USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 12 SER OG : rot 21:sc= 0.196 USER MOD Single : A 13 TYR OH : rot 24:sc= -0.498 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.00026) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 30 SER OG : rot 70:sc= 0.664 USER MOD Single : A 36 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.3) USER MOD Single : A 60 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 64 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.24) USER MOD Single : A 69 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 74 SER OG : rot 72:sc= 0.83 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.425 1.071 0.969 1.00 2.15 N ATOM 159 CA SER A 12 12.884 2.211 0.182 1.00 50.53 C ATOM 160 C SER A 12 11.681 3.043 -0.286 1.00 15.22 C ATOM 161 O SER A 12 11.706 4.286 -0.261 1.00 63.21 O ATOM 162 CB SER A 12 13.681 1.702 -1.018 1.00 44.30 C ATOM 163 OG SER A 12 14.698 0.793 -0.601 1.00 64.35 O ATOM 0 HA SER A 12 13.524 2.847 0.794 1.00 50.53 H new ATOM 0 HB2 SER A 12 13.011 1.208 -1.722 1.00 44.30 H new ATOM 0 HB3 SER A 12 14.132 2.543 -1.544 1.00 44.30 H new ATOM 0 HG SER A 12 14.469 0.427 0.279 1.00 64.35 H new ATOM 169 N TYR A 13 10.632 2.337 -0.663 1.00 0.33 N ATOM 170 CA TYR A 13 9.387 2.930 -1.073 1.00 14.13 C ATOM 171 C TYR A 13 8.712 3.639 0.116 1.00 23.40 C ATOM 172 O TYR A 13 8.354 4.817 0.031 1.00 64.32 O ATOM 173 CB TYR A 13 8.482 1.830 -1.662 1.00 40.45 C ATOM 174 CG TYR A 13 7.074 2.260 -1.971 1.00 42.30 C ATOM 175 CD1 TYR A 13 6.820 3.213 -2.933 1.00 11.22 C ATOM 176 CD2 TYR A 13 5.994 1.715 -1.283 1.00 74.34 C ATOM 177 CE1 TYR A 13 5.539 3.613 -3.203 1.00 21.32 C ATOM 178 CE2 TYR A 13 4.702 2.117 -1.552 1.00 53.34 C ATOM 179 CZ TYR A 13 4.486 3.068 -2.517 1.00 64.23 C ATOM 180 OH TYR A 13 3.213 3.489 -2.797 1.00 4.12 O ATOM 0 H TYR A 13 10.628 1.317 -0.691 1.00 0.33 H new ATOM 0 HA TYR A 13 9.568 3.685 -1.838 1.00 14.13 H new ATOM 0 HB2 TYR A 13 8.940 1.456 -2.577 1.00 40.45 H new ATOM 0 HB3 TYR A 13 8.445 0.997 -0.960 1.00 40.45 H new ATOM 0 HD1 TYR A 13 7.642 3.650 -3.481 1.00 11.22 H new ATOM 0 HD2 TYR A 13 6.170 0.965 -0.526 1.00 74.34 H new ATOM 0 HE1 TYR A 13 5.358 4.362 -3.960 1.00 21.32 H new ATOM 0 HE2 TYR A 13 3.872 1.689 -1.010 1.00 53.34 H new ATOM 0 HH TYR A 13 3.181 3.853 -3.706 1.00 4.12 H new ATOM 190 N VAL A 14 8.581 2.927 1.220 1.00 62.31 N ATOM 191 CA VAL A 14 7.947 3.452 2.415 1.00 31.23 C ATOM 192 C VAL A 14 8.721 4.637 3.008 1.00 34.43 C ATOM 193 O VAL A 14 8.122 5.642 3.373 1.00 34.13 O ATOM 194 CB VAL A 14 7.707 2.351 3.489 1.00 61.12 C ATOM 195 CG1 VAL A 14 7.143 2.955 4.754 1.00 35.30 C ATOM 196 CG2 VAL A 14 6.746 1.294 2.963 1.00 73.52 C ATOM 0 H VAL A 14 8.912 1.967 1.313 1.00 62.31 H new ATOM 0 HA VAL A 14 6.970 3.820 2.101 1.00 31.23 H new ATOM 0 HB VAL A 14 8.667 1.885 3.713 1.00 61.12 H new ATOM 0 HG11 VAL A 14 6.982 2.169 5.492 1.00 35.30 H new ATOM 0 HG12 VAL A 14 7.845 3.688 5.151 1.00 35.30 H new ATOM 0 HG13 VAL A 14 6.194 3.444 4.532 1.00 35.30 H new ATOM 0 HG21 VAL A 14 6.590 0.532 3.727 1.00 73.52 H new ATOM 0 HG22 VAL A 14 5.793 1.760 2.715 1.00 73.52 H new ATOM 0 HG23 VAL A 14 7.167 0.832 2.070 1.00 73.52 H new ATOM 206 N ASN A 15 10.043 4.524 3.090 1.00 61.12 N ATOM 207 CA ASN A 15 10.894 5.585 3.596 1.00 12.13 C ATOM 208 C ASN A 15 10.706 6.868 2.763 1.00 73.01 C ATOM 209 O ASN A 15 10.727 7.993 3.293 1.00 3.53 O ATOM 210 CB ASN A 15 12.338 5.123 3.501 1.00 31.13 C ATOM 211 CG ASN A 15 13.280 5.861 4.410 1.00 72.41 C ATOM 212 OD1 ASN A 15 13.108 7.040 4.726 1.00 55.42 O ATOM 213 ND2 ASN A 15 14.274 5.176 4.842 1.00 11.25 N ATOM 0 H ASN A 15 10.553 3.688 2.805 1.00 61.12 H new ATOM 0 HA ASN A 15 10.631 5.805 4.631 1.00 12.13 H new ATOM 0 HB2 ASN A 15 12.384 4.059 3.734 1.00 31.13 H new ATOM 0 HB3 ASN A 15 12.678 5.239 2.472 1.00 31.13 H new ATOM 0 HD21 ASN A 15 14.955 5.605 5.469 1.00 11.25 H new ATOM 0 HD22 ASN A 15 14.384 4.202 4.559 1.00 11.25 H new ATOM 220 N LYS A 16 10.489 6.685 1.475 1.00 33.42 N ATOM 221 CA LYS A 16 10.269 7.775 0.570 1.00 74.43 C ATOM 222 C LYS A 16 8.925 8.441 0.885 1.00 30.10 C ATOM 223 O LYS A 16 8.824 9.671 0.902 1.00 42.21 O ATOM 224 CB LYS A 16 10.333 7.243 -0.851 1.00 65.34 C ATOM 225 CG LYS A 16 10.298 8.271 -1.933 1.00 21.02 C ATOM 226 CD LYS A 16 10.575 7.595 -3.249 1.00 21.22 C ATOM 227 CE LYS A 16 10.661 8.580 -4.381 1.00 1.30 C ATOM 228 NZ LYS A 16 11.035 7.924 -5.651 1.00 24.54 N ATOM 0 H LYS A 16 10.462 5.766 1.033 1.00 33.42 H new ATOM 0 HA LYS A 16 11.039 8.539 0.682 1.00 74.43 H new ATOM 0 HB2 LYS A 16 11.248 6.660 -0.959 1.00 65.34 H new ATOM 0 HB3 LYS A 16 9.499 6.558 -1.000 1.00 65.34 H new ATOM 0 HG2 LYS A 16 9.325 8.761 -1.957 1.00 21.02 H new ATOM 0 HG3 LYS A 16 11.041 9.046 -1.742 1.00 21.02 H new ATOM 0 HD2 LYS A 16 11.510 7.038 -3.181 1.00 21.22 H new ATOM 0 HD3 LYS A 16 9.787 6.871 -3.458 1.00 21.22 H new ATOM 0 HE2 LYS A 16 9.701 9.082 -4.500 1.00 1.30 H new ATOM 0 HE3 LYS A 16 11.395 9.349 -4.139 1.00 1.30 H new ATOM 0 HZ1 LYS A 16 11.084 8.636 -6.408 1.00 24.54 H new ATOM 0 HZ2 LYS A 16 11.963 7.466 -5.545 1.00 24.54 H new ATOM 0 HZ3 LYS A 16 10.322 7.208 -5.895 1.00 24.54 H new ATOM 242 N ILE A 17 7.913 7.619 1.184 1.00 2.14 N ATOM 243 CA ILE A 17 6.607 8.099 1.596 1.00 33.50 C ATOM 244 C ILE A 17 6.761 8.896 2.884 1.00 30.02 C ATOM 245 O ILE A 17 6.236 10.004 3.008 1.00 72.43 O ATOM 246 CB ILE A 17 5.641 6.921 1.878 1.00 25.21 C ATOM 247 CG1 ILE A 17 5.437 6.049 0.636 1.00 61.20 C ATOM 248 CG2 ILE A 17 4.313 7.437 2.405 1.00 52.33 C ATOM 249 CD1 ILE A 17 4.616 4.803 0.906 1.00 74.53 C ATOM 0 H ILE A 17 7.986 6.602 1.144 1.00 2.14 H new ATOM 0 HA ILE A 17 6.199 8.712 0.792 1.00 33.50 