LYS A 136 18.013 -1.548 -6.523 1.00 24.42 H new ATOM 0 HA LYS A 136 17.976 1.126 -5.435 1.00 30.13 H new ATOM 0 HB2 LYS A 136 17.803 1.868 -7.717 1.00 72.14 H new ATOM 0 HB3 LYS A 136 18.933 0.529 -7.688 1.00 72.14 H new ATOM 0 HG2 LYS A 136 17.162 -0.996 -8.534 1.00 12.03 H new ATOM 0 HG3 LYS A 136 16.016 0.330 -8.542 1.00 12.03 H new ATOM 0 HD2 LYS A 136 16.796 0.004 -10.815 1.00 0.12 H new ATOM 0 HD3 LYS A 136 17.444 1.527 -10.237 1.00 0.12 H new ATOM 0 HE2 LYS A 136 19.639 0.467 -9.801 1.00 73.24 H new ATOM 0 HE3 LYS A 136 19.004 -1.097 -10.273 1.00 73.24 H new ATOM 0 HZ1 LYS A 136 20.230 -0.069 -12.077 1.00 0.03 H new ATOM 0 HZ2 LYS A 136 18.595 -0.228 -12.505 1.00 0.03 H new ATOM 0 HZ3 LYS A 136 19.210 1.288 -12.048 1.00 0.03 H new ATOM 2161 N TYR A 137 15.133 -0.397 -5.931 1.00 22.23 N ATOM 2162 CA TYR A 137 13.657 -0.337 -5.734 1.00 14.34 C ATOM 2163 C TYR A 137 13.288 -0.329 -4.251 1.00 1.33 C ATOM 2164 O TYR A 137 12.143 -0.040 -3.889 1.00 61.03 O ATOM 2165 CB TYR A 137 12.965 -1.504 -6.482 1.00 64.31 C ATOM 2166 CG TYR A 137 13.063 -1.343 -7.998 1.00 54.34 C ATOM 2167 CD1 TYR A 137 14.166 -1.813 -8.697 1.00 20.52 C ATOM 2168 CD2 TYR A 137 12.088 -0.649 -8.715 1.00 11.42 C ATOM 2169 CE1 TYR A 137 14.305 -1.596 -10.053 1.00 13.54 C ATOM 2170 CE2 TYR A 137 12.216 -0.446 -10.076 1.00 60.32 C ATOM 2171 CZ TYR A 137 13.328 -0.913 -10.738 1.00 3.02 C ATOM 2172 OH TYR A 137 13.469 -0.673 -12.091 1.00 44.42 O ATOM 0 H TYR A 137 15.488 -1.344 -6.064 1.00 22.23 H new ATOM 0 HA TYR A 137 13.297 0.601 -6.157 1.00 14.34 H new ATOM 0 HB2 TYR A 137 13.423 -2.448 -6.186 1.00 64.31 H new ATOM 0 HB3 TYR A 137 11.916 -1.553 -6.189 1.00 64.31 H new ATOM 0 HD1 TYR A 137 14.932 -2.360 -8.168 1.00 20.52 H new ATOM 0 HD2 TYR A 137 11.221 -0.265 -8.199 1.00 11.42 H new ATOM 0 HE1 TYR A 137 15.178 -1.961 -10.574 1.00 13.54 H new ATOM 0 HE2 TYR A 137 11.444 0.079 -10.619 1.00 60.32 H new ATOM 0 HH TYR A 137 12.688 -0.180 -12.419 1.00 44.42 H new ATOM 2182 N LEU A 138 14.276 -0.646 -3.406 1.00 63.33 N ATOM 2183 CA LEU A 138 14.164 -0.527 -1.954 1.00 44.04 C ATOM 2184 C LEU A 138 14.069 0.963 -1.551 1.00 45.31 C ATOM 2185 O LEU A 138 15.080 1.670 -1.488 1.00 53.55 O ATOM 2186 CB LEU A 138 