USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 508 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 Single : A 9 MET CE :methyl 177:sc= -0.534 (180deg=-0.545) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 0.692 (180deg=0.643) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -160:sc= -1.56! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -173:sc=-0.00113 (180deg=-0.0632) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00241) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 72:sc= 0.444 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -105:sc= 0.473 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00539) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 18.694 -10.005 3.034 1.00 0.00 N ATOM 124 CA MET A 9 18.892 -11.337 2.425 1.00 0.00 C ATOM 125 C MET A 9 20.214 -11.963 2.911 1.00 0.00 C ATOM 126 O MET A 9 21.144 -11.246 3.284 1.00 0.00 O ATOM 127 CB MET A 9 18.871 -11.220 0.874 1.00 0.00 C ATOM 128 CG MET A 9 17.511 -10.777 0.291 1.00 0.00 C ATOM 129 SD MET A 9 17.516 -10.613 -1.513 1.00 0.00 S ATOM 130 CE MET A 9 18.688 -9.276 -1.763 1.00 0.00 C ATOM 0 HA MET A 9 18.077 -11.991 2.734 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.636 -10.508 0.564 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.141 -12.185 0.444 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.748 -11.500 0.580 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.229 -9.822 0.734 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.826 -9.108 -2.831 1.00 0.00 H new ATOM 0 HE2 MET A 9 18.307 -8.366 -1.299 1.00 0.00 H new ATOM 0 HE3 MET A 9 19.644 -9.541 -1.311 1.00 0.00 H new ATOM 140 N TYR A 10 20.294 -13.298 2.905 1.00 0.00 N ATOM 141 CA TYR A 10 21.445 -14.031 3.471 1.00 0.00 C ATOM 142 C TYR A 10 22.525 -14.274 2.407 1.00 0.00 C ATOM 143 O TYR A 10 22.224 -14.640 1.268 1.00 0.00 O ATOM 144 CB TYR A 10 20.965 -15.355 4.122 1.00 0.00 C ATOM 145 CG TYR A 10 20.029 -15.107 5.314 1.00 0.00 C ATOM 146 CD1 TYR A 10 20.536 -14.601 6.513 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.649 -15.318 5.229 1.00 0.00 C ATOM 148 CE1 TYR A 10 19.712 -14.326 7.582 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.819 -15.031 6.300 1.00 0.00 C ATOM 150 CZ TYR A 10 18.357 -14.537 7.470 1.00 0.00 C ATOM 151 OH TYR A 10 17.532 -14.234 8.527 1.00 0.00 O ATOM 0 H TYR A 10 19.572 -13.902 2.512 1.00 0.00 H new ATOM 0 HA TYR A 10 21.902 -13.420 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.449 -15.959 3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.830 -15.929 4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.597 -14.421 6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.225 -15.710 4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 10 20.128 -13.947 8.504 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.754 -15.193 6.219 1.00 0.00 H new ATOM 0 HH TYR A 10 16.604 -14.440 8.287 1.00 0.00 H new ATOM 161 N VAL A 11 23.787 -14.045 2.802 1.00 0.00 N ATOM 162 CA VAL A 11 24.954 -14.168 1.917 1.00 0.00 C ATOM 163 C VAL A 11 25.528 -15.589 2.011 1.00 0.00 C ATOM 164 O VAL A 11 25.717 -16.121 3.108 1.00 0.00 O ATOM 165 CB VAL A 11 26.040 -13.094 2.283 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.306 -13.212 1.397 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.431 -11.673 2.201 1.00 0.00 C ATOM 0 H VAL A 11 24.027 -13.767 3.753 1.00 0.00 H new ATOM 0 HA VAL A 11 24.643 -13.987 0.888 1.00 0.00 H new ATOM 0 HB VAL A 11 26.360 -13.283 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 11 28.027 -12.448 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.750 -14.199 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 11 27.033 -13.072 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.192 -10.936 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.073 -11.489 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.599 -11.593 2.900 1.00 0.00 H new ATOM 177 N PHE A 12 25.752 -16.207 0.846 1.00 0.00 N ATOM 178 CA PHE A 12 26.294 -17.561 0.712 1.00 0.00 C ATOM 179 C PHE A 12 27.628 -17.508 -0.041 1.00 0.00 C ATOM 180 O PHE A 12 27.714 -16.924 -1.121 1.00 0.00 O ATOM 181 CB PHE A 12 25.288 -18.484 -0.038 1.00 0.00 C ATOM 182 CG PHE A 12 24.015 -18.792 0.751 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.035 -17.822 0.932 1.00 0.00 C ATOM 184 CD2 PHE A 12 23.809 -20.045 1.324 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.892 -18.091 1.657 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.661 -20.313 2.045 1.00 0.00 C ATOM 187 CZ PHE A 12 21.706 -19.335 2.213 1.00 0.00 C ATOM 0 H PHE A 12 25.556 -15.766 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 12 26.458 -17.975 1.707 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.013 -18.012 -0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.786 -19.422 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.171 -16.842 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.555 -20.816 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.143 -17.324 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.512 -21.291 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.812 -19.545 2.781 1.00 0.00 H new ATOM 197 N LYS A 13 28.662 -18.108 0.555 1.00 0.00 N ATOM 198 CA LYS A 13 29.962 -18.304 -0.077 1.00 0.00 C ATOM 199 C LYS A 13 29.829 -19.503 -1.038 1.00 0.00 C ATOM 200 O LYS A 13 29.959 -20.659 -0.632 1.00 0.00 O ATOM 201 CB LYS A 13 31.026 -18.534 1.034 1.00 0.00 C ATOM 202 CG LYS A 13 32.483 -18.632 0.560 1.00 0.00 C ATOM 203 CD LYS A 13 32.995 -17.331 -0.102 1.00 0.00 C ATOM 204 CE LYS A 13 34.503 -17.373 -0.368 1.00 0.00 C ATOM 205 NZ LYS A 13 34.892 -18.557 -1.177 1.00 0.00 N ATOM 0 H LYS A 13 28.615 -18.476 1.505 1.00 0.00 H new ATOM 0 HA LYS A 13 30.284 -17.436 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.953 -17.719 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.775 -19.452 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.120 -18.875 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.573 -19.454 -0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.466 -17.171 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 13 32.765 -16.482 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.805 -16.464 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.038 -17.391 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.929 -18.613 -1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.523 -19.420 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.497 -18.468 -2.135 1.00 0.00 H new ATOM 219 N GLY A 14 29.482 -19.211 -2.301 1.00 0.00 N ATOM 220 CA GLY A 14 29.139 -20.250 -3.266 1.00 0.00 C ATOM 221 C GLY A 14 27.780 -20.861 -2.936 1.00 0.00 C ATOM 222 O GLY A 14 26.741 -20.292 -3.300 1.00 0.00 O ATOM 0 H GLY A 14 29.434 -18.262 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.120 -19.829 -4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 14 29.904 -21.026 -3.260 1.00 0.00 H new ATOM 226 N GLU A 15 27.783 -21.993 -2.209 1.00 0.00 N ATOM 227 CA GLU A 15 26.549 -22.674 -1.755 1.00 0.00 C ATOM 228 C GLU A 15 26.491 -22.730 -0.212 1.00 0.00 C ATOM 229 O GLU A 15 25.406 -22.879 0.362 1.00 0.00 O ATOM 230 CB GLU A 15 26.425 -24.110 -2.364 1.00 0.00 C ATOM 231 CG GLU A 15 27.449 -25.159 -1.862 1.00 0.00 C ATOM 232 CD GLU A 15 28.887 -24.902 -2.336 1.00 0.00 C ATOM 233 OE1 GLU A 15 29.233 -25.328 -3.461 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.675 -24.261 -1.604 1.00 0.00 O ATOM 0 H GLU A 15 28.639 -22.464 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 15 25.701 -22.090 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.422 -24.484 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.518 -24.032 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.434 -25.175 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.137 -26.147 -2.199 1.00 0.00 H new ATOM 241 N GLU A 16 