H new ATOM 0 HB ILE A 17 6.096 6.292 2.644 1.00 25.21 H new ATOM 0 HG12 ILE A 17 4.945 6.639 -0.137 1.00 61.20 H new ATOM 0 HG13 ILE A 17 6.410 5.756 0.242 1.00 61.20 H new ATOM 0 HG21 ILE A 17 3.647 6.596 2.598 1.00 52.33 H new ATOM 0 HG22 ILE A 17 4.478 7.988 3.331 1.00 52.33 H new ATOM 0 HG23 ILE A 17 3.860 8.097 1.665 1.00 52.33 H new ATOM 0 HD11 ILE A 17 4.510 4.231 -0.016 1.00 74.53 H new ATOM 0 HD12 ILE A 17 5.118 4.192 1.657 1.00 74.53 H new ATOM 0 HD13 ILE A 17 3.630 5.089 1.271 1.00 74.53 H new ATOM 261 N LYS A 18 7.526 8.321 3.822 1.00 72.23 N ATOM 262 CA LYS A 18 7.787 8.928 5.123 1.00 53.23 C ATOM 263 C LYS A 18 8.295 10.347 4.967 1.00 21.32 C ATOM 264 O LYS A 18 7.864 11.219 5.660 1.00 52.22 O ATOM 265 CB LYS A 18 8.839 8.145 5.925 1.00 64.35 C ATOM 266 CG LYS A 18 8.465 6.766 6.313 1.00 42.11 C ATOM 267 CD LYS A 18 9.558 6.148 7.138 1.00 33.42 C ATOM 268 CE LYS A 18 9.268 4.704 7.380 1.00 73.23 C ATOM 269 NZ LYS A 18 10.287 4.060 8.216 1.00 51.51 N ATOM 0 H LYS A 18 7.981 7.417 3.693 1.00 72.23 H new ATOM 0 HA LYS A 18 6.837 8.915 5.657 1.00 53.23 H new ATOM 0 HB2 LYS A 18 9.756 8.100 5.337 1.00 64.35 H new ATOM 0 HB3 LYS A 18 9.069 8.706 6.831 1.00 64.35 H new ATOM 0 HG2 LYS A 18 7.534 6.779 6.880 1.00 42.11 H new ATOM 0 HG3 LYS A 18 8.287 6.165 5.422 1.00 42.11 H new ATOM 0 HD2 LYS A 18 10.514 6.253 6.625 1.00 33.42 H new ATOM 0 HD3 LYS A 18 9.647 6.673 8.089 1.00 33.42 H new ATOM 0 HE2 LYS A 18 8.294 4.608 7.860 1.00 73.23 H new ATOM 0 HE3 LYS A 18 9.205 4.184 6.424 1.00 73.23 H new ATOM 0 HZ1 LYS A 18 10.040 3.059 8.355 1.00 51.51 H new ATOM 0 HZ2 LYS A 18 11.213 4.127 7.748 1.00 51.51 H new ATOM 0 HZ3 LYS A 18 10.331 4.537 9.139 1.00 51.51 H new ATOM 283 N THR A 19 9.224 10.528 4.057 1.00 44.10 N ATOM 284 CA THR A 19 9.842 11.786 3.766 1.00 14.14 C ATOM 285 C THR A 19 8.901 12.745 2.984 1.00 53.42 C ATOM 286 O THR A 19 8.819 13.932 3.288 1.00 10.20 O ATOM 287 CB THR A 19 11.131 11.476 2.980 1.00 4.13 C ATOM 288 OG1 THR A 19 12.182 11.045 3.859 1.00 52.00 O ATOM 289 CG2 THR A 19 11.567 12.587 2.069 1.00 74.40 C ATOM 0 H THR A 19 9.579 9.766 3.479 1.00 44.10 H new ATOM 0 HA THR A 19 10.071 12.315 4.691 1.00 14.14 H new ATOM 0 HB THR A 19 10.891 10.647 2.314 1.00 4.13 H new ATOM 0 HG1 THR A 19 12.988 10.853 3.336 1.00 52.00 H new ATOM 0 HG21 THR A 19 12.480 12.295 1.550 1.00 74.40 H new ATOM 0 HG22 THR A 19 10.783 12.787 1.339 1.00 74.40 H new ATOM 0 HG23 THR A 19 11.755 13.486 2.656 1.00 74.40 H new ATOM 297 N ARG A 20 8.194 12.227 2.017 1.00 55.42 N ATOM 298 CA ARG A 20 7.314 13.037 1.182 1.00 35.23 C ATOM 299 C ARG A 20 6.104 13.541 1.929 1.00 43.24 C ATOM 300 O ARG A 20 5.488 14.524 1.550 1.00 51.22 O ATOM 301 CB ARG A 20 6.935 12.257 -0.056 1.00 71.01 C ATOM 302 CG ARG A 20 8.040 12.233 -1.108 1.00 21.13 C ATOM 303 CD ARG A 20 8.066 13.520 -1.945 1.00 41.34 C ATOM 304 NE ARG A 20 8.347 14.741 -1.172 1.00 61.13 N ATOM 305 CZ ARG A 20 7.989 15.979 -1.544 1.00 31.24 C ATOM 306 NH1 ARG A 20 7.421 16.191 -2.727 1.00 53.33 N ATOM 307 NH2 ARG A 20 8.219 16.995 -0.744 1.00 5.32 N ATOM 0 H ARG A 20 8.203 11.236 1.777 1.00 55.42 H new ATOM 0 HA ARG A 20 7.859 13.931 0.881 1.00 35.23 H new ATOM 0 HB2 ARG A 20 6.689 11.234 0.227 1.00 71.01 H new ATOM 0 HB3 ARG A 20 6.036 12.692 -0.492 1.00 71.01 H new ATOM 0 HG2 ARG A 20 9.004 12.100 -0.618 1.00 21.13 H new ATOM 0 HG3 ARG A 20 7.896 11.376 -1.766 1.00 21.13 H new ATOM 0 HD2 ARG A 20 8.820 13.417 -2.725 1.00 41.34 H new ATOM 0 HD3 ARG A 20 7.104 13.634 -2.445 1.00 41.34 H new ATOM 0 HE ARG A 20 8.850 14.638 -0.291 1.00 61.13 H new ATOM 0 HH11 ARG A 20 7.254 15.409 -3.360 1.00 53.33 H new ATOM 0 HH12 ARG A 20 7.152 17.136 -3.002 1.00 53.33 H new ATOM 0 HH21 ARG A 20 8.669 16.842 0.158 1.00 5.32 H new ATOM 0 HH22 ARG A 20 7.948 17.937 -1.025 1.00 5.32 H new ATOM 321 N PHE A 21 5.785 12.865 2.976 1.00 52.12 N ATOM 322 CA PHE A 21 4.683 13.206 3.820 1.00 23.13 C ATOM 323 C PHE A 21 5.207 13.284 5.234 1.00 34.41 C ATOM 324 O PHE A 21 4.535 12.928 6.193 1.00 71.05 O ATOM 325 CB PHE A 21 3.581 12.150 3.667 1.00 2.01 C ATOM 326 CG PHE A 21 3.082 12.039 2.243 1.00 24.10 C ATOM 327 CD1 PHE A 21 2.069 12.859 1.784 1.00 51.22 C ATOM 328 CD2 PHE A 21 3.644 11.128 1.365 1.00 74.31 C ATOM 329 CE1 PHE A 21 1.622 12.771 0.482 1.00 44.30 C ATOM 330 CE2 PHE A 21 3.208 11.033 0.071 1.00 22.20 C ATOM 331 CZ PHE A 21 2.191 11.854 -0.377 1.00 53.12 C ATOM 0 H PHE A 21 6.294 12.036 3.282 1.00 52.12 H new ATOM 0 HA PHE A 21 4.244 14.167 3.550 1.00 23.13 H new ATOM 0 HB2 PHE A 21 3.962 11.182 3.992 1.00 2.01 H new ATOM 0 HB3 PHE A 21 2.747 12.401 4.323 1.00 2.01 H new ATOM 0 HD1 PHE A 21 1.621 13.578 2.454 1.00 51.22 H new ATOM 0 HD2 PHE A 21 4.439 10.482 1.707 1.00 74.31 H new ATOM 0 HE1 PHE A 21 0.829 13.418 0.136 1.00 44.30 H new ATOM 0 HE2 PHE A 21 3.659 10.316 -0.600 1.00 22.20 H new ATOM 0 HZ PHE A 21 1.843 11.778 -1.396 1.00 53.12 H new ATOM 341 N LEU A 22 6.434 13.773 5.343 1.00 13.23 N ATOM 342 CA LEU A 22 7.164 13.850 6.600 1.00 10.52 C ATOM 343 C LEU A 22 6.472 14.785 7.582 1.00 52.33 C ATOM 344 O LEU A 22 6.427 14.519 8.787 1.00 41.43 O ATOM 345 CB LEU A 22 8.614 14.302 6.322 1.00 12.05 C ATOM 346 CG LEU A 22 9.737 13.502 6.954 1.00 62.51 C ATOM 347 CD1 LEU A 22 11.086 14.122 6.649 1.00 31.43 C ATOM 348 CD2 LEU A 22 9.534 13.382 8.408 1.00 34.42 C ATOM 0 H LEU A 22 6.959 14.134 4.546 1.00 13.23 H new ATOM 0 HA LEU A 22 7.184 12.862 7.061 1.00 10.52 H new ATOM 0 HB2 LEU A 22 8.765 14.297 5.243 1.00 12.05 H new ATOM 0 HB3 LEU A 22 8.712 15.336 6.653 1.00 12.05 H new ATOM 0 HG LEU A 22 9.723 12.501 6.522 1.00 62.51 H new ATOM 0 HD11 LEU A 22 11.873 13.528 7.114 1.00 31.43 H new ATOM 0 HD12 LEU A 