15.376 -1.228 -1.282 1.00 70.01 C ATOM 2187 CG LEU A 138 15.412 -2.786 -1.385 1.00 32.32 C ATOM 2188 CD1 LEU A 138 16.713 -3.363 -0.776 1.00 33.12 C ATOM 2189 CD2 LEU A 138 14.162 -3.407 -0.725 1.00 72.22 C ATOM 0 H LEU A 138 15.182 -0.995 -3.717 1.00 63.33 H new ATOM 0 HA LEU A 138 13.254 -1.019 -1.610 1.00 44.04 H new ATOM 0 HB2 LEU A 138 16.290 -0.834 -1.726 1.00 70.01 H new ATOM 0 HB3 LEU A 138 15.390 -0.953 -0.227 1.00 70.01 H new ATOM 0 HG LEU A 138 15.403 -3.051 -2.442 1.00 32.32 H new ATOM 0 HD11 LEU A 138 16.705 -4.449 -0.864 1.00 33.12 H new ATOM 0 HD12 LEU A 138 17.574 -2.962 -1.310 1.00 33.12 H new ATOM 0 HD13 LEU A 138 16.777 -3.085 0.276 1.00 33.12 H new ATOM 0 HD21 LEU A 138 14.208 -4.493 -0.808 1.00 72.22 H new ATOM 0 HD22 LEU A 138 14.128 -3.125 0.327 1.00 72.22 H new ATOM 0 HD23 LEU A 138 13.266 -3.042 -1.227 1.00 72.22 H new ATOM 2201 N HIS A 139 12.826 1.440 -1.357 1.00 64.21 N ATOM 2202 CA HIS A 139 12.524 2.825 -0.936 1.00 34.31 C ATOM 2203 C HIS A 139 11.683 2.787 0.349 1.00 44.12 C ATOM 2204 O HIS A 139 10.578 2.245 0.338 1.00 61.31 O ATOM 2205 CB HIS A 139 11.753 3.595 -2.057 1.00 3.20 C ATOM 2206 CG HIS A 139 12.617 4.074 -3.203 1.00 43.31 C ATOM 2207 ND1 HIS A 139 12.629 5.382 -3.648 1.00 24.13 N ATOM 2208 CD2 HIS A 139 13.468 3.406 -4.016 1.00 31.33 C ATOM 2209 CE1 HIS A 139 13.454 5.495 -4.669 1.00 23.42 C ATOM 2210 NE2 HIS A 139 13.973 4.310 -4.915 1.00 41.31 N ATOM 0 H HIS A 139 11.991 0.869 -1.489 1.00 64.21 H new ATOM 0 HA HIS A 139 13.461 3.350 -0.751 1.00 34.31 H new ATOM 0 HB2 HIS A 139 10.973 2.946 -2.455 1.00 3.20 H new ATOM 0 HB3 HIS A 139 11.255 4.456 -1.611 1.00 3.20 H new ATOM 0 HD2 HIS A 139 13.706 2.354 -3.966 1.00 31.33 H new ATOM 0 HE1 HIS A 139 13.668 6.404 -5.211 1.00 23.42 H new ATOM 0 HE2 HIS A 139 14.643 4.099 -5.655 1.00 41.31 H new ATOM 2219 N GLN A 140 12.209 3.365 1.443 1.00 13.53 N ATOM 2220 CA GLN A 140 11.497 3.448 2.735 1.00 22.33 C ATOM 2221 C GLN A 140 10.329 4.437 2.631 1.00 11.31 C ATOM 2222 O GLN A 140 10.454 5.465 1.961 1.00 4.42 O ATOM 2223 CB GLN A 140 12.459 3.901 3.868 1.00 60.43 C ATOM 2224 CG GLN A 140 13.708 3.018 4.016 1.00 45.53 C ATOM 2225 CD GLN A 140 14.704 3.473 5.092 1.00 11.31 C ATOM 2226 OE1 