27.660 -22.604 0.461 1.00 0.00 N ATOM 242 CA GLU A 16 27.727 -22.656 1.940 1.00 0.00 C ATOM 243 C GLU A 16 27.299 -21.291 2.517 1.00 0.00 C ATOM 244 O GLU A 16 27.578 -20.251 1.914 1.00 0.00 O ATOM 245 CB GLU A 16 29.159 -23.056 2.419 1.00 0.00 C ATOM 246 CG GLU A 16 30.237 -21.993 2.168 1.00 0.00 C ATOM 247 CD GLU A 16 31.670 -22.446 2.483 1.00 0.00 C ATOM 248 OE1 GLU A 16 31.996 -22.634 3.674 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.481 -22.601 1.542 1.00 0.00 O ATOM 0 H GLU A 16 28.563 -22.467 0.006 1.00 0.00 H new ATOM 0 HA GLU A 16 27.042 -23.421 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.123 -23.273 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.452 -23.977 1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.189 -21.686 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.008 -21.113 2.770 1.00 0.00 H new ATOM 256 N SER A 17 26.606 -21.301 3.667 1.00 0.00 N ATOM 257 CA SER A 17 26.112 -20.070 4.313 1.00 0.00 C ATOM 258 C SER A 17 27.290 -19.257 4.890 1.00 0.00 C ATOM 259 O SER A 17 27.947 -19.694 5.847 1.00 0.00 O ATOM 260 CB SER A 17 25.086 -20.422 5.417 1.00 0.00 C ATOM 261 OG SER A 17 24.591 -19.256 6.059 1.00 0.00 O ATOM 0 H SER A 17 26.373 -22.155 4.174 1.00 0.00 H new ATOM 0 HA SER A 17 25.611 -19.454 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.256 -20.978 4.980 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.553 -21.074 6.155 1.00 0.00 H new ATOM 0 HG SER A 17 23.945 -19.512 6.750 1.00 0.00 H new ATOM 267 N PHE A 18 27.564 -18.088 4.280 1.00 0.00 N ATOM 268 CA PHE A 18 28.668 -17.208 4.690 1.00 0.00 C ATOM 269 C PHE A 18 28.246 -16.333 5.883 1.00 0.00 C ATOM 270 O PHE A 18 28.949 -16.275 6.898 1.00 0.00 O ATOM 271 CB PHE A 18 29.126 -16.324 3.499 1.00 0.00 C ATOM 272 CG PHE A 18 30.318 -15.422 3.816 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.590 -15.964 3.989 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.164 -14.042 3.968 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.667 -15.155 4.297 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.243 -13.237 4.279 1.00 0.00 C ATOM 277 CZ PHE A 18 32.492 -13.796 4.446 1.00 0.00 C ATOM 0 H PHE A 18 27.026 -17.730 3.491 1.00 0.00 H new ATOM 0 HA PHE A 18 29.508 -17.829 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.385 -16.969 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.289 -15.704 3.178 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.736 -17.029 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.188 -13.598 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.648 -15.589 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.108 -12.171 4.391 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.335 -13.168 4.694 1.00 0.00 H new ATOM 287 N GLY A 19 27.093 -15.660 5.738 1.00 0.00 N ATOM 288 CA GLY A 19 26.587 -14.744 6.755 1.00 0.00 C ATOM 289 C GLY A 19 25.260 -14.122 6.348 1.00 0.00 C ATOM 290 O GLY A 19 24.428 -14.774 5.701 1.00 0.00 O ATOM 0 H GLY A 19 26.494 -15.739 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.464 -15.279 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.319 -13.956 6.930 1.00 0.00 H new ATOM 294 N GLU A 20 25.074 -12.842 6.702 1.00 0.00 N ATOM 295 CA GLU A 20 23.832 -12.096 6.446 1.00 0.00 C ATOM 296 C GLU A 20 24.164 -10.681 5.940 1.00 0.00 C ATOM 297 O GLU A 20 25.040 -10.005 6.494 1.00 0.00 O ATOM 298 CB GLU A 20 22.980 -12.039 7.752 1.00 0.00 C ATOM 299 CG GLU A 20 23.712 -11.421 8.959 1.00 0.00 C ATOM 300 CD GLU A 20 22.925 -11.486 10.273 1.00 0.00 C ATOM 301 OE1 GLU A 20 22.937 -12.548 10.924 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.303 -10.479 10.671 1.00 0.00 O ATOM 0 H GLU A 20 25.787 -12.290 7.178 1.00 0.00 H new ATOM 0 HA GLU A 20 23.251 -12.603 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.075 -11.464 7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.665 -13.050 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.664 -11.934 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.940 -10.379 8.736 1.00 0.00 H new ATOM 309 N SER A 21 23.479 -10.251 4.867 1.00 0.00 N ATOM 310 CA SER A 21 23.571 -8.874 4.367 1.00 0.00 C ATOM 311 C SER A 21 22.775 -7.962 5.309 1.00 0.00 C ATOM 312 O SER A 21 21.546 -7.993 5.307 1.00 0.00 O ATOM 313 CB SER A 21 23.024 -8.786 2.917 1.00 0.00 C ATOM 314 OG SER A 21 22.988 -7.451 2.448 1.00 0.00 O ATOM 0 H SER A 21 22.851 -10.846 4.327 1.00 0.00 H new ATOM 0 HA SER A 21 24.613 -8.554 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.649 -9.387 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.021 -9.211 2.881 1.00 0.00 H new ATOM 0 HG SER A 21 22.367 -7.386 1.693 1.00 0.00 H new ATOM 320 N ILE A 22 23.490 -7.170 6.119 1.00 0.00 N ATOM 321 CA ILE A 22 22.879 -6.269 7.120 1.00 0.00 C ATOM 322 C ILE A 22 22.781 -4.846 6.533 1.00 0.00 C ATOM 323 O ILE A 22 21.753 -4.168 6.684 1.00 0.00 O ATOM 324 CB ILE A 22 23.690 -6.320 8.495 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.067 -5.424 9.640 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.189 -6.013 8.293 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.448 -3.942 9.649 1.00 0.00 C ATOM 0 H ILE A 22 24.509 -7.132 6.103 1.00 0.00 H new ATOM 0 HA ILE A 22 21.867 -6.601 7.352 1.00 0.00 H new ATOM 0 HB ILE A 22 23.600 -7.350 8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.981 -5.494 9.572 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.354 -5.853 10.600 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.702 -6.058 9.253 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.623 -6.748 7.615 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.302 -5.016 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.954 -3.444 10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.528 -3.845 9.757 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.134 -3.480 8.713 1.00 0.00 H new ATOM 339 N ASP A 23 23.840 -4.428 5.817 1.00 0.00 N ATOM 340 CA ASP A 23 23.999 -3.044 5.338 1.00 0.00 C ATOM 341 C ASP A 23 24.787 -3.037 4.009 1.00 0.00 C ATOM 342 O ASP A 23 25.277 -4.080 3.564 1.00 0.00 O ATOM 343 CB ASP A 23 24.721 -2.224 6.454 1.00 0.00 C ATOM 344 CG ASP A 23 24.871 -0.721 6.157 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.926 0.050 6.431 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.940 -0.303 5.662 1.00 0.00 O ATOM 0 H ASP A 23 24.611 -5.042 5.554 1.00 0.00 H new ATOM 0 HA ASP A 23 23.031 -2.585 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.169 -2.342 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.712 -2.649 6.614 1.00 0.00 H new ATOM 351 N VAL A 24 24.870 -1.860 3.370 1.00 0.00 N ATOM 352 CA VAL A 24 25.711 -1.615 2.189 1.00 0.00 C ATOM 353 C VAL A 24 26.102 -0.121 2.166 1.00 0.00 C ATOM 354 O VAL A 24 25.319 0.736 2.602 1.00 0.00 O ATOM 355 CB VAL A 24 24.971 -2.027 0.851 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.666 -1.215 0.639 1.00 0.00 C ATOM 357 CG2 VAL A 24 25.921 -1.933 -0.377 1.00 0.00 C ATOM 0 H VAL A 24 24.345 -1.037 3.665 1.00 0.00 H new ATOM 0 HA VAL A 24 26.608 -2.231 2.254 1.00 0.00 H new ATOM 0 HB VAL A 24 24.678 -3.072 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.189 -1.528 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 24 22.987 -1.393 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.903 -0.153 0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.381 -2.223 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.279 -0.909 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 24 26.770 -2.601 -0.232 1.00 0.00 H new ATOM 367 N TYR A 25 27.326 0.181 1.697 1.00 0.00 N ATOM 368 CA TYR A 25 27.776 1.564 1.444 1.00 0.00 C ATOM 369 C TYR A 25 28.662 1.563 0.180 1.00 0.00 C ATOM 370 O TYR A 25 29.612 0.766 0.078 1.00 0.00 O ATOM 371 CB TYR A 25 28.512 2.174 2.685 1.00 0.00 C ATOM 372 CG TYR A 25 29.965 1.717 2.904 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.262 