22 11.240 14.146 5.570 1.00 31.43 H new ATOM 0 HD13 LEU A 22 11.117 15.138 7.043 1.00 31.43 H new ATOM 0 HD21 LEU A 22 10.350 12.805 8.843 1.00 34.42 H new ATOM 0 HD22 LEU A 22 9.513 14.376 8.856 1.00 34.42 H new ATOM 0 HD23 LEU A 22 8.588 12.877 8.603 1.00 34.42 H new ATOM 360 N ASP A 23 5.894 15.838 7.066 1.00 54.40 N ATOM 361 CA ASP A 23 5.207 16.805 7.903 1.00 21.43 C ATOM 362 C ASP A 23 3.761 16.375 8.113 1.00 73.45 C ATOM 363 O ASP A 23 3.037 16.931 8.926 1.00 20.31 O ATOM 364 CB ASP A 23 5.283 18.213 7.284 1.00 70.35 C ATOM 365 CG ASP A 23 4.721 19.297 8.182 1.00 15.05 C ATOM 366 OD1 ASP A 23 5.419 19.725 9.132 1.00 41.51 O ATOM 367 OD2 ASP A 23 3.605 19.776 7.941 1.00 11.34 O ATOM 0 H ASP A 23 5.882 16.054 6.069 1.00 54.40 H new ATOM 0 HA ASP A 23 5.700 16.844 8.874 1.00 21.43 H new ATOM 0 HB2 ASP A 23 6.323 18.445 7.054 1.00 70.35 H new ATOM 0 HB3 ASP A 23 4.739 18.216 6.339 1.00 70.35 H new ATOM 372 N HIS A 24 3.356 15.340 7.402 1.00 32.35 N ATOM 373 CA HIS A 24 2.005 14.843 7.487 1.00 71.13 C ATOM 374 C HIS A 24 1.969 13.341 7.785 1.00 52.03 C ATOM 375 O HIS A 24 1.669 12.530 6.890 1.00 61.44 O ATOM 376 CB HIS A 24 1.240 15.114 6.193 1.00 34.51 C ATOM 377 CG HIS A 24 0.991 16.549 5.887 1.00 71.33 C ATOM 378 ND1 HIS A 24 1.869 17.350 5.207 1.00 12.40 N ATOM 379 CD2 HIS A 24 -0.078 17.319 6.171 1.00 62.35 C ATOM 380 CE1 HIS A 24 1.332 18.557 5.098 1.00 23.52 C ATOM 381 NE2 HIS A 24 0.137 18.597 5.673 1.00 32.25 N ATOM 0 H HIS A 24 3.953 14.826 6.754 1.00 32.35 H new ATOM 0 HA HIS A 24 1.527 15.374 8.311 1.00 71.13 H new ATOM 0 HB2 HIS A 24 1.795 14.674 5.364 1.00 34.51 H new ATOM 0 HB3 HIS A 24 0.281 14.599 6.243 1.00 34.51 H new ATOM 0 HD2 HIS A 24 -0.961 16.994 6.701 1.00 62.35 H new ATOM 0 HE1 HIS A 24 1.804 19.395 4.607 1.00 23.52 H new ATOM 0 HE2 HIS A 24 -0.491 19.398 5.736 1.00 32.25 H new ATOM 389 N PRO A 25 2.263 12.928 9.041 1.00 52.43 N ATOM 390 CA PRO A 25 2.238 11.509 9.431 1.00 62.21 C ATOM 391 C PRO A 25 0.827 10.946 9.311 1.00 25.11 C ATOM 392 O PRO A 25 0.628 9.753 9.168 1.00 33.21 O ATOM 393 CB PRO A 25 2.694 11.524 10.898 1.00 42.05 C ATOM 394 CG PRO A 25 3.393 12.829 11.060 1.00 42.20 C ATOM 395 CD PRO A 25 2.659 13.785 10.175 1.00 23.13 C ATOM 0 HA PRO A 25 2.870 10.885 8.800 1.00 62.21 H new ATOM 0 HB2 PRO A 25 1.846 11.441 11.578 1.00 42.05 H new ATOM 0 HB3 PRO A 25 3.359 10.688 11.115 1.00 42.05 H new ATOM 0 HG2 PRO A 25 3.372 13.160 12.098 1.00 42.20 H new ATOM 0 HG3 PRO A 25 4.441 12.752 10.771 1.00 42.20 H new ATOM 0 HD2 PRO A 25 1.795 14.220 10.676 1.00 23.13 H new ATOM 0 HD3 PRO A 25 3.293 14.612 9.857 1.00 23.13 H new ATOM 403 N GLU A 26 -0.135 11.844 9.328 1.00 53.14 N ATOM 404 CA GLU A 26 -1.536 11.532 9.180 1.00 21.51 C ATOM 405 C GLU A 26 -1.815 10.822 7.833 1.00 2.24 C ATOM 406 O GLU A 26 -2.531 9.832 7.790 1.00 4.40 O ATOM 407 CB GLU A 26 -2.329 12.825 9.309 1.00 42.34 C ATOM 408 CG GLU A 26 -1.961 13.867 8.275 1.00 22.31 C ATOM 409 CD GLU A 26 -2.579 15.206 8.534 1.00 74.41 C ATOM 410 OE1 GLU A 26 -2.011 16.002 9.318 1.00 32.42 O ATOM 411 OE2 GLU A 26 -3.636 15.503 7.954 1.00 61.34 O ATOM 0 H GLU A 26 0.044 12.841 9.449 1.00 53.14 H new ATOM 0 HA GLU A 26 -1.845 10.837 9.961 1.00 21.51 H new ATOM 0 HB2 GLU A 26 -3.392 12.600 9.223 1.00 42.34 H new ATOM 0 HB3 GLU A 26 -2.171 13.241 10.304 1.00 42.34 H new ATOM 0 HG2 GLU A 26 -0.877 13.975 8.248 1.00 22.31 H new ATOM 0 HG3 GLU A 26 -2.271 13.516 7.290 1.00 22.31 H new ATOM 418 N ILE A 27 -1.170 11.294 6.767 1.00 73.51 N ATOM 419 CA ILE A 27 -1.341 10.752 5.421 1.00 12.24 C ATOM 420 C ILE A 27 -0.713 9.383 5.353 1.00 72.22 C ATOM 421 O ILE A 27 -1.274 8.445 4.787 1.00 24.14 O ATOM 422 CB ILE A 27 -0.699 11.706 4.390 1.00 11.23 C ATOM 423 CG1 ILE A 27 -1.373 13.079 4.526 1.00 53.34 C ATOM 424 CG2 ILE A 27 -0.805 11.155 2.952 1.00 73.13 C ATOM 425 CD1 ILE A 27 -0.891 14.110 3.554 1.00 64.53 C ATOM 0 H ILE A 27 -0.509 12.069 6.814 1.00 73.51 H new ATOM 0 HA ILE A 27 -2.402 10.662 5.188 1.00 12.24 H new ATOM 0 HB ILE A 27 0.368 11.799 4.593 1.00 11.23 H new ATOM 0 HG12 ILE A 27 -2.449 12.955 4.400 1.00 53.34 H new ATOM 0 HG13 ILE A 27 -1.211 13.450 5.538 1.00 53.34 H new ATOM 0 HG21 ILE A 27 -0.341 11.857 2.258 1.00 73.13 H new ATOM 0 HG22 ILE A 27 -0.294 10.194 2.892 1.00 73.13 H new ATOM 0 HG23 ILE A 27 -1.855 11.025 2.689 1.00 73.13 H new ATOM 0 HD11 ILE A 27 -1.422 15.047 3.724 1.00 64.53 H new ATOM 0 HD12 ILE A 27 0.178 14.269 3.692 1.00 64.53 H new ATOM 0 HD13 ILE A 27 -1.078 13.766 2.537 1.00 64.53 H new ATOM 437 N TYR A 28 0.423 9.275 6.011 1.00 12.43 N ATOM 438 CA TYR A 28 1.167 8.036 6.136 1.00 61.31 C ATOM 439 C TYR A 28 0.264 6.986 6.791 1.00 11.53 C ATOM 440 O TYR A 28 0.136 5.860 6.322 1.00 71.14 O ATOM 441 CB TYR A 28 2.359 8.304 7.048 1.00 1.11 C ATOM 442 CG TYR A 28 3.364 7.193 7.165 1.00 24.23 C ATOM 443 CD1 TYR A 28 4.333 7.001 6.194 1.00 43.21 C ATOM 444 CD2 TYR A 28 3.350 6.345 8.256 1.00 64.04 C ATOM 445 CE1 TYR A 28 5.252 5.993 6.311 1.00 75.42 C ATOM 446 CE2 TYR A 28 4.269 5.335 8.382 1.00 14.35 C ATOM 447 CZ TYR A 28 5.217 5.160 7.415 1.00 24.22 C ATOM 448 OH TYR A 28 6.145 4.161 7.555 1.00 42.32 O ATOM 0 H TYR A 28 0.865 10.063 6.485 1.00 12.43 H new ATOM 0 HA TYR A 28 1.499 7.679 5.161 1.00 61.31 H new ATOM 0 HB2 TYR A 28 2.873 9.195 6.688 1.00 1.11 H new ATOM 0 HB3 TYR A 28 1.983 8.534 8.045 1.00 1.11 H new ATOM 0 HD1 TYR A 28 4.364 7.654 5.334 1.00 43.21 H new ATOM 0 HD2 TYR A 28 2.602 6.480 9.023 1.00 64.04 H new ATOM 0 HE1 TYR A 28 6.000 5.849 5.546 1.00 75.42 H new ATOM 0 HE2 TYR A 28 4.243 4.682 9.241 1.00 14.35 H new ATOM 0 HH TYR A 28 5.976 3.672 8.387 1.00 42.32 H new ATOM 458 N ARG A 29 -0.394 7.402 7.854 1.00 2.02 