GLN A 140 14.809 4.659 5.415 1.00 71.41 O ATOM 2227 NE2 GLN A 140 15.472 2.534 5.627 1.00 42.32 N ATOM 0 H GLN A 140 13.137 3.787 1.459 1.00 13.53 H new ATOM 0 HA GLN A 140 11.114 2.456 2.975 1.00 22.33 H new ATOM 0 HB2 GLN A 140 12.772 4.927 3.676 1.00 60.43 H new ATOM 0 HB3 GLN A 140 11.915 3.905 4.813 1.00 60.43 H new ATOM 0 HG2 GLN A 140 13.390 2.001 4.245 1.00 45.53 H new ATOM 0 HG3 GLN A 140 14.224 2.982 3.057 1.00 45.53 H new ATOM 0 HE21 GLN A 140 15.363 1.561 5.340 1.00 42.32 H new ATOM 0 HE22 GLN A 140 16.172 2.784 6.325 1.00 42.32 H new ATOM 2236 N PHE A 141 9.206 4.119 3.290 1.00 74.13 N ATOM 2237 CA PHE A 141 8.045 5.017 3.365 1.00 1.33 C ATOM 2238 C PHE A 141 8.404 6.230 4.238 1.00 63.50 C ATOM 2239 O PHE A 141 8.344 6.160 5.476 1.00 12.24 O ATOM 2240 CB PHE A 141 6.811 4.274 3.931 1.00 34.33 C ATOM 2241 CG PHE A 141 6.369 3.070 3.106 1.00 31.43 C ATOM 2242 CD1 PHE A 141 5.740 3.255 1.880 1.00 50.30 C ATOM 2243 CD2 PHE A 141 6.574 1.762 3.557 1.00 22.14 C ATOM 2244 CE1 PHE A 141 5.329 2.175 1.131 1.00 11.51 C ATOM 2245 CE2 PHE A 141 6.159 0.683 2.805 1.00 2.42 C ATOM 2246 CZ PHE A 141 5.540 0.888 1.591 1.00 12.11 C ATOM 0 H PHE A 141 9.077 3.236 3.784 1.00 74.13 H new ATOM 0 HA PHE A 141 7.788 5.360 2.363 1.00 1.33 H new ATOM 0 HB2 PHE A 141 7.035 3.942 4.945 1.00 34.33 H new ATOM 0 HB3 PHE A 141 5.980 4.976 4.002 1.00 34.33 H new ATOM 0 HD1 PHE A 141 5.572 4.256 1.511 1.00 50.30 H new ATOM 0 HD2 PHE A 141 7.063 1.595 4.505 1.00 22.14 H new ATOM 0 HE1 PHE A 141 4.840 2.334 0.181 1.00 11.51 H new ATOM 0 HE2 PHE A 141 6.319 -0.322 3.167 1.00 2.42 H new ATOM 0 HZ PHE A 141 5.220 0.044 0.999 1.00 12.11 H new ATOM 2256 N GLU A 142 8.856 7.308 3.582 1.00 72.12 N ATOM 2257 CA GLU A 142 9.293 8.533 4.264 1.00 53.33 C ATOM 2258 C GLU A 142 8.085 9.421 4.619 1.00 10.25 C ATOM 2259 O GLU A 142 7.562 10.169 3.784 1.00 43.22 O ATOM 2260 CB GLU A 142 10.360 9.291 3.419 1.00 33.14 C ATOM 2261 CG GLU A 142 9.974 9.576 1.955 1.00 74.13 C ATOM 2262 CD GLU A 142 11.046 10.385 1.217 1.00 3.25 C ATOM 2263 OE1 GLU A 142 11.053 11.628 1.359 1.00 0.10 O ATOM 2264 OE2 GLU A 142 11.903 9.790 0.528 1.00 21.33 O ATOM 0 H GLU A 142 8.929 7.355 2.566 1.00 72.12 H new ATOM 0 HA GLU A 142 