0.432 3.351 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.042 2.575 2.642 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.569 0.022 3.532 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.346 2.165 2.818 1.00 0.00 C ATOM 377 CZ TYR A 25 32.606 0.887 3.265 1.00 0.00 C ATOM 378 OH TYR A 25 33.906 0.472 3.439 1.00 0.00 O ATOM 0 H TYR A 25 28.031 -0.525 1.483 1.00 0.00 H new ATOM 0 HA TYR A 25 26.911 2.205 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.505 3.260 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.937 1.930 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.456 -0.256 3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.846 3.579 2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.777 -0.978 3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.161 2.842 2.607 1.00 0.00 H new ATOM 0 HH TYR A 25 34.517 1.202 3.206 1.00 0.00 H new ATOM 388 N GLY A 26 28.322 2.435 -0.783 1.00 0.00 N ATOM 389 CA GLY A 26 29.035 2.523 -2.058 1.00 0.00 C ATOM 390 C GLY A 26 28.993 1.217 -2.849 1.00 0.00 C ATOM 391 O GLY A 26 27.940 0.837 -3.369 1.00 0.00 O ATOM 0 H GLY A 26 27.548 3.094 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.599 3.321 -2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.073 2.796 -1.871 1.00 0.00 H new ATOM 395 N ASP A 27 30.141 0.514 -2.889 1.00 0.00 N ATOM 396 CA ASP A 27 30.296 -0.784 -3.588 1.00 0.00 C ATOM 397 C ASP A 27 30.393 -1.952 -2.579 1.00 0.00 C ATOM 398 O ASP A 27 30.249 -3.123 -2.944 1.00 0.00 O ATOM 399 CB ASP A 27 31.566 -0.736 -4.487 1.00 0.00 C ATOM 400 CG ASP A 27 31.776 -2.010 -5.335 1.00 0.00 C ATOM 401 OD1 ASP A 27 31.100 -2.160 -6.375 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.618 -2.865 -4.967 1.00 0.00 O ATOM 0 H ASP A 27 30.997 0.831 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 27 29.417 -0.956 -4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 27 31.497 0.125 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.441 -0.582 -3.856 1.00 0.00 H new ATOM 407 N TYR A 28 30.641 -1.633 -1.300 1.00 0.00 N ATOM 408 CA TYR A 28 30.933 -2.646 -0.276 1.00 0.00 C ATOM 409 C TYR A 28 29.677 -2.998 0.529 1.00 0.00 C ATOM 410 O TYR A 28 29.186 -2.205 1.344 1.00 0.00 O ATOM 411 CB TYR A 28 32.096 -2.170 0.619 1.00 0.00 C ATOM 412 CG TYR A 28 33.373 -1.942 -0.201 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.205 -3.011 -0.546 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.698 -0.678 -0.692 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.318 -2.822 -1.338 1.00 0.00 C ATOM 416 CE2 TYR A 28 34.802 -0.489 -1.498 1.00 0.00 C ATOM 417 CZ TYR A 28 35.608 -1.559 -1.815 1.00 0.00 C ATOM 418 OH TYR A 28 36.698 -1.374 -2.637 1.00 0.00 O ATOM 0 H TYR A 28 30.645 -0.675 -0.949 1.00 0.00 H new ATOM 0 HA TYR A 28 31.250 -3.567 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.815 -1.245 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.287 -2.911 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 28 33.972 -4.002 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.075 0.167 -0.437 1.00 0.00 H new ATOM 0 HE1 TYR A 28 35.959 -3.656 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.033 0.495 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 28 36.763 -0.428 -2.886 1.00 0.00 H new ATOM 428 N LEU A 29 29.172 -4.209 0.253 1.00 0.00 N ATOM 429 CA LEU A 29 28.050 -4.824 0.955 1.00 0.00 C ATOM 430 C LEU A 29 28.537 -5.341 2.319 1.00 0.00 C ATOM 431 O LEU A 29 29.375 -6.248 2.389 1.00 0.00 O ATOM 432 CB LEU A 29 27.488 -6.000 0.097 1.00 0.00 C ATOM 433 CG LEU A 29 26.226 -6.728 0.661 1.00 0.00 C ATOM 434 CD1 LEU A 29 24.992 -5.805 0.620 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.959 -8.058 -0.086 1.00 0.00 C ATOM 0 H LEU A 29 29.548 -4.800 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 29 27.257 -4.093 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.247 -5.615 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.280 -6.738 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 29 26.424 -6.975 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.127 -6.336 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.182 -4.917 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.793 -5.509 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.074 -8.539 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.796 -7.855 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.819 -8.718 0.028 1.00 0.00 H new ATOM 447 N ILE A 30 28.035 -4.719 3.388 1.00 0.00 N ATOM 448 CA ILE A 30 28.380 -5.082 4.766 1.00 0.00 C ATOM 449 C ILE A 30 27.658 -6.382 5.165 1.00 0.00 C ATOM 450 O ILE A 30 26.427 -6.407 5.333 1.00 0.00 O ATOM 451 CB ILE A 30 28.021 -3.913 5.756 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.773 -2.610 5.354 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.313 -4.289 7.227 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.282 -2.730 5.425 1.00 0.00 C ATOM 0 H ILE A 30 27.374 -3.945 3.323 1.00 0.00 H new ATOM 0 HA ILE A 30 29.455 -5.251 4.825 1.00 0.00 H new ATOM 0 HB ILE A 30 26.948 -3.735 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.487 -2.335 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.451 -1.799 6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.050 -3.453 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.722 -5.162 7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.373 -4.517 7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.736 -1.784 5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.580 -2.974 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.616 -3.518 4.750 1.00 0.00 H new ATOM 466 N VAL A 31 28.443 -7.468 5.262 1.00 0.00 N ATOM 467 CA VAL A 31 27.963 -8.791 5.660 1.00 0.00 C ATOM 468 C VAL A 31 28.378 -9.066 7.112 1.00 0.00 C ATOM 469 O VAL A 31 29.572 -9.175 7.419 1.00 0.00 O ATOM 470 CB VAL A 31 28.519 -9.916 4.709 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.927 -11.302 5.069 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.266 -9.549 3.227 1.00 0.00 C ATOM 0 H VAL A 31 29.443 -7.445 5.062 1.00 0.00 H new ATOM 0 HA VAL A 31 26.876 -8.803 5.580 1.00 0.00 H new ATOM 0 HB VAL A 31 29.597 -9.985 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.331 -12.057 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.191 -11.555 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.842 -11.271 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.657 -10.338 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.195 -9.440 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.768 -8.610 2.994 1.00 0.00 H new ATOM 482 N LYS A 32 27.379 -9.154 7.998 1.00 0.00 N ATOM 483 CA LYS A 32 27.584 -9.492 9.406 1.00 0.00 C ATOM 484 C LYS A 32 27.850 -11.002 9.518 1.00 0.00 C ATOM 485 O LYS A 32 26.992 -11.814 9.155 1.00 0.00 O ATOM 486 CB LYS A 32 26.341 -9.079 10.238 1.00 0.00 C ATOM 487 CG LYS A 32 26.393 -9.467 11.733 1.00 0.00 C ATOM 488 CD LYS A 32 27.508 -8.742 12.522 1.00 0.00 C ATOM 489 CE LYS A 32 27.617 -9.221 13.979 1.00 0.00 C ATOM 490 NZ LYS A 32 26.326 -9.112 14.711 1.00 0.00 N ATOM 0 H LYS A 32 26.402 -8.991 7.754 1.00 0.00 H new ATOM 0 HA LYS A 32 28.443 -8.950 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.216 -7.999 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.457 -9.534 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.430 -9.243 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.542 -10.544 11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.463 -8.900 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.316 -7.669 12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.953 -10.258 13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 32 28.375 -8.633 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.477 -9.333 15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.957 -8.144 14.