N ATOM 459 CA ARG A 29 -1.262 6.544 8.624 1.00 12.44 C ATOM 460 C ARG A 29 -2.525 6.165 7.855 1.00 30.31 C ATOM 461 O ARG A 29 -3.011 5.031 7.967 1.00 32.04 O ATOM 462 CB ARG A 29 -1.629 7.211 9.915 1.00 70.41 C ATOM 463 CG ARG A 29 -0.464 7.420 10.830 1.00 44.35 C ATOM 464 CD ARG A 29 -0.840 8.390 11.886 1.00 21.03 C ATOM 465 NE ARG A 29 0.280 8.736 12.754 1.00 5.22 N ATOM 466 CZ ARG A 29 0.207 9.586 13.784 1.00 42.31 C ATOM 467 NH1 ARG A 29 -0.958 10.149 14.108 1.00 53.01 N ATOM 468 NH2 ARG A 29 1.298 9.864 14.492 1.00 53.31 N ATOM 0 H ARG A 29 -0.338 8.357 8.209 1.00 2.02 H new ATOM 0 HA ARG A 29 -0.715 5.624 8.829 1.00 12.44 H new ATOM 0 HB2 ARG A 29 -2.089 8.175 9.699 1.00 70.41 H new ATOM 0 HB3 ARG A 29 -2.379 6.608 10.426 1.00 70.41 H new ATOM 0 HG2 ARG A 29 -0.165 6.473 11.279 1.00 44.35 H new ATOM 0 HG3 ARG A 29 0.393 7.791 10.268 1.00 44.35 H new ATOM 0 HD2 ARG A 29 -1.228 9.296 11.421 1.00 21.03 H new ATOM 0 HD3 ARG A 29 -1.646 7.971 12.489 1.00 21.03 H new ATOM 0 HE ARG A 29 1.182 8.299 12.562 1.00 5.22 H new ATOM 0 HH11 ARG A 29 -1.797 9.932 13.570 1.00 53.01 H new ATOM 0 HH12 ARG A 29 -1.010 10.797 14.894 1.00 53.01 H new ATOM 0 HH21 ARG A 29 2.188 9.429 14.249 1.00 53.31 H new ATOM 0 HH22 ARG A 29 1.245 10.512 15.278 1.00 53.31 H new ATOM 482 N SER A 30 -3.064 7.109 7.086 1.00 41.31 N ATOM 483 CA SER A 30 -4.238 6.852 6.264 1.00 33.23 C ATOM 484 C SER A 30 -3.907 5.814 5.202 1.00 73.34 C ATOM 485 O SER A 30 -4.767 5.071 4.748 1.00 35.02 O ATOM 486 CB SER A 30 -4.746 8.150 5.625 1.00 42.02 C ATOM 487 OG SER A 30 -5.108 9.097 6.623 1.00 1.54 O ATOM 0 H SER A 30 -2.703 8.060 7.017 1.00 41.31 H new ATOM 0 HA SER A 30 -5.034 6.460 6.897 1.00 33.23 H new ATOM 0 HB2 SER A 30 -3.973 8.571 4.982 1.00 42.02 H new ATOM 0 HB3 SER A 30 -5.607 7.936 4.991 1.00 42.02 H new ATOM 0 HG SER A 30 -4.301 9.423 7.073 1.00 1.54 H new ATOM 493 N PHE A 31 -2.660 5.794 4.800 1.00 13.45 N ATOM 494 CA PHE A 31 -2.179 4.817 3.879 1.00 35.32 C ATOM 495 C PHE A 31 -2.013 3.452 4.539 1.00 32.44 C ATOM 496 O PHE A 31 -2.433 2.436 3.987 1.00 32.00 O ATOM 497 CB PHE A 31 -0.873 5.271 3.255 1.00 35.25 C ATOM 498 CG PHE A 31 -0.166 4.172 2.541 1.00 53.55 C ATOM 499 CD1 PHE A 31 -0.651 3.694 1.338 1.00 13.41 C ATOM 500 CD2 PHE A 31 0.948 3.582 3.102 1.00 40.33 C ATOM 501 CE1 PHE A 31 -0.034 2.647 0.697 1.00 54.44 C ATOM 502 CE2 PHE A 31 1.577 2.530 2.476 1.00 10.41 C ATOM 503 CZ PHE A 31 1.087 2.056 1.266 1.00 51.33 C ATOM 0 H PHE A 31 -1.954 6.462 5.109 1.00 13.45 H new ATOM 0 HA PHE A 31 -2.925 4.712 3.092 1.00 35.32 H new ATOM 0 HB2 PHE A 31 -1.072 6.084 2.557 1.00 35.25 H new ATOM 0 HB3 PHE A 31 -0.223 5.671 4.033 1.00 35.25 H new ATOM 0 HD1 PHE A 31 -1.525 4.149 0.897 1.00 13.41 H new ATOM 0 HD2 PHE A 31 1.331 3.950 4.043 1.00 40.33 H new ATOM 0 HE1 PHE A 31 -0.419 2.285 -0.245 1.00 54.44 H new ATOM 0 HE2 PHE A 31 2.448 2.075 2.924 1.00 10.41 H new ATOM 0 HZ PHE A 31 1.576 1.231 0.769 1.00 51.33 H new ATOM 513 N LEU A 32 -1.394 3.442 5.708 1.00 4.53 N ATOM 514 CA LEU A 32 -1.114 2.221 6.451 1.00 43.51 C ATOM 515 C LEU A 32 -2.365 1.387 6.652 1.00 54.34 C ATOM 516 O LEU A 32 -2.344 0.165 6.507 1.00 45.24 O ATOM 517 CB LEU A 32 -0.509 2.574 7.803 1.00 13.52 C ATOM 518 CG LEU A 32 0.859 3.238 7.785 1.00 73.41 C ATOM 519 CD1 LEU A 32 1.291 3.533 9.198 1.00 2.22 C ATOM 520 CD2 LEU A 32 1.893 2.365 7.069 1.00 32.32 C ATOM 0 H LEU A 32 -1.068 4.289 6.174 1.00 4.53 H new ATOM 0 HA LEU A 32 -0.408 1.628 5.870 1.00 43.51 H new ATOM 0 HB2 LEU A 32 -1.202 3.235 8.324 1.00 13.52 H new ATOM 0 HB3 LEU A 32 -0.436 1.660 8.393 1.00 13.52 H new ATOM 0 HG LEU A 32 0.787 4.173 7.229 1.00 73.41 H new ATOM 0 HD11 LEU A 32 2.272 4.009 9.187 1.00 2.22 H new ATOM 0 HD12 LEU A 32 0.569 4.201 9.667 1.00 2.22 H new ATOM 0 HD13 LEU A 32 1.346 2.603 9.763 1.00 2.22 H new ATOM 0 HD21 LEU A 32 2.860 2.868 7.074 1.00 32.32 H new ATOM 0 HD22 LEU A 32 1.980 1.408 7.583 1.00 32.32 H new ATOM 0 HD23 LEU A 32 1.577 2.196 6.040 1.00 32.32 H new ATOM 532 N GLU A 33 -3.459 2.064 6.902 1.00 70.23 N ATOM 533 CA GLU A 33 -4.717 1.419 7.176 1.00 70.34 C ATOM 534 C GLU A 33 -5.253 0.692 5.931 1.00 34.21 C ATOM 535 O GLU A 33 -5.951 -0.306 6.039 1.00 52.24 O ATOM 536 CB GLU A 33 -5.708 2.431 7.728 1.00 25.44 C ATOM 537 CG GLU A 33 -6.428 3.307 6.711 1.00 60.22 C ATOM 538 CD GLU A 33 -7.258 4.345 7.410 1.00 63.20 C ATOM 539 OE1 GLU A 33 -8.351 4.022 7.923 1.00 30.25 O ATOM 540 OE2 GLU A 33 -6.837 5.496 7.503 1.00 23.23 O ATOM 0 H GLU A 33 -3.501 3.083 6.921 1.00 70.23 H new ATOM 0 HA GLU A 33 -4.566 0.653 7.937 1.00 70.34 H new ATOM 0 HB2 GLU A 33 -6.459 1.892 8.305 1.00 25.44 H new ATOM 0 HB3 GLU A 33 -5.178 3.082 8.423 1.00 25.44 H new ATOM 0 HG2 GLU A 33 -5.701 3.792 6.059 1.00 60.22 H new ATOM 0 HG3 GLU A 33 -7.064 2.690 6.076 1.00 60.22 H new ATOM 547 N ILE A 34 -4.892 1.194 4.761 1.00 3.40 N ATOM 548 CA ILE A 34 -5.285 0.634 3.497 1.00 13.00 C ATOM 549 C ILE A 34 -4.620 -0.716 3.313 1.00 31.23 C ATOM 550 O ILE A 34 -5.265 -1.687 2.939 1.00 12.23 O ATOM 551 CB ILE A 34 -4.857 1.602 2.371 1.00 40.14 C ATOM 552 CG1 ILE A 34 -5.630 2.909 2.527 1.00 64.43 C ATOM 553 CG2 ILE A 34 -5.035 0.996 0.982 1.00 34.22 C ATOM 554 CD1 ILE A 34 -5.165 4.019 1.635 1.00 61.12 C ATOM 0 H ILE A 34 -4.303 2.022 4.672 1.00 3.40 H new ATOM 0 HA ILE A 34 -6.366 0.497 3.465 1.00 13.00 H new ATOM 0 HB ILE A 34 -3.789 1.800 2.465 1.00 40.14 H new ATOM 0 HG12 ILE A 34 -6.685 2.718 2.328 1.00 64.43 H new ATOM 0 HG13 ILE A 34 -5.556 3.238 3.563 1.00 64.43 H new ATOM 0 HG21 ILE A 34 -4.720 1.717 0.227 1.00 34.22 H new ATOM 0 HG22 ILE A 34 -4.429 0.094 0.898 1.00 34.22 H new ATOM 0 HG23 ILE A 34 -6.084 0.743 0.827 1.00 34.22 H