9.773 8.256 5.203 1.00 53.33 H new ATOM 0 HB2 GLU A 142 10.578 10.240 3.909 1.00 33.14 H new ATOM 0 HB3 GLU A 142 11.282 8.710 3.426 1.00 33.14 H new ATOM 0 HG2 GLU A 142 9.812 8.632 1.434 1.00 74.13 H new ATOM 0 HG3 GLU A 142 9.030 10.120 1.930 1.00 74.13 H new ATOM 2271 N GLY A 143 7.626 9.290 5.869 1.00 42.33 N ATOM 2272 CA GLY A 143 6.521 10.083 6.394 1.00 20.55 C ATOM 2273 C GLY A 143 5.858 9.402 7.573 1.00 4.34 C ATOM 2274 O GLY A 143 5.853 8.164 7.650 1.00 11.22 O ATOM 0 H GLY A 143 8.014 8.629 6.542 1.00 42.33 H new ATOM 0 HA2 GLY A 143 6.888 11.063 6.698 1.00 20.55 H new ATOM 0 HA3 GLY A 143 5.785 10.248 5.607 1.00 20.55 H new ATOM 2278 N GLU A 144 5.304 10.205 8.495 1.00 71.41 N ATOM 2279 CA GLU A 144 4.612 9.699 9.694 1.00 34.20 C ATOM 2280 C GLU A 144 3.226 9.129 9.320 1.00 55.45 C ATOM 2281 O GLU A 144 2.794 8.108 9.877 1.00 2.15 O ATOM 2282 CB GLU A 144 4.484 10.831 10.751 1.00 43.14 C ATOM 2283 CG GLU A 144 5.839 11.430 11.193 1.00 13.31 C ATOM 2284 CD GLU A 144 5.700 12.590 12.197 1.00 51.23 C ATOM 2285 OE1 GLU A 144 5.347 13.715 11.778 1.00 52.21 O ATOM 2286 OE2 GLU A 144 5.933 12.386 13.411 1.00 31.12 O ATOM 0 H GLU A 144 5.322 11.223 8.432 1.00 71.41 H new ATOM 0 HA GLU A 144 5.200 8.889 10.127 1.00 34.20 H new ATOM 0 HB2 GLU A 144 3.861 11.627 10.343 1.00 43.14 H new ATOM 0 HB3 GLU A 144 3.967 10.440 11.627 1.00 43.14 H new ATOM 0 HG2 GLU A 144 6.446 10.643 11.641 1.00 13.31 H new ATOM 0 HG3 GLU A 144 6.375 11.784 10.313 1.00 13.31 H new ATOM 2293 N THR A 145 2.548 9.793 8.366 1.00 4.43 N ATOM 2294 CA THR A 145 1.201 9.404 7.916 1.00 52.03 C ATOM 2295 C THR A 145 1.268 8.410 6.735 1.00 54.41 C ATOM 2296 O THR A 145 1.761 8.747 5.648 1.00 32.42 O ATOM 2297 CB THR A 145 0.360 10.658 7.506 1.00 52.53 C ATOM 2298 OG1 THR A 145 0.384 11.617 8.570 1.00 75.30 O ATOM 2299 CG2 THR A 145 -1.108 10.295 7.193 1.00 24.41 C ATOM 0 H THR A 145 2.919 10.613 7.887 1.00 4.43 H new ATOM 0 HA THR A 145 0.711 8.912 8.756 1.00 52.03 H new ATOM 0 HB THR A 145 0.807 11.072 6.602 1.00 52.53 H new ATOM 0 HG1 THR A 145 -0.141 12.404 8.313 1.00 75.30 H new ATOM 0 HG21 THR A 145 -1.654 11.196 6.913 1.00 24.41 H new ATOM 0 HG22 THR A 145 -1.139 9.582 6.369 1.00 24.41 H new ATOM 0 