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.641 -9.783 14.308 1.00 0.00 H new ATOM 504 N VAL A 33 29.065 -11.362 9.952 1.00 0.00 N ATOM 505 CA VAL A 33 29.477 -12.760 10.183 1.00 0.00 C ATOM 506 C VAL A 33 30.053 -12.895 11.610 1.00 0.00 C ATOM 507 O VAL A 33 30.897 -12.090 12.029 1.00 0.00 O ATOM 508 CB VAL A 33 30.523 -13.254 9.101 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.906 -13.241 7.687 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.828 -12.426 9.126 1.00 0.00 C ATOM 0 H VAL A 33 29.801 -10.686 10.156 1.00 0.00 H new ATOM 0 HA VAL A 33 28.599 -13.398 10.085 1.00 0.00 H new ATOM 0 HB VAL A 33 30.782 -14.280 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.646 -13.585 6.964 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.040 -13.902 7.662 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.596 -12.227 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.513 -12.803 8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.599 -11.380 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.293 -12.510 10.108 1.00 0.00 H new ATOM 520 N GLY A 34 29.554 -13.897 12.358 1.00 0.00 N ATOM 521 CA GLY A 34 29.985 -14.153 13.737 1.00 0.00 C ATOM 522 C GLY A 34 29.687 -12.988 14.677 1.00 0.00 C ATOM 523 O GLY A 34 28.546 -12.821 15.120 1.00 0.00 O ATOM 0 H GLY A 34 28.844 -14.547 12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 34 29.487 -15.049 14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.056 -14.356 13.746 1.00 0.00 H new ATOM 527 N THR A 35 30.720 -12.171 14.960 1.00 0.00 N ATOM 528 CA THR A 35 30.630 -10.995 15.853 1.00 0.00 C ATOM 529 C THR A 35 31.135 -9.703 15.164 1.00 0.00 C ATOM 530 O THR A 35 31.201 -8.642 15.802 1.00 0.00 O ATOM 531 CB THR A 35 31.438 -11.264 17.169 1.00 0.00 C ATOM 532 OG1 THR A 35 32.758 -11.735 16.835 1.00 0.00 O ATOM 533 CG2 THR A 35 30.740 -12.296 18.082 1.00 0.00 C ATOM 0 H THR A 35 31.653 -12.309 14.571 1.00 0.00 H new ATOM 0 HA THR A 35 29.579 -10.841 16.096 1.00 0.00 H new ATOM 0 HB THR A 35 31.496 -10.324 17.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.264 -11.902 17.658 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.337 -12.449 18.981 1.00 0.00 H new ATOM 0 HG22 THR A 35 29.753 -11.927 18.361 1.00 0.00 H new ATOM 0 HG23 THR A 35 30.636 -13.241 17.550 1.00 0.00 H new ATOM 541 N GLU A 36 31.475 -9.785 13.856 1.00 0.00 N ATOM 542 CA GLU A 36 32.103 -8.664 13.107 1.00 0.00 C ATOM 543 C GLU A 36 31.446 -8.444 11.732 1.00 0.00 C ATOM 544 O GLU A 36 30.634 -9.251 11.276 1.00 0.00 O ATOM 545 CB GLU A 36 33.631 -8.913 12.948 1.00 0.00 C ATOM 546 CG GLU A 36 34.413 -8.883 14.273 1.00 0.00 C ATOM 547 CD GLU A 36 35.913 -9.112 14.083 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.626 -8.163 13.679 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.391 -10.239 14.328 1.00 0.00 O ATOM 0 H GLU A 36 31.325 -10.621 13.292 1.00 0.00 H new ATOM 0 HA GLU A 36 31.946 -7.755 13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.783 -9.881 12.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.043 -8.159 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.256 -7.921 14.760 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.016 -9.647 14.941 1.00 0.00 H new ATOM 556 N PHE A 37 31.814 -7.316 11.094 1.00 0.00 N ATOM 557 CA PHE A 37 31.287 -6.891 9.785 1.00 0.00 C ATOM 558 C PHE A 37 32.412 -6.949 8.736 1.00 0.00 C ATOM 559 O PHE A 37 33.473 -6.346 8.929 1.00 0.00 O ATOM 560 CB PHE A 37 30.730 -5.445 9.873 1.00 0.00 C ATOM 561 CG PHE A 37 29.598 -5.255 10.886 1.00 0.00 C ATOM 562 CD1 PHE A 37 28.265 -5.461 10.525 1.00 0.00 C ATOM 563 CD2 PHE A 37 29.865 -4.848 12.195 1.00 0.00 C ATOM 564 CE1 PHE A 37 27.241 -5.265 11.433 1.00 0.00 C ATOM 565 CE2 PHE A 37 28.837 -4.659 13.100 1.00 0.00 C ATOM 566 CZ PHE A 37 27.528 -4.865 12.718 1.00 0.00 C ATOM 0 H PHE A 37 32.497 -6.665 11.481 1.00 0.00 H new ATOM 0 HA PHE A 37 30.479 -7.562 9.493 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.547 -4.771 10.131 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.371 -5.148 8.888 1.00 0.00 H new ATOM 0 HD1 PHE A 37 28.030 -5.779 9.520 1.00 0.00 H new ATOM 0 HD2 PHE A 37 30.886 -4.679 12.504 1.00 0.00 H new ATOM 0 HE1 PHE A 37 26.216 -5.426 11.134 1.00 0.00 H new ATOM 0 HE2 PHE A 37 29.060 -4.349 14.110 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.728 -4.712 13.427 1.00 0.00 H new ATOM 576 N LEU A 38 32.181 -7.704 7.646 1.00 0.00 N ATOM 577 CA LEU A 38 33.101 -7.794 6.495 1.00 0.00 C ATOM 578 C LEU A 38 32.493 -7.028 5.306 1.00 0.00 C ATOM 579 O LEU A 38 31.420 -7.394 4.804 1.00 0.00 O ATOM 580 CB LEU A 38 33.399 -9.287 6.119 1.00 0.00 C ATOM 581 CG LEU A 38 34.582 -9.976 6.885 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.381 -9.959 8.417 1.00 0.00 C ATOM 583 CD2 LEU A 38 34.828 -11.414 6.363 1.00 0.00 C ATOM 0 H LEU A 38 31.342 -8.275 7.538 1.00 0.00 H new ATOM 0 HA LEU A 38 34.055 -7.340 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.494 -9.870 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.610 -9.335 5.051 1.00 0.00 H new ATOM 0 HG LEU A 38 35.476 -9.387 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.227 -10.448 8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.311 -8.928 8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.463 -10.489 8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.654 -11.865 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.928 -12.012 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.076 -11.379 5.302 1.00 0.00 H new ATOM 595 N ALA A 39 33.178 -5.949 4.890 1.00 0.00 N ATOM 596 CA ALA A 39 32.785 -5.126 3.739 1.00 0.00 C ATOM 597 C ALA A 39 33.205 -5.822 2.437 1.00 0.00 C ATOM 598 O ALA A 39 34.348 -5.683 1.993 1.00 0.00 O ATOM 599 CB ALA A 39 33.433 -3.727 3.859 1.00 0.00 C ATOM 0 H ALA A 39 34.028 -5.623 5.350 1.00 0.00 H new ATOM 0 HA ALA A 39 31.702 -5.003 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 39 33.141 -3.116 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 39 33.097 -3.248 4.779 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.518 -3.829 3.878 1.00 0.00 H new ATOM 605 N VAL A 40 32.280 -6.599 1.848 1.00 0.00 N ATOM 606 CA VAL A 40 32.550 -7.389 0.630 1.00 0.00 C ATOM 607 C VAL A 40 32.244 -6.525 -0.624 1.00 0.00 C ATOM 608 O VAL A 40 31.220 -5.843 -0.656 1.00 0.00 O ATOM 609 CB VAL A 40 31.719 -8.750 0.620 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.834 -9.479 1.978 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.231 -8.560 0.251 1.00 0.00 C ATOM 0 H VAL A 40 31.328 -6.698 2.199 1.00 0.00 H new ATOM 0 HA VAL A 40 33.604 -7.667 0.617 1.00 0.00 H new ATOM 0 HB VAL A 40 32.165 -9.362 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.258 -10.404 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.880 -9.710 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.445 -8.838 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.727 -9.526 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.759 -7.895 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.156 -8.125 -0.745 1.00 0.00 H new ATOM 621 N PRO A 41 33.132 -6.505 -1.668 1.00 0.00 N ATOM 622 CA PRO A 41 32.885 -5.715 -2.907 1.00 0.00 C ATOM 623 C PRO A 41 31.798 -6.372 -3.781 1.00 0.00 C ATOM 624 O PRO A 41 31.622 -7.589 -3.720 1.00 0.00 O ATOM 625 CB PRO A 41 34.269 -5.734 -3.600 1.00 0.00 C ATOM 626 CG PRO A 41 34.865 -7.043 -3.176 1.00 0.00 C ATOM 627 CD PRO A 41 34.423 -7.239 -1.736 1.00 0.00 C ATOM 0 HA PRO A 41 32.516 -4.707 -2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.174 -5.670 -4.684 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.886 -4.893 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.514 -7.858 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 41 35.952 -7.024 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.298 -8.295 -1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.152 -6.835 -1.034 1.00 0.00 H new ATOM 635 N LYS A 42 31.073 -5.578 -4.597 1.00 0.00 N ATOM 636 CA LYS A 42 29.998 -6.122 -5.471 1.00 0.00 C ATOM 637 C LYS A 42 30.552 -7.058 -6.560 1.00 0.00 C ATOM 638 O LYS A 42 29.826 -7.923 -7.052 1.00 0.00 O ATOM 639 CB LYS A 42 29.112 -5.012 -6.111 1.00 0.00 C ATOM 640 CG LYS A 42 28.264 -4.182 -5.116 1.00 0.00 C ATOM 641 CD LYS A 42 27.447 -5.029 -4.106 1.00 0.00 C ATOM 642 CE LYS A 42 26.427 -5.982 -4.762 1.00 0.00 C ATOM 643 NZ LYS A 42 25.411 -5.255 -5.564 1.00 0.00 N ATOM 0 H LYS A 42 31.206 -4.570 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 42 29.359 -6.707 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 42 29.757 -4.332 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.441 -5.478 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 42 28.925 -3.516 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 42 27.578 -3.551 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.137 -5.615 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 42 26.918 -4.358 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.954 -6.689 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.927 -6.564 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.738 -5.936 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 24.900 -4.586 -4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.882 -4.733 -6.331 1.00 0.00 H new ATOM 657 N LYS A 43 31.837 -6.883 -6.917 1.00 0.00 N ATOM 658 CA LYS A 43 32.539 -7.793 -7.848 1.00 0.00 C ATOM 659 C LYS A 43 32.712 -9.205 -7.234 1.00 0.00 C ATOM 660 O LYS A 43 32.816 -10.198 -7.973 1.00 0.00 O ATOM 661 CB LYS A 43 33.904 -7.190 -8.269 1.00 0.00 C ATOM 662 CG LYS A 43 34.851 -6.832 -7.102 1.00 0.00 C ATOM 663 CD LYS A 43 36.223 -6.291 -7.579 1.00 0.00 C ATOM 664 CE LYS A 43 36.117 -4.999 -8.420 1.00 0.00 C ATOM 665 NZ LYS A 43 35.533 -3.860 -7.656 1.00 0.00 N ATOM 0 H LYS A 43 32.415 -6.116 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 43 31.926 -7.903 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.411 -7.900 -8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.720 -6.290 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.372 -6.085 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.010 -7.717 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.851 -6.098 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.722 -7.059 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.109 -4.721 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.504 -5.193 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 35.485 -3.020 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 34.576 -4.111 -7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.130 -3.653 -6.830 1.00 0.00 H new ATOM 679 N SER A 44 32.735 -9.281 -5.883 1.00 0.00 N ATOM 680 CA SER A 44 32.740 -10.567 -5.160 1.00 0.00 C ATOM 681 C SER A 44 31.382 -11.262 -5.333 1.00 0.00 C ATOM 682 O SER A 44 31.332 -12.484 -5.539 1.00 0.00 O ATOM 683 CB SER A 44 33.068 -10.372 -3.661 1.00 0.00 C ATOM 684 OG SER A 44 33.138 -11.611 -2.963 1.00 0.00 O ATOM 0 H SER A 44 32.750 -8.463 -5.274 1.00 0.00 H new ATOM 0 HA SER A 44 33.522 -11.197 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.018 -9.847 -3.563 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.307 -9.741 -3.203 1.00 0.00 H new ATOM 0 HG SER A 44 33.951 -12.090 -3.228 1.00 0.00 H new ATOM 690 N ILE A 45 30.279 -10.470 -5.257 1.00 0.00 N ATOM 691 CA ILE A 45 28.923 -10.987 -5.499 1.00 0.00 C ATOM 692 C ILE A 45 28.815 -11.390 -6.982 1.00 0.00 C ATOM 693 O ILE A 45 28.914 -10.547 -7.885 1.00 0.00 O ATOM 694 CB ILE A 45 27.761 -9.967 -5.128 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.705 -9.626 -3.596 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.384 -10.522 -5.587 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.827 -8.775 -3.049 1.00 0.00 C ATOM 0 H ILE A 45 30.312 -9.476 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 45 28.782 -11.842 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 45 27.987 -9.041 -5.657 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.763 -9.117 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.686 -10.563 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.600 -9.812 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.393 -10.671 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.192 -11.474 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.673 -8.611 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.778 -9.284 -3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.841 -7.815 -3.565 1.00 0.00 H new ATOM 709 N LYS A 46 28.643 -12.693 -7.199 1.00 0.00 N ATOM 710 CA LYS A 46 28.529 -13.289 -8.524 1.00 0.00 C ATOM 711 C LYS A 46 27.122 -13.077 -9.087 1.00 0.00 C ATOM 712 O LYS A 46 26.958 -12.597 -10.218 1.00 0.00 O ATOM 713 CB LYS A 46 28.888 -14.798 -8.443 1.00 0.00 C ATOM 714 CG LYS A 46 30.323 -15.071 -7.933 1.00 0.00 C ATOM 715 CD LYS A 46 31.392 -14.294 -8.743 1.00 0.00 C ATOM 716 CE LYS A 46 32.820 -14.539 -8.240 1.00 0.00 C ATOM 717 NZ LYS A 46 33.815 -13.719 -8.965 1.00 0.00 N ATOM 0 H LYS A 46 28.578 -13.375 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 46 29.228 -12.803 -9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.177 -15.296 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.773 -15.243 -9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.392 -14.791 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.530 -16.139 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.327 -14.584 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.173 -13.227 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.872 -14.313 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 46 33.068 -15.594 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.766 -13.917 -8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.785 -13.952 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.595 -12.711 -8.835 1.00 0.00 H new ATOM 731 N SER A 47 26.111 -13.390 -8.265 1.00 0.00 N ATOM 732 CA SER A 47 24.713 -13.306 -8.672 1.00 0.00 C ATOM 733 C SER A 47 23.805 -13.195 -7.439 1.00 0.00 C ATOM 734 O SER A 47 24.050 -13.842 -6.407 1.00 0.00 O ATOM 735 CB SER A 47 24.338 -14.546 -9.517 1.00 0.00 C ATOM 736 OG SER A 47 22.998 -14.486 -9.986 1.00 0.00 O ATOM 0 H SER A 47 26.244 -13.707 -7.305 1.00 0.00 H new ATOM 0 HA SER A 47 24.571 -12.413 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 47 25.016 -14.624 -10.367 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.472 -15.447 -8.918 1.00 0.00 H new ATOM 0 HG SER A 47 22.440 -15.097 -9.461 1.00 0.00 H new ATOM 742 N VAL A 48 22.779 -12.335 -7.558 1.00 0.00 N ATOM 743 CA VAL A 48 21.665 -12.268 -6.602 1.00 0.00 C ATOM 744 C VAL A 48 20.701 -13.441 -6.894 1.00 0.00 C ATOM 745 O VAL A 48 20.394 -13.728 -8.062 1.00 0.00 O ATOM 746 CB VAL A 48 20.912 -10.874 -6.659 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.433 -10.536 -8.095 1.00 0.00 C ATOM 748 CG2 VAL A 48 19.735 -10.813 -5.635 1.00 0.00 C ATOM 0 H VAL A 48 22.701 -11.665 -8.323 1.00 0.00 H new ATOM 0 HA VAL A 48 22.059 -12.355 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 48 21.634 -10.110 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 48 19.922 -9.573 -8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.293 -10.488 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.747 -11.309 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.243 -9.843 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.016 -11.601 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.123 -10.953 -4.626 1.00 0.00 H new ATOM 758 N GLU A 49 20.293 -14.150 -5.834 1.00 0.00 N ATOM 759 CA GLU A 49 19.383 -15.317 -5.913 1.00 0.00 C ATOM 760 C GLU A 49 18.069 -15.012 -5.173 1.00 0.00 C ATOM 761 O GLU A 49 17.922 -13.942 -4.559 1.00 