new ATOM 0 HD11 ILE A 34 -5.770 4.908 1.814 1.00 61.12 H new ATOM 0 HD12 ILE A 34 -4.120 4.243 1.848 1.00 61.12 H new ATOM 0 HD13 ILE A 34 -5.266 3.715 0.593 1.00 61.12 H new ATOM 566 N LEU A 35 -3.344 -0.780 3.610 1.00 13.24 N ATOM 567 CA LEU A 35 -2.610 -1.996 3.481 1.00 4.55 C ATOM 568 C LEU A 35 -3.051 -2.970 4.580 1.00 73.30 C ATOM 569 O LEU A 35 -3.080 -4.180 4.384 1.00 42.45 O ATOM 570 CB LEU A 35 -1.128 -1.672 3.572 1.00 45.55 C ATOM 571 CG LEU A 35 -0.148 -2.612 2.854 1.00 53.22 C ATOM 572 CD1 LEU A 35 -0.077 -3.985 3.499 1.00 70.01 C ATOM 573 CD2 LEU A 35 -0.507 -2.745 1.377 1.00 33.40 C ATOM 0 H LEU A 35 -2.795 0.012 3.946 1.00 13.24 H new ATOM 0 HA LEU A 35 -2.802 -2.473 2.520 1.00 4.55 H new ATOM 0 HB2 LEU A 35 -0.979 -0.667 3.177 1.00 45.55 H new ATOM 0 HB3 LEU A 35 -0.855 -1.644 4.627 1.00 45.55 H new ATOM 0 HG LEU A 35 0.839 -2.159 2.945 1.00 53.22 H new ATOM 0 HD11 LEU A 35 0.630 -4.608 2.951 1.00 70.01 H new ATOM 0 HD12 LEU A 35 0.253 -3.885 4.533 1.00 70.01 H new ATOM 0 HD13 LEU A 35 -1.063 -4.449 3.476 1.00 70.01 H new ATOM 0 HD21 LEU A 35 0.201 -3.415 0.889 1.00 33.40 H new ATOM 0 HD22 LEU A 35 -1.515 -3.150 1.282 1.00 33.40 H new ATOM 0 HD23 LEU A 35 -0.464 -1.765 0.902 1.00 33.40 H new ATOM 585 N HIS A 36 -3.414 -2.438 5.720 1.00 25.11 N ATOM 586 CA HIS A 36 -3.897 -3.267 6.794 1.00 32.41 C ATOM 587 C HIS A 36 -5.278 -3.840 6.499 1.00 72.40 C ATOM 588 O HIS A 36 -5.486 -5.027 6.678 1.00 3.02 O ATOM 589 CB HIS A 36 -3.852 -2.551 8.149 1.00 33.34 C ATOM 590 CG HIS A 36 -2.457 -2.327 8.662 1.00 14.05 C ATOM 591 ND1 HIS A 36 -2.040 -1.178 9.296 1.00 42.34 N ATOM 592 CD2 HIS A 36 -1.377 -3.151 8.633 1.00 14.14 C ATOM 593 CE1 HIS A 36 -0.756 -1.328 9.624 1.00 61.12 C ATOM 594 NE2 HIS A 36 -0.299 -2.517 9.243 1.00 34.32 N ATOM 0 H HIS A 36 -3.384 -1.440 5.927 1.00 25.11 H new ATOM 0 HA HIS A 36 -3.211 -4.111 6.864 1.00 32.41 H new ATOM 0 HB2 HIS A 36 -4.357 -1.589 8.060 1.00 33.34 H new ATOM 0 HB3 HIS A 36 -4.410 -3.137 8.880 1.00 33.34 H new ATOM 0 HD2 HIS A 36 -1.358 -4.142 8.204 1.00 14.14 H new ATOM 0 HE1 HIS A 36 -0.165 -0.581 10.133 1.00 61.12 H new ATOM 0 HE2 HIS A 36 0.643 -2.886 9.371 1.00 34.32 H new ATOM 602 N THR A 37 -6.195 -3.021 5.968 1.00 14.42 N ATOM 603 CA THR A 37 -7.566 -3.466 5.677 1.00 55.31 C ATOM 604 C THR A 37 -7.537 -4.500 4.547 1.00 2.35 C ATOM 605 O THR A 37 -8.397 -5.389 4.443 1.00 65.20 O ATOM 606 CB THR A 37 -8.486 -2.255 5.296 1.00 52.02 C ATOM 607 OG1 THR A 37 -9.874 -2.620 5.381 1.00 72.42 O ATOM 608 CG2 THR A 37 -8.204 -1.739 3.893 1.00 54.34 C ATOM 0 H THR A 37 -6.013 -2.046 5.731 1.00 14.42 H new ATOM 0 HA THR A 37 -7.983 -3.924 6.574 1.00 55.31 H new ATOM 0 HB THR A 37 -8.263 -1.463 6.011 1.00 52.02 H new ATOM 0 HG1 THR A 37 -10.430 -1.850 5.141 1.00 72.42 H new ATOM 0 HG21 THR A 37 -8.865 -0.901 3.674 1.00 54.34 H new ATOM 0 HG22 THR A 37 -7.167 -1.410 3.828 1.00 54.34 H new ATOM 0 HG23 THR A 37 -8.378 -2.536 3.170 1.00 54.34 H new ATOM 616 N TYR A 38 -6.504 -4.373 3.749 1.00 62.30 N ATOM 617 CA TYR A 38 -6.218 -5.230 2.633 1.00 32.52 C ATOM 618 C TYR A 38 -6.015 -6.679 3.132 1.00 71.45 C ATOM 619 O TYR A 38 -6.492 -7.634 2.545 1.00 41.32 O ATOM 620 CB TYR A 38 -4.921 -4.710 1.991 1.00 53.32 C ATOM 621 CG TYR A 38 -4.536 -5.325 0.693 1.00 34.35 C ATOM 622 CD1 TYR A 38 -4.996 -4.774 -0.460 1.00 12.05 C ATOM 623 CD2 TYR A 38 -3.700 -6.429 0.619 1.00 23.32 C ATOM 624 CE1 TYR A 38 -4.653 -5.287 -1.697 1.00 42.31 C ATOM 625 CE2 TYR A 38 -3.340 -6.963 -0.602 1.00 73.14 C ATOM 626 CZ TYR A 38 -3.819 -6.386 -1.762 1.00 15.42 C ATOM 627 OH TYR A 38 -3.465 -6.916 -2.982 1.00 1.21 O ATOM 0 H TYR A 38 -5.811 -3.634 3.869 1.00 62.30 H new ATOM 0 HA TYR A 38 -7.036 -5.228 1.913 1.00 32.52 H new ATOM 0 HB2 TYR A 38 -5.019 -3.634 1.844 1.00 53.32 H new ATOM 0 HB3 TYR A 38 -4.105 -4.862 2.697 1.00 53.32 H new ATOM 0 HD1 TYR A 38 -5.646 -3.913 -0.409 1.00 12.05 H new ATOM 0 HD2 TYR A 38 -3.326 -6.877 1.528 1.00 23.32 H new ATOM 0 HE1 TYR A 38 -5.032 -4.834 -2.601 1.00 42.31 H new ATOM 0 HE2 TYR A 38 -2.690 -7.824 -0.650 1.00 73.14 H new ATOM 0 HH TYR A 38 -2.873 -7.685 -2.845 1.00 1.21 H new ATOM 637 N GLN A 39 -5.363 -6.793 4.279 1.00 33.41 N ATOM 638 CA GLN A 39 -4.959 -8.073 4.858 1.00 75.00 C ATOM 639 C GLN A 39 -6.112 -8.883 5.469 1.00 50.55 C ATOM 640 O GLN A 39 -6.030 -10.112 5.550 1.00 42.40 O ATOM 641 CB GLN A 39 -3.887 -7.836 5.915 1.00 34.40 C ATOM 642 CG GLN A 39 -2.587 -7.268 5.366 1.00 43.03 C ATOM 643 CD GLN A 39 -1.579 -6.927 6.450 1.00 52.11 C ATOM 644 OE1 GLN A 39 -1.541 -7.549 7.516 1.00 32.44 O ATOM 645 NE2 GLN A 39 -0.764 -5.938 6.196 1.00 44.20 N ATOM 0 H GLN A 39 -5.094 -5.989 4.845 1.00 33.41 H new ATOM 0 HA GLN A 39 -4.574 -8.671 4.032 1.00 75.00 H new ATOM 0 HB2 GLN A 39 -4.280 -7.153 6.668 1.00 34.40 H new ATOM 0 HB3 GLN A 39 -3.675 -8.779 6.419 1.00 34.40 H new ATOM 0 HG2 GLN A 39 -2.143 -7.990 4.680 1.00 43.03 H new ATOM 0 HG3 GLN A 39 -2.806 -6.371 4.787 1.00 43.03 H new ATOM 0 HE21 GLN A 39 -0.822 -5.445 5.305 1.00 44.20 H new ATOM 0 HE22 GLN A 39 -0.069 -5.659 6.889 1.00 44.20 H new ATOM 904 N GLU A 55 -8.069 -4.910 -5.313 1.00 2.31 N ATOM 905 CA GLU A 55 -6.823 -4.239 -5.518 1.00 52.04 C ATOM 906 C GLU A 55 -7.055 -2.886 -6.193 1.00 13.32 C ATOM 907 O GLU A 55 -6.352 -1.923 -5.931 1.00 13.21 O ATOM 908 CB GLU A 55 -5.958 -5.118 -6.374 1.00 54.21 C ATOM 909 CG GLU A 55 -4.621 -4.548 -6.661 1.00 14.24 C ATOM 910 CD GLU A 55 -3.893 -5.339 -7.695 1.00 42.12 C ATOM 911 OE1 GLU A 55 -4.498 -5.622 -8.741 1.00 70.11 O ATOM 912 OE2 GLU A 55 -2.706 -5.667 -7.494 1.00 51.20 O ATOM 0 HA GLU A 55 -6.332 -4.052 -4.563 1.00 52.04 H new ATOM 0 HB2 GLU A 55 -5.833 -6.081 -5.879 1.00 54.21 