HG23 THR A 145 -1.569 9.851 8.075 1.00 24.41 H new ATOM 2307 N PHE A 146 0.780 7.183 6.982 1.00 3.32 N ATOM 2308 CA PHE A 146 0.566 6.148 5.953 1.00 32.15 C ATOM 2309 C PHE A 146 -0.849 6.274 5.370 1.00 43.30 C ATOM 2310 O PHE A 146 -1.784 6.662 6.075 1.00 14.23 O ATOM 2311 CB PHE A 146 0.745 4.731 6.569 1.00 63.23 C ATOM 2312 CG PHE A 146 2.196 4.275 6.699 1.00 11.11 C ATOM 2313 CD1 PHE A 146 3.017 4.737 7.729 1.00 73.11 C ATOM 2314 CD2 PHE A 146 2.734 3.377 5.781 1.00 70.41 C ATOM 2315 CE1 PHE A 146 4.329 4.307 7.829 1.00 52.31 C ATOM 2316 CE2 PHE A 146 4.038 2.950 5.885 1.00 51.23 C ATOM 2317 CZ PHE A 146 4.836 3.413 6.908 1.00 30.10 C ATOM 0 H PHE A 146 0.518 6.876 7.919 1.00 3.32 H new ATOM 0 HA PHE A 146 1.300 6.289 5.160 1.00 32.15 H new ATOM 0 HB2 PHE A 146 0.283 4.717 7.556 1.00 63.23 H new ATOM 0 HB3 PHE A 146 0.205 4.011 5.954 1.00 63.23 H new ATOM 0 HD1 PHE A 146 2.625 5.436 8.454 1.00 73.11 H new ATOM 0 HD2 PHE A 146 2.118 3.009 4.974 1.00 70.41 H new ATOM 0 HE1 PHE A 146 4.957 4.672 8.629 1.00 52.31 H new ATOM 0 HE2 PHE A 146 4.436 2.251 5.164 1.00 51.23 H new ATOM 0 HZ PHE A 146 5.859 3.076 6.989 1.00 30.10 H new ATOM 2327 N TYR A 147 -0.977 5.960 4.074 1.00 43.13 N ATOM 2328 CA TYR A 147 -2.267 5.870 3.373 1.00 74.45 C ATOM 2329 C TYR A 147 -2.442 4.438 2.848 1.00 62.52 C ATOM 2330 O TYR A 147 -1.655 3.976 2.016 1.00 73.13 O ATOM 2331 CB TYR A 147 -2.343 6.899 2.210 1.00 40.12 C ATOM 2332 CG TYR A 147 -2.496 8.360 2.664 1.00 71.50 C ATOM 2333 CD1 TYR A 147 -1.434 9.057 3.239 1.00 64.34 C ATOM 2334 CD2 TYR A 147 -3.703 9.040 2.514 1.00 42.12 C ATOM 2335 CE1 TYR A 147 -1.578 10.369 3.645 1.00 33.54 C ATOM 2336 CE2 TYR A 147 -3.843 10.354 2.920 1.00 73.10 C ATOM 2337 CZ TYR A 147 -2.777 11.010 3.484 1.00 64.33 C ATOM 2338 OH TYR A 147 -2.913 12.318 3.895 1.00 14.12 O ATOM 0 H TYR A 147 -0.177 5.758 3.474 1.00 43.13 H new ATOM 0 HA TYR A 147 -3.074 6.107 4.066 1.00 74.45 H new ATOM 0 HB2 TYR A 147 -1.441 6.812 1.604 1.00 40.12 H new ATOM 0 HB3 TYR A 147 -3.185 6.641 1.567 1.00 40.12 H new ATOM 0 HD1 TYR A 147 -0.483 8.562 3.369 1.00 64.34 H new ATOM 0 HD2 TYR A 147 -4.546 8.530 2.072 1.00 42.12 H new ATOM 0 HE1 TYR A 147 -0.743 10.890 4.090 1.00 33.54 H new ATOM 