0.00 O ATOM 762 CB GLU A 49 20.059 -16.556 -5.263 1.00 0.00 C ATOM 763 CG GLU A 49 21.474 -16.873 -5.771 1.00 0.00 C ATOM 764 CD GLU A 49 21.518 -17.300 -7.240 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.157 -18.457 -7.536 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.913 -16.500 -8.105 1.00 0.00 O ATOM 0 H GLU A 49 20.585 -13.932 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 49 19.168 -15.524 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.104 -16.401 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.426 -17.427 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.104 -15.993 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.901 -17.666 -5.158 1.00 0.00 H new ATOM 773 N ASP A 50 17.138 -15.979 -5.217 1.00 0.00 N ATOM 774 CA ASP A 50 15.874 -15.934 -4.467 1.00 0.00 C ATOM 775 C ASP A 50 16.148 -15.953 -2.942 1.00 0.00 C ATOM 776 O ASP A 50 16.344 -17.011 -2.327 1.00 0.00 O ATOM 777 CB ASP A 50 14.926 -17.094 -4.924 1.00 0.00 C ATOM 778 CG ASP A 50 15.540 -18.511 -4.814 1.00 0.00 C ATOM 779 OD1 ASP A 50 16.562 -18.782 -5.491 1.00 0.00 O ATOM 780 OD2 ASP A 50 15.011 -19.361 -4.061 1.00 0.00 O ATOM 0 H ASP A 50 17.244 -16.823 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 50 15.359 -14.998 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.016 -17.059 -4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.633 -16.919 -5.959 1.00 0.00 H new ATOM 785 N GLY A 51 16.230 -14.736 -2.364 1.00 0.00 N ATOM 786 CA GLY A 51 16.483 -14.539 -0.933 1.00 0.00 C ATOM 787 C GLY A 51 17.951 -14.698 -0.527 1.00 0.00 C ATOM 788 O GLY A 51 18.277 -14.639 0.671 1.00 0.00 O ATOM 0 H GLY A 51 16.121 -13.865 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.145 -13.542 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.882 -15.252 -0.368 1.00 0.00 H new ATOM 792 N ARG A 52 18.848 -14.877 -1.520 1.00 0.00 N ATOM 793 CA ARG A 52 20.278 -15.167 -1.274 1.00 0.00 C ATOM 794 C ARG A 52 21.171 -14.188 -2.046 1.00 0.00 C ATOM 795 O ARG A 52 20.718 -13.524 -2.984 1.00 0.00 O ATOM 796 CB ARG A 52 20.619 -16.625 -1.691 1.00 0.00 C ATOM 797 CG ARG A 52 19.685 -17.707 -1.114 1.00 0.00 C ATOM 798 CD ARG A 52 20.017 -19.120 -1.624 1.00 0.00 C ATOM 799 NE ARG A 52 19.102 -20.127 -1.061 1.00 0.00 N ATOM 800 CZ ARG A 52 17.940 -20.526 -1.611 1.00 0.00 C ATOM 801 NH1 ARG A 52 17.537 -20.036 -2.782 1.00 0.00 N ATOM 802 NH2 ARG A 52 17.192 -21.412 -0.970 1.00 0.00 N ATOM 0 H ARG A 52 18.604 -14.825 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 52 20.465 -15.049 -0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.596 -16.690 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.640 -16.846 -1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.751 -17.694 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.654 -17.466 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.955 -19.139 -2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 52 21.044 -19.372 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 52 19.372 -20.560 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.111 -19.350 -3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.654 -20.346 -3.188 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.499 -21.783 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.309 -21.723 -1.376 1.00 0.00 H new ATOM 816 N ILE A 53 22.442 -14.113 -1.618 1.00 0.00 N ATOM 817 CA ILE A 53 23.498 -13.330 -2.279 1.00 0.00 C ATOM 818 C ILE A 53 24.751 -14.222 -2.395 1.00 0.00 C ATOM 819 O ILE A 53 25.445 -14.442 -1.404 1.00 0.00 O ATOM 820 CB ILE A 53 23.831 -12.012 -1.455 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.622 -11.016 -1.422 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.095 -11.309 -1.992 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.239 -10.433 -2.779 1.00 0.00 C ATOM 0 H ILE A 53 22.770 -14.605 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 53 23.161 -13.018 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 53 24.027 -12.330 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.756 -11.531 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.862 -10.197 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.290 -10.412 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.947 -11.985 -1.917 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.942 -11.032 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.394 -9.756 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.086 -9.886 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.963 -11.241 -3.457 1.00 0.00 H new ATOM 835 N VAL A 54 25.026 -14.756 -3.600 1.00 0.00 N ATOM 836 CA VAL A 54 26.189 -15.633 -3.828 1.00 0.00 C ATOM 837 C VAL A 54 27.442 -14.785 -4.075 1.00 0.00 C ATOM 838 O VAL A 54 27.467 -13.961 -4.985 1.00 0.00 O ATOM 839 CB VAL A 54 25.953 -16.630 -5.030 1.00 0.00 C ATOM 840 CG1 VAL A 54 27.249 -17.400 -5.415 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.807 -17.618 -4.698 1.00 0.00 C ATOM 0 H VAL A 54 24.457 -14.595 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 54 26.330 -16.237 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 54 25.664 -16.034 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 54 27.039 -18.074 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.020 -16.689 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.597 -17.978 -4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.658 -18.298 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 54 25.067 -18.192 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.888 -17.061 -4.515 1.00 0.00 H new ATOM 851 N ILE A 55 28.455 -14.974 -3.214 1.00 0.00 N ATOM 852 CA ILE A 55 29.803 -14.422 -3.400 1.00 0.00 C ATOM 853 C ILE A 55 30.777 -15.568 -3.741 1.00 0.00 C ATOM 854 O ILE A 55 30.620 -16.692 -3.251 1.00 0.00 O ATOM 855 CB ILE A 55 30.311 -13.636 -2.124 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.390 -14.557 -0.862 1.00 0.00 C ATOM 857 CG2 ILE A 55 29.424 -12.400 -1.844 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.977 -13.899 0.379 1.00 0.00 C ATOM 0 H ILE A 55 28.358 -15.522 -2.359 1.00 0.00 H new ATOM 0 HA ILE A 55 29.763 -13.705 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 55 31.322 -13.293 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.387 -14.912 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.989 -15.434 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.795 -11.878 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 55 29.454 -11.729 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.397 -12.721 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.990 -14.616 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.995 -13.569 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.367 -13.039 0.658 1.00 0.00 H new ATOM 870 N GLY A 56 31.767 -15.276 -4.596 1.00 0.00 N ATOM 871 CA GLY A 56 32.747 -16.276 -5.031 1.00 0.00 C ATOM 872 C GLY A 56 33.972 -16.300 -4.140 1.00 0.00 C ATOM 873 O GLY A 56 34.330 -17.350 -3.599 1.00 0.00 O ATOM 0 H GLY A 56 31.909 -14.350 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.282 -17.262 -5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.049 -16.064 -6.057 1.00 0.00 H new ATOM 877 N GLU A 57 34.609 -15.116 -3.988 1.00 0.00 N ATOM 878 CA GLU A 57 35.833 -14.933 -3.171 1.00 0.00 C ATOM 879 C GLU A 57 36.211 -13.445 -3.091 1.00 0.00 C ATOM 880 O GLU A 57 35.780 -12.643 -3.925 1.00 0.00 O ATOM 881 CB GLU A 57 37.011 -15.767 -3.741 1.00 0.00 C ATOM 882 CG GLU A 57 37.377 -15.449 -5.200 1.00 0.00 C ATOM 883 CD GLU A 57 38.303 -16.504 -5.816 1.00 0.00 C ATOM 884 OE1 GLU A 57 37.789 -17.513 -6.352 1.00 0.00 O ATOM 885 OE2 GLU A 57 39.541 -16.352 -5.743 1.00 0.00 O ATOM 0 H GLU A 57 34.287 -14.255 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 57 35.624 -15.290 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.889 -15.604 -3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 57 36.759 -16.825 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.465 -15.380 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.862 -14.474 -5.245 1.00 0.00 H new ATOM 892 N PHE A 58 37.007 -13.090 -2.068 1.00 0.00 N ATOM 893 CA PHE A 58 37.436 -11.696 -1.813 1.00 0.00 C ATOM 894 C PHE A 58 38.512 -11.648 -0.710 1.00 0.00 C ATOM 895 O PHE A 58 38.824 -12.668 -0.079 1.00 0.00 O ATOM 896 CB PHE A 58 36.217 -10.799 -1.418 1.00 0.00 C ATOM 897 CG PHE A 58 35.569 -11.164 -0.080 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.874 -12.365 0.080 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.680 -10.321 1.019 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.321 -12.705 1.296 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.118 -10.663 2.230 1.00 0.00 C ATOM 902 CZ PHE A 58 34.445 -11.853 2.369 1.00 0.00 C ATOM 0 H PHE A 58 37.374 -13.759 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 58 37.866 -11.306 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.544 -9.760 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.463 -10.866 -2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.769 -13.036 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.213 -9.387 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.791 -13.639 1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.207 -9.993 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.013 -12.120 3.322 1.00 0.00 H new ATOM 912 N ASP A 59 39.062 -10.443 -0.482 1.00 0.00 N ATOM 913 CA ASP A 59 39.986 -10.170 0.628 1.00 0.00 C ATOM 914 C ASP A 59 39.196 -10.106 1.951 1.00 0.00 C ATOM 915 O ASP A 59 38.728 -9.054 2.351 1.00 0.00 O ATOM 916 CB ASP A 59 40.801 -8.864 0.349 1.00 0.00 C ATOM 917 CG ASP A 59 39.937 -7.636 -0.030 1.00 0.00 C ATOM 918 OD1 ASP A 59 39.556 -7.520 -1.207 1.00 0.00 O ATOM 919 OD2 ASP A 59 39.625 -6.792 0.843 1.00 0.00 O ATOM 0 H ASP A 59 38.876 -9.628 -1.067 1.00 0.00 H new ATOM 0 HA ASP A 59 40.712 -10.978 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.387 -8.620 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.508 -9.058 -0.458 1.00 0.00 H new ATOM 924 N GLU A 60 38.988 -11.276 2.587 1.00 0.00 N ATOM 925 CA GLU A 60 38.145 -11.404 3.806 1.00 0.00 C ATOM 926 C GLU A 60 38.802 -10.777 5.051 1.00 0.00 C ATOM 927 O GLU A 60 38.114 -10.144 5.869 1.00 0.00 O ATOM 928 CB GLU A 60 37.743 -12.888 4.039 1.00 0.00 C ATOM 929 CG GLU A 60 38.916 -13.881 4.109 1.00 0.00 C ATOM 930 CD GLU A 60 38.467 -15.349 4.192 1.00 0.00 C ATOM 931 OE1 GLU A 60 38.261 -15.982 3.135 1.00 0.00 O ATOM 932 OE2 GLU A 60 38.318 -15.883 5.310 1.00 0.00 O ATOM 0 H GLU A 60 39.395 -12.158 2.277 1.00 0.00 H new ATOM 0 HA GLU A 60 37.234 -10.831 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.177 -12.953 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 60 37.074 -13.197 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 60 39.546 -13.750 3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 39.530 -13.646 4.979 1.00 0.00 H new ATOM 939 N GLU A 61 40.127 -10.948 5.170 1.00 0.00 N ATOM 940 CA GLU A 61 40.931 -10.363 6.267 1.00 0.00 C ATOM 941 C GLU A 61 40.937 -8.820 6.181 1.00 0.00 C ATOM 942 O GLU A 61 40.860 -8.118 7.201 1.00 0.00 O ATOM 943 CB GLU A 61 42.385 -10.912 6.222 1.00 0.00 C ATOM 944 CG GLU A 61 43.108 -10.703 4.878 1.00 0.00 C ATOM 945 CD GLU A 61 44.609 -10.994 4.964 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.020 -12.157 4.764 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.386 -10.061 5.263 1.00 0.00 O ATOM 0 H GLU A 61 40.678 -11.496 4.509 1.00 0.00 H new ATOM 0 HA GLU A 61 40.476 -10.650 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 61 42.965 -10.432 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 61 42.364 -11.978 6.446 1.00 0.00 H new ATOM 0 HG2 GLU A 61 42.659 -11.350 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 61 42.960 -9.675 4.546 1.00 0.00 H new ATOM 954 N GLU A 62 40.999 -8.309 4.939 1.00 0.00 N ATOM 955 CA GLU A 62 41.051 -6.872 4.664 1.00 0.00 C ATOM 956 C GLU A 62 39.646 -6.252 4.731 1.00 0.00 C ATOM 957 O GLU A 62 39.494 -5.113 5.140 1.00 0.00 O ATOM 958 CB GLU A 62 41.716 -6.614 3.306 1.00 0.00 C ATOM 959 CG GLU A 62 43.171 -7.116 3.216 1.00 0.00 C ATOM 960 CD GLU A 62 43.781 -6.954 1.814 1.00 0.00 C ATOM 961 OE1 GLU A 62 44.002 -5.800 1.383 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.053 -7.975 1.143 1.00 0.00 O ATOM 0 H GLU A 62 41.014 -8.887 4.099 1.00 0.00 H new ATOM 0 HA GLU A 62 41.657 -6.391 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 62 41.127 -7.097 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.698 -5.543 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.782 -6.572 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.204 -8.168 3.500 1.00 0.00 H new ATOM 969 N ALA A 63 38.624 -7.035 4.342 1.00 0.00 N ATOM 970 CA ALA A 63 37.204 -6.635 4.460 1.00 0.00 C ATOM 971 C ALA A 63 36.793 -6.527 5.938 1.00 0.00 C ATOM 972 O ALA A 63 35.866 -5.805 6.277 1.00 0.00 O ATOM 973 CB ALA A 63 36.297 -7.635 3.728 1.00 0.00 C ATOM 0 H ALA A 63 38.755 -7.962 3.937 1.00 0.00 H new ATOM 0 HA ALA A 63 37.087 -5.656 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.257 -7.323 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.568 -7.667 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.421 -8.626 4.164 1.00 0.00 H new ATOM 979 N ARG A 64 37.494 -7.285 6.787 1.00 0.00 N ATOM 980 CA ARG A 64 37.303 -7.288 8.243 1.00 0.00 C ATOM 981 C ARG A 64 37.854 -5.993 8.881 1.00 0.00 C ATOM 982 O ARG A 64 37.147 -5.317 9.638 1.00 0.00 O ATOM 983 CB ARG A 64 38.021 -8.520 8.829 1.00 0.00 C ATOM 984 CG ARG A 64 37.900 -8.689 10.354 1.00 0.00 C ATOM 985 CD ARG A 64 38.877 -9.740 10.889 1.00 0.00 C ATOM 986 NE ARG A 64 38.724 -9.950 12.333 1.00 0.00 N ATOM 987 CZ ARG A 64 39.633 -10.505 13.140 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.824 -10.881 12.686 1.00 0.00 N ATOM 989 NH2 ARG A 64 39.342 -10.679 14.414 1.00 0.00 N ATOM 0 H ARG A 64 38.224 -7.926 6.477 1.00 0.00 H new ATOM 0 HA ARG A 64 36.237 -7.334 8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.624 -9.414 8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.078 -8.461 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 64 38.091 -7.733 10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 64 36.880 -8.978 10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 64 38.716 -10.683 10.367 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.899 -9.427 10.675 1.00 0.00 H new ATOM 0 HE ARG A 64 37.848 -9.646 12.758 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.060 -10.748 11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 64 41.502 -11.303 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.432 -10.391 14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.027 -11.102 15.041 1.00 0.00 H new ATOM 1003 N GLU A 65 39.125 -5.662 8.564 1.00 0.00 N ATOM 1004 CA GLU A 65 39.808 -4.461 9.116 1.00 0.00 C ATOM 1005 C GLU A 65 39.199 -3.169 8.535 1.00 0.00 C ATOM 1006 O GLU A 65 39.115 -2.140 9.210 1.00 0.00 O ATOM 1007 CB GLU A 65 41.341 -4.506 8.852 1.00 0.00 C ATOM 1008 CG GLU A 65 41.739 -4.581 7.369 1.00 0.00 C ATOM 1009 CD GLU A 65 43.259 -4.642 7.129 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.917 -3.580 7.123 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.804 -5.752 6.959 1.00 0.00 O ATOM 0 H GLU A 65 39.704 -6.209 7.927 1.00 0.00 H new ATOM 0 HA GLU A 65 39.654 -4.463 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.797 -3.619 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.759 -5.369 9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.276 -5.461 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.335 -3.712 6.851 1.00 0.00 H new ATOM 1018 N LEU A 66 38.803 -3.228 7.258 1.00 0.00 N ATOM 1019 CA LEU A 