H new ATOM 0 HB3 GLU A 55 -6.471 -5.309 -7.317 1.00 54.21 H new ATOM 0 HG2 GLU A 55 -4.730 -3.518 -7.001 1.00 14.24 H new ATOM 0 HG3 GLU A 55 -4.033 -4.520 -5.744 1.00 14.24 H new ATOM 919 N GLU A 56 -8.082 -2.825 -7.010 1.00 23.35 N ATOM 920 CA GLU A 56 -8.466 -1.625 -7.703 1.00 34.24 C ATOM 921 C GLU A 56 -8.922 -0.540 -6.714 1.00 40.24 C ATOM 922 O GLU A 56 -8.570 0.633 -6.869 1.00 61.40 O ATOM 923 CB GLU A 56 -9.576 -1.951 -8.687 1.00 11.32 C ATOM 924 CG GLU A 56 -10.060 -0.786 -9.513 1.00 75.12 C ATOM 925 CD GLU A 56 -11.185 -1.187 -10.411 1.00 21.22 C ATOM 926 OE1 GLU A 56 -12.350 -1.209 -9.945 1.00 13.01 O ATOM 927 OE2 GLU A 56 -10.940 -1.516 -11.590 1.00 44.13 O ATOM 0 H GLU A 56 -8.682 -3.625 -7.212 1.00 23.35 H new ATOM 0 HA GLU A 56 -7.604 -1.236 -8.244 1.00 34.24 H new ATOM 0 HB2 GLU A 56 -9.226 -2.733 -9.360 1.00 11.32 H new ATOM 0 HB3 GLU A 56 -10.421 -2.361 -8.135 1.00 11.32 H new ATOM 0 HG2 GLU A 56 -10.387 0.019 -8.854 1.00 75.12 H new ATOM 0 HG3 GLU A 56 -9.237 -0.394 -10.111 1.00 75.12 H new ATOM 934 N GLU A 57 -9.644 -0.930 -5.656 1.00 61.45 N ATOM 935 CA GLU A 57 -10.148 0.050 -4.714 1.00 15.52 C ATOM 936 C GLU A 57 -9.015 0.444 -3.794 1.00 73.24 C ATOM 937 O GLU A 57 -8.931 1.584 -3.324 1.00 73.10 O ATOM 938 CB GLU A 57 -11.342 -0.488 -3.931 1.00 34.44 C ATOM 939 CG GLU A 57 -10.967 -1.331 -2.760 1.00 62.24 C ATOM 940 CD GLU A 57 -12.147 -1.854 -2.024 1.00 35.04 C ATOM 941 OE1 GLU A 57 -12.630 -1.160 -1.107 1.00 12.42 O ATOM 942 OE2 GLU A 57 -12.629 -2.963 -2.361 1.00 22.52 O ATOM 0 H GLU A 57 -9.883 -1.898 -5.442 1.00 61.45 H new ATOM 0 HA GLU A 57 -10.507 0.927 -5.253 1.00 15.52 H new ATOM 0 HB2 GLU A 57 -11.944 0.352 -3.584 1.00 34.44 H new ATOM 0 HB3 GLU A 57 -11.970 -1.074 -4.602 1.00 34.44 H new ATOM 0 HG2 GLU A 57 -10.357 -2.168 -3.101 1.00 62.24 H new ATOM 0 HG3 GLU A 57 -10.351 -0.745 -2.079 1.00 62.24 H new ATOM 949 N VAL A 58 -8.112 -0.512 -3.592 1.00 63.13 N ATOM 950 CA VAL A 58 -6.931 -0.323 -2.839 1.00 53.42 C ATOM 951 C VAL A 58 -6.103 0.728 -3.516 1.00 61.32 C ATOM 952 O VAL A 58 -5.803 1.765 -2.940 1.00 52.22 O ATOM 953 CB VAL A 58 -6.153 -1.654 -2.767 1.00 13.30 C ATOM 954 CG1 VAL A 58 -4.787 -1.490 -2.188 1.00 42.24 C ATOM 955 CG2 VAL A 58 -6.920 -2.623 -1.953 1.00 4.24 C ATOM 0 H VAL A 58 -8.208 -1.455 -3.968 1.00 63.13 H new ATOM 0 HA VAL A 58 -7.170 -0.004 -1.825 1.00 53.42 H new ATOM 0 HB VAL A 58 -6.030 -2.017 -3.787 1.00 13.30 H new ATOM 0 HG11 VAL A 58 -4.285 -2.457 -2.161 1.00 42.24 H new ATOM 0 HG12 VAL A 58 -4.211 -0.799 -2.804 1.00 42.24 H new ATOM 0 HG13 VAL A 58 -4.866 -1.094 -1.176 1.00 42.24 H new ATOM 0 HG21 VAL A 58 -6.375 -3.565 -1.899 1.00 4.24 H new ATOM 0 HG22 VAL A 58 -7.057 -2.225 -0.948 1.00 4.24 H new ATOM 0 HG23 VAL A 58 -7.894 -2.793 -2.412 1.00 4.24 H new ATOM 965 N PHE A 59 -5.843 0.486 -4.781 1.00 51.03 N ATOM 966 CA PHE A 59 -5.053 1.350 -5.596 1.00 43.33 C ATOM 967 C PHE A 59 -5.696 2.724 -5.717 1.00 13.40 C ATOM 968 O PHE A 59 -5.004 3.702 -5.828 1.00 11.33 O ATOM 969 CB PHE A 59 -4.819 0.714 -6.964 1.00 31.54 C ATOM 970 CG PHE A 59 -3.846 1.458 -7.820 1.00 74.42 C ATOM 971 CD1 PHE A 59 -2.500 1.432 -7.518 1.00 11.52 C ATOM 972 CD2 PHE A 59 -4.271 2.187 -8.913 1.00 2.34 C ATOM 973 CE1 PHE A 59 -1.592 2.115 -8.288 1.00 74.42 C ATOM 974 CE2 PHE A 59 -3.366 2.875 -9.689 1.00 42.55 C ATOM 975 CZ PHE A 59 -2.022 2.837 -9.374 1.00 64.42 C ATOM 0 H PHE A 59 -6.188 -0.338 -5.273 1.00 51.03 H new ATOM 0 HA PHE A 59 -4.083 1.491 -5.119 1.00 43.33 H new ATOM 0 HB2 PHE A 59 -4.459 -0.305 -6.823 1.00 31.54 H new ATOM 0 HB3 PHE A 59 -5.772 0.645 -7.489 1.00 31.54 H new ATOM 0 HD1 PHE A 59 -2.156 0.867 -6.664 1.00 11.52 H new ATOM 0 HD2 PHE A 59 -5.322 2.218 -9.161 1.00 2.34 H new ATOM 0 HE1 PHE A 59 -0.541 2.085 -8.040 1.00 74.42 H new ATOM 0 HE2 PHE A 59 -3.706 3.443 -10.542 1.00 42.55 H new ATOM 0 HZ PHE A 59 -1.309 3.375 -9.982 1.00 64.42 H new ATOM 985 N THR A 60 -7.024 2.787 -5.644 1.00 2.32 N ATOM 986 CA THR A 60 -7.726 4.000 -5.678 1.00 24.52 C ATOM 987 C THR A 60 -7.377 4.867 -4.457 1.00 2.11 C ATOM 988 O THR A 60 -6.968 6.010 -4.616 1.00 72.33 O ATOM 989 CB THR A 60 -9.223 3.711 -5.718 1.00 1.45 C ATOM 990 OG1 THR A 60 -9.582 3.105 -6.981 1.00 64.21 O ATOM 991 CG2 THR A 60 -9.993 4.960 -5.493 1.00 54.33 C ATOM 0 H THR A 60 -7.622 1.965 -5.559 1.00 2.32 H new ATOM 0 HA THR A 60 -7.440 4.554 -6.572 1.00 24.52 H new ATOM 0 HB THR A 60 -9.469 3.010 -4.921 1.00 1.45 H new ATOM 0 HG1 THR A 60 -9.488 2.132 -6.915 1.00 64.21 H new ATOM 0 HG21 THR A 60 -11.060 4.740 -5.524 1.00 54.33 H new ATOM 0 HG22 THR A 60 -9.736 5.375 -4.518 1.00 54.33 H new ATOM 0 HG23 THR A 60 -9.749 5.683 -6.271 1.00 54.33 H new ATOM 999 N GLU A 61 -7.488 4.304 -3.250 1.00 31.14 N ATOM 1000 CA GLU A 61 -7.197 5.064 -2.052 1.00 31.24 C ATOM 1001 C GLU A 61 -5.728 5.397 -1.961 1.00 23.13 C ATOM 1002 O GLU A 61 -5.358 6.417 -1.429 1.00 52.21 O ATOM 1003 CB GLU A 61 -7.659 4.333 -0.817 1.00 24.14 C ATOM 1004 CG GLU A 61 -9.145 4.369 -0.668 1.00 74.50 C ATOM 1005 CD GLU A 61 -9.658 5.781 -0.523 1.00 40.14 C ATOM 1006 OE1 GLU A 61 -9.404 6.418 0.522 1.00 74.32 O ATOM 1007 OE2 GLU A 61 -10.329 6.276 -1.449 1.00 53.44 O ATOM 0 H GLU A 61 -7.774 3.338 -3.087 1.00 31.14 H new ATOM 0 HA GLU A 61 -7.751 6.001 -2.114 1.00 31.24 H new ATOM 0 HB2 GLU A 61 -7.324 3.297 -0.863 1.00 24.14 H new ATOM 0 HB3 GLU A 61 -7.196 4.779 0.063 1.00 24.14 H new ATOM 0 HG2 GLU A 61 -9.609 3.901 -1.536 1.00 74.50 H new ATOM 0 HG3 GLU A 61 -9.437 3.784 0.204 1.00 74.50 H new ATOM 1014 N VAL A 62 -4.900 4.533 -2.510 1.00 21.32 N ATOM 1015 CA VAL A 62 -3.468 4.758 -2.547 1.00 34.31 C ATOM 1016 C VAL A 62 -3.135 5.862 -3.560 1.00 12.30 C