0 HE2 TYR A 147 -4.787 10.863 2.794 1.00 73.10 H new ATOM 0 HH TYR A 147 -2.037 12.758 3.881 1.00 14.12 H new ATOM 2348 N ILE A 148 -3.446 3.729 3.376 1.00 20.53 N ATOM 2349 CA ILE A 148 -3.771 2.354 2.963 1.00 74.50 C ATOM 2350 C ILE A 148 -5.029 2.385 2.074 1.00 3.34 C ATOM 2351 O ILE A 148 -6.106 2.783 2.518 1.00 64.14 O ATOM 2352 CB ILE A 148 -3.975 1.408 4.207 1.00 14.44 C ATOM 2353 CG1 ILE A 148 -2.656 1.324 5.055 1.00 0.32 C ATOM 2354 CG2 ILE A 148 -4.437 0.001 3.763 1.00 13.22 C ATOM 2355 CD1 ILE A 148 -2.711 0.384 6.253 1.00 72.24 C ATOM 0 H ILE A 148 -4.060 4.092 4.105 1.00 20.53 H new ATOM 0 HA ILE A 148 -2.935 1.946 2.395 1.00 74.50 H new ATOM 0 HB ILE A 148 -4.759 1.833 4.834 1.00 14.44 H new ATOM 0 HG12 ILE A 148 -1.843 1.006 4.402 1.00 0.32 H new ATOM 0 HG13 ILE A 148 -2.407 2.324 5.410 1.00 0.32 H new ATOM 0 HG21 ILE A 148 -4.570 -0.632 4.640 1.00 13.22 H new ATOM 0 HG22 ILE A 148 -5.382 0.081 3.226 1.00 13.22 H new ATOM 0 HG23 ILE A 148 -3.685 -0.439 3.109 1.00 13.22 H new ATOM 0 HD11 ILE A 148 -1.752 0.398 6.771 1.00 72.24 H new ATOM 0 HD12 ILE A 148 -3.497 0.709 6.935 1.00 72.24 H new ATOM 0 HD13 ILE A 148 -2.924 -0.629 5.911 1.00 72.24 H new ATOM 2367 N ILE A 149 -4.861 1.986 0.805 1.00 64.43 N ATOM 2368 CA ILE A 149 -5.920 2.039 -0.216 1.00 60.22 C ATOM 2369 C ILE A 149 -6.487 0.630 -0.450 1.00 44.52 C ATOM 2370 O ILE A 149 -5.733 -0.289 -0.780 1.00 53.30 O ATOM 2371 CB ILE A 149 -5.348 2.630 -1.563 1.00 21.25 C ATOM 2372 CG1 ILE A 149 -4.638 4.008 -1.315 1.00 4.52 C ATOM 2373 CG2 ILE A 149 -6.449 2.755 -2.645 1.00 21.35 C ATOM 2374 CD1 ILE A 149 -5.485 5.059 -0.605 1.00 12.32 C ATOM 0 H ILE A 149 -3.978 1.614 0.454 1.00 64.43 H new ATOM 0 HA ILE A 149 -6.721 2.689 0.135 1.00 60.22 H new ATOM 0 HB ILE A 149 -4.603 1.929 -1.938 1.00 21.25 H new ATOM 0 HG12 ILE A 149 -3.737 3.833 -0.727 1.00 4.52 H new ATOM 0 HG13 ILE A 149 -4.318 4.411 -2.276 1.00 4.52 H new ATOM 0 HG21 ILE A 149 -6.017 3.165 -3.558 1.00 21.35 H new ATOM 0 HG22 ILE A 149 -6.868 1.771 -2.853 1.00 21.35 H new ATOM 0 HG23 ILE A 149 -7.237 3.417 -2.287 1.00 21.35 H new ATOM 0 HD11 ILE A 149 -4.903 5.973 -0.482 1.00 12.32 H new ATOM 0 HD12 ILE A 149 -6.374 5.272 -1.199 1.00 12.32 H new