66 38.122 -2.121 6.571 1.00 0.00 C ATOM 1020 C LEU A 66 36.599 -2.172 6.903 1.00 0.00 C ATOM 1021 O LEU A 66 35.867 -1.206 6.676 1.00 0.00 O ATOM 1022 CB LEU A 66 38.492 -2.139 5.034 1.00 0.00 C ATOM 1023 CG LEU A 66 37.406 -2.582 3.991 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.503 -1.396 3.591 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.050 -3.229 2.746 1.00 0.00 C ATOM 0 H LEU A 66 38.946 -4.048 6.668 1.00 0.00 H new ATOM 0 HA LEU A 66 38.463 -1.149 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 66 38.817 -1.135 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 66 39.353 -2.797 4.911 1.00 0.00 H new ATOM 0 HG LEU A 66 36.781 -3.336 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.760 -1.732 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.998 -1.008 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 66 37.112 -0.609 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.270 -3.524 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.717 -2.512 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 38.619 -4.109 3.046 1.00 0.00 H new ATOM 1037 N GLY A 67 36.145 -3.306 7.468 1.00 0.00 N ATOM 1038 CA GLY A 67 34.828 -3.393 8.118 1.00 0.00 C ATOM 1039 C GLY A 67 34.814 -2.654 9.455 1.00 0.00 C ATOM 1040 O GLY A 67 33.768 -2.180 9.911 1.00 0.00 O ATOM 0 H GLY A 67 36.675 -4.177 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 67 34.068 -2.972 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.568 -4.440 8.277 1.00 0.00 H new ATOM 1044 N ARG A 68 36.007 -2.569 10.088 1.00 0.00 N ATOM 1045 CA ARG A 68 36.266 -1.680 11.234 1.00 0.00 C ATOM 1046 C ARG A 68 36.267 -0.213 10.739 1.00 0.00 C ATOM 1047 O ARG A 68 35.788 0.658 11.450 1.00 0.00 O ATOM 1048 CB ARG A 68 37.611 -2.095 11.951 1.00 0.00 C ATOM 1049 CG ARG A 68 38.523 -0.940 12.454 1.00 0.00 C ATOM 1050 CD ARG A 68 37.978 -0.173 13.680 1.00 0.00 C ATOM 1051 NE ARG A 68 38.762 1.051 13.953 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.754 1.165 14.851 1.00 0.00 C ATOM 1053 NH1 ARG A 68 40.141 0.121 15.580 1.00 0.00 N ATOM 1054 NH2 ARG A 68 40.362 2.324 15.000 1.00 0.00 N ATOM 0 H ARG A 68 36.819 -3.121 9.813 1.00 0.00 H new ATOM 0 HA ARG A 68 35.479 -1.775 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.361 -2.726 12.804 1.00 0.00 H new ATOM 0 HB3 ARG A 68 38.189 -2.708 11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 68 39.501 -1.351 12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.674 -0.233 11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 68 36.935 0.094 13.508 1.00 0.00 H new ATOM 0 HD3 ARG A 68 38.001 -0.822 14.555 1.00 0.00 H new ATOM 0 HE ARG A 68 38.528 1.883 13.411 1.00 0.00 H new ATOM 0 HH11 ARG A 68 39.682 -0.782 15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 68 40.896 0.224 16.258 1.00 0.00 H new ATOM 0 HH21 ARG A 68 40.078 3.125 14.436 1.00 0.00 H new ATOM 0 HH22 ARG A 68 41.117 2.420 15.680 1.00 0.00 H new ATOM 1068 N LYS A 69 36.809 0.039 9.520 1.00 0.00 N ATOM 1069 CA LYS A 69 36.744 1.378 8.865 1.00 0.00 C ATOM 1070 C LYS A 69 35.278 1.817 8.654 1.00 0.00 C ATOM 1071 O LYS A 69 34.960 3.005 8.766 1.00 0.00 O ATOM 1072 CB LYS A 69 37.500 1.384 7.505 1.00 0.00 C ATOM 1073 CG LYS A 69 37.424 2.718 6.709 1.00 0.00 C ATOM 1074 CD LYS A 69 38.123 3.885 7.441 1.00 0.00 C ATOM 1075 CE LYS A 69 39.637 3.655 7.586 1.00 0.00 C ATOM 1076 NZ LYS A 69 40.343 3.769 6.289 1.00 0.00 N ATOM 0 H LYS A 69 37.297 -0.666 8.968 1.00 0.00 H new ATOM 0 HA LYS A 69 37.233 2.088 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.548 1.149 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 69 37.099 0.585 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 69 37.884 2.580 5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 69 36.379 2.975 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.949 4.812 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.680 4.010 8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 69 40.048 4.381 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.814 2.666 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 41.366 3.658 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 40.005 3.027 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 40.154 4.703 5.872 1.00 0.00 H new ATOM 1090 N TRP A 70 34.401 0.845 8.332 1.00 0.00 N ATOM 1091 CA TRP A 70 32.952 1.086 8.246 1.00 0.00 C ATOM 1092 C TRP A 70 32.422 1.550 9.617 1.00 0.00 C ATOM 1093 O TRP A 70 31.828 2.615 9.719 1.00 0.00 O ATOM 1094 CB TRP A 70 32.202 -0.177 7.764 1.00 0.00 C ATOM 1095 CG TRP A 70 30.696 0.000 7.716 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.989 0.752 6.822 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.722 -0.573 8.606 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.650 0.656 7.084 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.460 -0.141 8.175 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.796 -1.414 9.721 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.281 -0.512 8.814 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.623 -1.781 10.355 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.379 -1.332 9.899 1.00 0.00 C ATOM 0 H TRP A 70 34.675 -0.116 8.127 1.00 0.00 H new ATOM 0 HA TRP A 70 32.772 1.871 7.511 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.561 -0.447 6.771 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.442 -1.009 8.427 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.423 1.337 6.025 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.910 1.109 6.548 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.750 -1.770 10.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.321 -0.163 8.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.668 -2.427 11.219 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.481 -1.640 10.415 1.00 0.00 H new ATOM 1114 N LEU A 71 32.697 0.752 10.671 1.00 0.00 N ATOM 1115 CA LEU A 71 32.338 1.093 12.075 1.00 0.00 C ATOM 1116 C LEU A 71 32.908 2.473 12.486 1.00 0.00 C ATOM 1117 O LEU A 71 32.264 3.253 13.187 1.00 0.00 O ATOM 1118 CB LEU A 71 32.854 -0.023 13.034 1.00 0.00 C ATOM 1119 CG LEU A 71 32.125 -1.403 12.918 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.858 -2.502 13.718 1.00 0.00 C ATOM 1121 CD2 LEU A 71 30.646 -1.282 13.361 1.00 0.00 C ATOM 0 H LEU A 71 33.173 -0.146 10.579 1.00 0.00 H new ATOM 0 HA LEU A 71 31.252 1.155 12.147 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.917 -0.176 12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.760 0.332 14.060 1.00 0.00 H new ATOM 0 HG LEU A 71 32.142 -1.700 11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.323 -3.446 13.614 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.872 -2.616 13.335 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.897 -2.221 14.770 1.00 0.00 H new ATOM 0 HD21 LEU A 71 30.159 -2.253 13.272 1.00 0.00 H new ATOM 0 HD22 LEU A 71 30.603 -0.948 14.398 1.00 0.00 H new ATOM 0 HD23 LEU A 71 30.134 -0.560 12.725 1.00 0.00 H new ATOM 1133 N GLU A 72 34.089 2.775 11.967 1.00 0.00 N ATOM 1134 CA GLU A 72 34.838 3.997 12.277 1.00 0.00 C ATOM 1135 C GLU A 72 34.179 5.221 11.600 1.00 0.00 C ATOM 1136 O GLU A 72 34.143 6.312 12.181 1.00 0.00 O ATOM 1137 CB GLU A 72 36.297 3.778 11.814 1.00 0.00 C ATOM 1138 CG GLU A 72 37.323 4.836 12.233 1.00 0.00 C ATOM 1139 CD GLU A 72 38.755 4.404 11.864 1.00 0.00 C ATOM 1140 OE1 GLU A 72 39.135 4.537 10.689 1.00 0.00 O ATOM 1141 OE2 GLU A 72 39.486 3.894 12.740 1.00 0.00 O ATOM 0 H GLU A 72 34.569 2.168 11.303 1.00 0.00 H new ATOM 0 HA GLU A 72 34.831 4.204 13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.632 2.812 12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 72 36.302 3.713 10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 72 37.090 5.784 11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 72 37.257 5.004 13.308 1.00 0.00 H new