ATOM 1017 O VAL A 62 -2.308 6.733 -3.298 1.00 73.33 O ATOM 1018 CB VAL A 62 -2.711 3.451 -2.870 1.00 42.02 C ATOM 1019 CG1 VAL A 62 -1.226 3.665 -2.865 1.00 2.11 C ATOM 1020 CG2 VAL A 62 -3.064 2.406 -1.851 1.00 22.41 C ATOM 0 H VAL A 62 -5.198 3.658 -2.942 1.00 21.32 H new ATOM 0 HA VAL A 62 -3.140 5.088 -1.561 1.00 34.31 H new ATOM 0 HB VAL A 62 -3.007 3.123 -3.867 1.00 42.02 H new ATOM 0 HG11 VAL A 62 -0.722 2.726 -3.096 1.00 2.11 H new ATOM 0 HG12 VAL A 62 -0.963 4.412 -3.615 1.00 2.11 H new ATOM 0 HG13 VAL A 62 -0.912 4.013 -1.881 1.00 2.11 H new ATOM 0 HG21 VAL A 62 -2.531 1.483 -2.077 1.00 22.41 H new ATOM 0 HG22 VAL A 62 -2.780 2.755 -0.858 1.00 22.41 H new ATOM 0 HG23 VAL A 62 -4.138 2.221 -1.877 1.00 22.41 H new ATOM 1030 N ALA A 63 -3.820 5.839 -4.696 1.00 42.04 N ATOM 1031 CA ALA A 63 -3.681 6.883 -5.709 1.00 23.25 C ATOM 1032 C ALA A 63 -4.131 8.193 -5.130 1.00 62.32 C ATOM 1033 O ALA A 63 -3.517 9.205 -5.331 1.00 54.41 O ATOM 1034 CB ALA A 63 -4.481 6.554 -6.967 1.00 33.41 C ATOM 0 H ALA A 63 -4.483 5.104 -4.942 1.00 42.04 H new ATOM 0 HA ALA A 63 -2.633 6.948 -6.000 1.00 23.25 H new ATOM 0 HB1 ALA A 63 -4.354 7.352 -7.698 1.00 33.41 H new ATOM 0 HB2 ALA A 63 -4.124 5.615 -7.390 1.00 33.41 H new ATOM 0 HB3 ALA A 63 -5.537 6.460 -6.713 1.00 33.41 H new ATOM 1040 N ASN A 64 -5.205 8.122 -4.393 1.00 64.44 N ATOM 1041 CA ASN A 64 -5.791 9.235 -3.668 1.00 45.23 C ATOM 1042 C ASN A 64 -4.831 9.771 -2.579 1.00 33.03 C ATOM 1043 O ASN A 64 -4.661 10.978 -2.424 1.00 10.22 O ATOM 1044 CB ASN A 64 -7.104 8.744 -3.087 1.00 24.53 C ATOM 1045 CG ASN A 64 -7.754 9.631 -2.059 1.00 45.54 C ATOM 1046 OD1 ASN A 64 -7.658 10.853 -2.107 1.00 15.34 O ATOM 1047 ND2 ASN A 64 -8.418 9.007 -1.118 1.00 13.01 N ATOM 0 H ASN A 64 -5.724 7.253 -4.271 1.00 64.44 H new ATOM 0 HA ASN A 64 -5.971 10.079 -4.334 1.00 45.23 H new ATOM 0 HB2 ASN A 64 -7.807 8.599 -3.907 1.00 24.53 H new ATOM 0 HB3 ASN A 64 -6.934 7.766 -2.636 1.00 24.53 H new ATOM 0 HD21 ASN A 64 -8.883 9.540 -0.383 1.00 13.01 H new ATOM 0 HD22 ASN A 64 -8.470 7.988 -1.120 1.00 13.01 H new ATOM 1054 N LEU A 65 -4.202 8.864 -1.869 1.00 53.35 N ATOM 1055 CA LEU A 65 -3.233 9.145 -0.833 1.00 21.15 C ATOM 1056 C LEU A 65 -2.071 9.956 -1.453 1.00 51.40 C ATOM 1057 O LEU A 65 -1.723 11.046 -0.985 1.00 35.42 O ATOM 1058 CB LEU A 65 -2.694 7.787 -0.393 1.00 4.50 C ATOM 1059 CG LEU A 65 -2.279 7.535 1.025 1.00 12.13 C ATOM 1060 CD1 LEU A 65 -1.152 8.386 1.400 1.00 12.12 C ATOM 1061 CD2 LEU A 65 -3.400 7.654 2.005 1.00 71.43 C ATOM 0 H LEU A 65 -4.358 7.865 -2.003 1.00 53.35 H new ATOM 0 HA LEU A 65 -3.667 9.705 -0.005 1.00 21.15 H new ATOM 0 HB2 LEU A 65 -3.458 7.048 -0.636 1.00 4.50 H new ATOM 0 HB3 LEU A 65 -1.829 7.570 -1.020 1.00 4.50 H new ATOM 0 HG LEU A 65 -1.958 6.494 1.067 1.00 12.13 H new ATOM 0 HD11 LEU A 65 -0.871 8.183 2.433 1.00 12.12 H new ATOM 0 HD12 LEU A 65 -0.305 8.178 0.746 1.00 12.12 H new ATOM 0 HD13 LEU A 65 -1.438 9.433 1.301 1.00 12.12 H new ATOM 0 HD21 LEU A 65 -3.027 7.459 3.010 1.00 71.43 H new ATOM 0 HD22 LEU A 65 -3.816 8.661 1.961 1.00 71.43 H new ATOM 0 HD23 LEU A 65 -4.176 6.930 1.759 1.00 71.43 H new ATOM 1073 N PHE A 66 -1.518 9.428 -2.536 1.00 2.13 N ATOM 1074 CA PHE A 66 -0.354 10.017 -3.181 1.00 61.34 C ATOM 1075 C PHE A 66 -0.746 10.722 -4.474 1.00 22.10 C ATOM 1076 O PHE A 66 0.000 10.663 -5.449 1.00 34.23 O ATOM 1077 CB PHE A 66 0.669 8.919 -3.525 1.00 2.52 C ATOM 1078 CG PHE A 66 1.004 7.991 -2.391 1.00 72.12 C ATOM 1079 CD1 PHE A 66 1.505 8.478 -1.211 1.00 20.05 C ATOM 1080 CD2 PHE A 66 0.823 6.630 -2.517 1.00 35.21 C ATOM 1081 CE1 PHE A 66 1.816 7.633 -0.175 1.00 10.25 C ATOM 1082 CE2 PHE A 66 1.134 5.780 -1.482 1.00 4.11 C ATOM 1083 CZ PHE A 66 1.629 6.281 -0.312 1.00 1.41 C ATOM 0 H PHE A 66 -1.862 8.582 -2.991 1.00 2.13 H new ATOM 0 HA PHE A 66 0.079 10.739 -2.488 1.00 61.34 H new ATOM 0 HB2 PHE A 66 0.282 8.329 -4.356 1.00 2.52 H new ATOM 0 HB3 PHE A 66 1.587 9.393 -3.871 1.00 2.52 H new ATOM 0 HD1 PHE A 66 1.657 9.541 -1.095 1.00 20.05 H new ATOM 0 HD2 PHE A 66 0.432 6.227 -3.440 1.00 35.21 H new ATOM 0 HE1 PHE A 66 2.208 8.033 0.748 1.00 10.25 H new ATOM 0 HE2 PHE A 66 0.987 4.716 -1.594 1.00 4.11 H new ATOM 0 HZ PHE A 66 1.872 5.615 0.503 1.00 1.41 H new ATOM 1093 N ARG A 67 -1.883 11.414 -4.469 1.00 31.54 N ATOM 1094 CA ARG A 67 -2.369 12.118 -5.668 1.00 5.44 C ATOM 1095 C ARG A 67 -1.321 13.073 -6.253 1.00 54.32 C ATOM 1096 O ARG A 67 -0.973 14.104 -5.653 1.00 40.04 O ATOM 1097 CB ARG A 67 -3.709 12.850 -5.424 1.00 33.45 C ATOM 1098 CG ARG A 67 -4.924 11.973 -5.391 1.00 10.12 C ATOM 1099 CD ARG A 67 -5.220 11.404 -6.776 1.00 53.03 C ATOM 1100 NE ARG A 67 -6.431 10.566 -6.824 1.00 11.53 N ATOM 1101 CZ ARG A 67 -6.847 9.894 -7.914 1.00 33.14 C ATOM 1102 NH1 ARG A 67 -6.177 10.009 -9.063 1.00 74.32 N ATOM 1103 NH2 ARG A 67 -7.946 9.141 -7.858 1.00 41.51 N ATOM 0 H ARG A 67 -2.488 11.506 -3.653 1.00 31.54 H new ATOM 0 HA ARG A 67 -2.553 11.341 -6.410 1.00 5.44 H new ATOM 0 HB2 ARG A 67 -3.643 13.387 -4.477 1.00 33.45 H new ATOM 0 HB3 ARG A 67 -3.843 13.598 -6.206 1.00 33.45 H new ATOM 0 HG2 ARG A 67 -4.771 11.158 -4.683 1.00 10.12 H new ATOM 0 HG3 ARG A 67 -5.782 12.545 -5.037 1.00 10.12 H new ATOM 0 HD2 ARG A 67 -5.330 12.227 -7.482 1.00 53.03 H new ATOM 0 HD3 ARG A 67 -4.366 10.813 -7.107 1.00 53.03 H new ATOM 0 HE ARG A 67 -6.991 10.490 -5.975 1.00 11.53 H new ATOM 0 HH11 ARG A 67 -5.351 10.605 -9.114 1.00 74.32 H new ATOM 0 HH12 ARG A 67 -6.491 9.500 -9.890 1.00 74.32 H new ATOM 0 HH21 ARG A 67 -8.474 9.073 -6.988 1.00 41.51 H new ATOM 0 HH22 ARG A 67 -8.259 8.633 -8.685 1.00 41.51 H new ATOM 1117 N GLY A 68 -0.807 12.696 -7.402 1.00 0.13 N ATOM 1118 CA