ATOM 0 HD13 ILE A 149 -5.784 4.685 0.374 1.00 12.32 H new ATOM 2386 N GLU A 150 -7.809 0.481 -0.285 1.00 41.43 N ATOM 2387 CA GLU A 150 -8.505 -0.802 -0.445 1.00 64.12 C ATOM 2388 C GLU A 150 -8.618 -1.172 -1.939 1.00 4.30 C ATOM 2389 O GLU A 150 -9.146 -0.398 -2.750 1.00 33.53 O ATOM 2390 CB GLU A 150 -9.904 -0.726 0.222 1.00 30.32 C ATOM 2391 CG GLU A 150 -10.682 -2.059 0.249 1.00 51.14 C ATOM 2392 CD GLU A 150 -12.017 -1.973 1.003 1.00 23.25 C ATOM 2393 OE1 GLU A 150 -13.038 -1.617 0.373 1.00 64.23 O ATOM 2394 OE2 GLU A 150 -12.064 -2.298 2.213 1.00 1.23 O ATOM 0 H GLU A 150 -8.428 1.252 -0.035 1.00 41.43 H new ATOM 0 HA GLU A 150 -7.930 -1.586 0.048 1.00 64.12 H new ATOM 0 HB2 GLU A 150 -9.784 -0.371 1.246 1.00 30.32 H new ATOM 0 HB3 GLU A 150 -10.502 0.017 -0.305 1.00 30.32 H new ATOM 0 HG2 GLU A 150 -10.872 -2.381 -0.775 1.00 51.14 H new ATOM 0 HG3 GLU A 150 -10.060 -2.824 0.713 1.00 51.14 H new ATOM 2401 N GLN A 151 -8.088 -2.354 -2.277 1.00 1.24 N ATOM 2402 CA GLN A 151 -8.095 -2.903 -3.647 1.00 32.14 C ATOM 2403 C GLN A 151 -8.955 -4.180 -3.666 1.00 54.04 C ATOM 2404 O GLN A 151 -8.498 -5.250 -3.262 1.00 15.22 O ATOM 2405 CB GLN A 151 -6.635 -3.238 -4.093 1.00 73.43 C ATOM 2406 CG GLN A 151 -5.641 -2.059 -4.029 1.00 52.44 C ATOM 2407 CD GLN A 151 -5.908 -0.978 -5.073 1.00 63.21 C ATOM 2408 OE1 GLN A 151 -5.371 -1.029 -6.180 1.00 42.34 O ATOM 2409 NE2 GLN A 151 -6.745 -0.008 -4.744 1.00 1.14 N ATOM 0 H GLN A 151 -7.635 -2.968 -1.600 1.00 1.24 H new ATOM 0 HA GLN A 151 -8.511 -2.168 -4.337 1.00 32.14 H new ATOM 0 HB2 GLN A 151 -6.257 -4.045 -3.466 1.00 73.43 H new ATOM 0 HB3 GLN A 151 -6.662 -3.614 -5.116 1.00 73.43 H new ATOM 0 HG2 GLN A 151 -5.684 -1.612 -3.036 1.00 52.44 H new ATOM 0 HG3 GLN A 151 -4.629 -2.440 -4.163 1.00 52.44 H new ATOM 0 HE21 GLN A 151 -7.173 0.004 -3.818 1.00 1.14 H new ATOM 0 HE22 GLN A 151 -6.963 0.728 -5.416 1.00 1.14 H new ATOM 2418 N ARG A 152 -10.196 -4.055 -4.131 1.00 34.02 N ATOM 2419 CA ARG A 152 -11.145 -5.179 -4.217 1.00 71.23 C ATOM 2420 C ARG A 152 -11.004 -5.884 -5.584 1.00 12.01 C ATOM 2421 O ARG A 152 -10.662 -5.235 -6.585 1.00 51.42 O ATOM 2422 CB ARG A 152 -12.588 -4.636 -4.013 1.00 41.43 C ATOM 2423 CG ARG A 152 -12.880 -4.095 -2.586 1.00 71.41 C ATOM 2424 CD ARG A 152 -13.140 -5.211 -1.563 1.00 64.12 C ATOM 2425 NE ARG A 152 -13.305 -4.705 -0.192 1.00 43.31 N ATOM 2426 CZ ARG A 152 -13.333 -5.474 0.913 1.00 2.02 C ATOM 2427 NH1 ARG A 152 -13.217 -6.797 0.825 1.00 50.52 N ATOM 2428 NH2 ARG A 152 -13.445 -4.909 2.109 1.00 74.12 N ATOM 0 H ARG A 152 -10.580 -3.170 -4.462 1.00 34.02 H new ATOM 0 HA ARG A 152 -10.930 -5.912 -3.439 1.00 71.23 H new ATOM 0 HB2 ARG A 152 -12.767 -3.838 -4.734 1.00 41.43 H new ATOM 0 HB3 ARG A 152 -13.297 -5.433 -4.237 1.00 41.43 H new ATOM 0 HG2 ARG A 152 -12.035 -3.493 -2.252 1.00 71.41 H new ATOM 0 HG3 ARG A 152 -13.747 -3.435 -2.624 1.00 71.41 H new ATOM 0 HD2 ARG A 152 -14.036 -5.760 -1.852 1.00 64.12 H new ATOM 0 HD3 ARG A 152 -12.311 -5.918 -1.586 1.00 64.12 H new ATOM 0 HE ARG A 152 -13.406 -3.697 -0.069 1.00 43.31 H new ATOM 0 HH11 ARG A 152 -13.105 -7.240 -0.087 1.00 50.52 H new ATOM 0 HH12 ARG A 152 -13.240 -7.368 1.670 1.00 50.52 H new ATOM 0 HH21 ARG A 152 -13.510 -3.894 2.190 1.00 74.12 H new ATOM 0 HH22 ARG A 152 -13.466 -5.490 2.947 1.00 74.12 H new ATOM 2442 N LEU A 153 -11.252 -7.214 -5.613 1.00 1.22 N ATOM 2443 CA LEU A 153 -11.261 -7.993 -6.872 1.00 10.54 C ATOM 2444 C LEU A 153 -12.439 -7.556 -7.764 1.00 31.24 C ATOM 2445 O LEU A 153 -13.531 -7.248 -7.258 1.00 23.32 O ATOM 2446 CB LEU A 153 -11.319 -9.526 -6.589 1.00 4.33 C ATOM 2447 CG LEU A 153 -10.009 -10.150 -6.012 1.00 12.12 C ATOM 2448 CD1 LEU A 153 -10.200 -11.644 -5.682 1.00 21.32 C ATOM 2449 CD2 LEU A 153 -8.823 -9.945 -6.982 1.00 64.41 C ATOM 0 H LEU A 153 -11.448 -7.769 -4.780 1.00 1.22 H new ATOM 0 HA LEU A 153 -10.330 -7.791 -7.402 1.00 10.54 H new ATOM 0 HB2 LEU A 153 -12.132 -9.719 -5.889 1.00 4.33 H new ATOM 0 HB3 LEU A 153 -11.568 -10.041 -7.517 1.00 4.33 H new ATOM 0 HG LEU A 153 -9.777 -9.631 -5.082 1.00 12.12 H new ATOM 0 HD11 LEU A 153 -9.271 -12.050 -5.282 1.00 21.32 H new ATOM 0 HD12 LEU A 153 -10.992 -11.755 -4.942 1.00 21.32 H new ATOM 0 HD13 LEU A 153 -10.472 -12.185 -6.588 1.00 21.32 H new ATOM 0 HD21 LEU A 153 -7.923 -10.389 -6.556 1.00 64.41 H new ATOM 0 HD22 LEU A 153 -9.046 -10.423 -7.936 1.00 64.41 H new ATOM 0 HD23 LEU A 153 -8.662 -8.879 -7.139 1.00 64.41 H new