GLY A 68 0.186 13.465 -8.087 1.00 70.12 C ATOM 1119 C GLY A 68 1.438 12.657 -8.306 1.00 65.20 C ATOM 1120 O GLY A 68 2.047 12.707 -9.377 1.00 30.45 O ATOM 0 H GLY A 68 -1.074 11.838 -7.885 1.00 0.13 H new ATOM 0 HA2 GLY A 68 -0.207 13.801 -9.047 1.00 70.12 H new ATOM 0 HA3 GLY A 68 0.422 14.358 -7.509 1.00 70.12 H new ATOM 1124 N GLN A 69 1.808 11.894 -7.301 1.00 22.34 N ATOM 1125 CA GLN A 69 2.992 11.107 -7.312 1.00 55.22 C ATOM 1126 C GLN A 69 2.771 9.792 -8.036 1.00 73.45 C ATOM 1127 O GLN A 69 2.447 8.786 -7.413 1.00 64.01 O ATOM 1128 CB GLN A 69 3.433 10.818 -5.892 1.00 41.35 C ATOM 1129 CG GLN A 69 3.899 12.017 -5.087 1.00 42.04 C ATOM 1130 CD GLN A 69 2.876 13.056 -4.837 1.00 22.34 C ATOM 1131 OE1 GLN A 69 2.724 14.006 -5.601 1.00 74.24 O ATOM 1132 NE2 GLN A 69 2.178 12.899 -3.795 1.00 10.41 N ATOM 0 H GLN A 69 1.271 11.811 -6.438 1.00 22.34 H new ATOM 0 HA GLN A 69 3.762 11.672 -7.837 1.00 55.22 H new ATOM 0 HB2 GLN A 69 2.604 10.349 -5.363 1.00 41.35 H new ATOM 0 HB3 GLN A 69 4.243 10.089 -5.925 1.00 41.35 H new ATOM 0 HG2 GLN A 69 4.274 11.664 -4.127 1.00 42.04 H new ATOM 0 HG3 GLN A 69 4.739 12.477 -5.608 1.00 42.04 H new ATOM 0 HE21 GLN A 69 2.340 12.094 -3.189 1.00 10.41 H new ATOM 0 HE22 GLN A 69 1.453 13.577 -3.560 1.00 10.41 H new ATOM 1141 N GLU A 70 2.946 9.797 -9.334 1.00 22.14 N ATOM 1142 CA GLU A 70 2.713 8.614 -10.150 1.00 42.22 C ATOM 1143 C GLU A 70 3.715 7.525 -9.831 1.00 30.01 C ATOM 1144 O GLU A 70 3.367 6.355 -9.801 1.00 41.34 O ATOM 1145 CB GLU A 70 2.784 8.960 -11.617 1.00 30.12 C ATOM 1146 CG GLU A 70 1.729 9.935 -12.077 1.00 3.05 C ATOM 1147 CD GLU A 70 1.984 10.401 -13.476 1.00 44.52 C ATOM 1148 OE1 GLU A 70 1.730 9.640 -14.430 1.00 64.52 O ATOM 1149 OE2 GLU A 70 2.483 11.539 -13.645 1.00 34.23 O ATOM 0 H GLU A 70 3.253 10.615 -9.861 1.00 22.14 H new ATOM 0 HA GLU A 70 1.714 8.243 -9.919 1.00 42.22 H new ATOM 0 HB2 GLU A 70 3.767 9.378 -11.832 1.00 30.12 H new ATOM 0 HB3 GLU A 70 2.693 8.043 -12.199 1.00 30.12 H new ATOM 0 HG2 GLU A 70 0.748 9.463 -12.023 1.00 3.05 H new ATOM 0 HG3 GLU A 70 1.707 10.793 -11.405 1.00 3.05 H new ATOM 1156 N ASP A 71 4.947 7.926 -9.553 1.00 14.12 N ATOM 1157 CA ASP A 71 6.026 6.983 -9.238 1.00 4.31 C ATOM 1158 C ASP A 71 5.686 6.126 -8.040 1.00 10.02 C ATOM 1159 O ASP A 71 5.887 4.906 -8.059 1.00 71.12 O ATOM 1160 CB ASP A 71 7.359 7.682 -9.006 1.00 60.14 C ATOM 1161 CG ASP A 71 7.957 8.294 -10.248 1.00 10.41 C ATOM 1162 OD1 ASP A 71 8.577 7.556 -11.044 1.00 62.31 O ATOM 1163 OD2 ASP A 71 7.847 9.525 -10.435 1.00 20.22 O ATOM 0 H ASP A 71 5.232 8.905 -9.538 1.00 14.12 H new ATOM 0 HA ASP A 71 6.128 6.342 -10.113 1.00 4.31 H new ATOM 0 HB2 ASP A 71 7.222 8.463 -8.258 1.00 60.14 H new ATOM 0 HB3 ASP A 71 8.066 6.964 -8.591 1.00 60.14 H new ATOM 1168 N LEU A 72 5.115 6.751 -7.018 1.00 55.31 N ATOM 1169 CA LEU A 72 4.726 6.037 -5.811 1.00 33.12 C ATOM 1170 C LEU A 72 3.605 5.044 -6.112 1.00 31.23 C ATOM 1171 O LEU A 72 3.570 3.939 -5.574 1.00 31.44 O ATOM 1172 CB LEU A 72 4.293 7.002 -4.688 1.00 31.24 C ATOM 1173 CG LEU A 72 5.383 7.910 -4.080 1.00 21.13 C ATOM 1174 CD1 LEU A 72 4.761 8.873 -3.088 1.00 54.52 C ATOM 1175 CD2 LEU A 72 6.445 7.085 -3.367 1.00 71.42 C ATOM 0 H LEU A 72 4.912 7.750 -7.002 1.00 55.31 H new ATOM 0 HA LEU A 72 5.602 5.491 -5.461 1.00 33.12 H new ATOM 0 HB2 LEU A 72 3.500 7.640 -5.078 1.00 31.24 H new ATOM 0 HB3 LEU A 72 3.858 6.410 -3.883 1.00 31.24 H new ATOM 0 HG LEU A 72 5.851 8.463 -4.894 1.00 21.13 H new ATOM 0 HD11 LEU A 72 5.537 9.510 -2.664 1.00 54.52 H new ATOM 0 HD12 LEU A 72 4.021 9.492 -3.596 1.00 54.52 H new ATOM 0 HD13 LEU A 72 4.277 8.311 -2.290 1.00 54.52 H new ATOM 0 HD21 LEU A 72 7.201 7.749 -2.948 1.00 71.42 H new ATOM 0 HD22 LEU A 72 5.982 6.510 -2.565 1.00 71.42 H new ATOM 0 HD23 LEU A 72 6.914 6.404 -4.077 1.00 71.42 H new ATOM 1187 N LEU A 73 2.730 5.427 -7.006 1.00 31.24 N ATOM 1188 CA LEU A 73 1.582 4.612 -7.373 1.00 64.45 C ATOM 1189 C LEU A 73 2.045 3.419 -8.207 1.00 71.24 C ATOM 1190 O LEU A 73 1.627 2.278 -7.973 1.00 23.44 O ATOM 1191 CB LEU A 73 0.576 5.473 -8.154 1.00 12.11 C ATOM 1192 CG LEU A 73 0.192 6.800 -7.484 1.00 1.30 C ATOM 1193 CD1 LEU A 73 -0.793 7.600 -8.295 1.00 53.54 C ATOM 1194 CD2 LEU A 73 -0.325 6.589 -6.090 1.00 72.31 C ATOM 0 H LEU A 73 2.787 6.314 -7.506 1.00 31.24 H new ATOM 0 HA LEU A 73 1.092 4.233 -6.476 1.00 64.45 H new ATOM 0 HB2 LEU A 73 0.993 5.689 -9.138 1.00 12.11 H new ATOM 0 HB3 LEU A 73 -0.331 4.889 -8.313 1.00 12.11 H new ATOM 0 HG LEU A 73 1.112 7.382 -7.427 1.00 1.30 H new ATOM 0 HD11 LEU A 73 -1.027 8.527 -7.772 1.00 53.54 H new ATOM 0 HD12 LEU A 73 -0.360 7.832 -9.268 1.00 53.54 H new ATOM 0 HD13 LEU A 73 -1.706 7.021 -8.433 1.00 53.54 H new ATOM 0 HD21 LEU A 73 -0.586 7.551 -5.649 1.00 72.31 H new ATOM 0 HD22 LEU A 73 -1.209 5.953 -6.122 1.00 72.31 H new ATOM 0 HD23 LEU A 73 0.445 6.110 -5.485 1.00 72.31 H new ATOM 1206 N SER A 74 2.943 3.688 -9.139 1.00 41.54 N ATOM 1207 CA SER A 74 3.500 2.671 -10.002 1.00 45.41 C ATOM 1208 C SER A 74 4.239 1.598 -9.186 1.00 71.54 C ATOM 1209 O SER A 74 3.971 0.398 -9.329 1.00 42.12 O ATOM 1210 CB SER A 74 4.446 3.324 -11.008 1.00 24.03 C ATOM 1211 OG SER A 74 3.770 4.324 -11.765 1.00 11.21 O ATOM 0 H SER A 74 3.306 4.625 -9.316 1.00 41.54 H new ATOM 0 HA SER A 74 2.687 2.178 -10.536 1.00 45.41 H new ATOM 0 HB2 SER A 74 5.291 3.769 -10.483 1.00 24.03 H new ATOM 0 HB3 SER A 74 4.850 2.566 -11.678 1.00 24.03 H new ATOM 0 HG SER A 74 3.598 5.104 -11.197 1.00 11.21 H new ATOM 1217 N GLU A 75 5.127 2.034 -8.291 1.00 62.52 N ATOM 1218 CA GLU A 75 5.904 1.103 -7.485 1.00 73.34 C ATOM 1219 C GLU A 75 5.033 0.331 -6.505 1.00 12.43 C ATOM 1220 O GLU A 75 5.337 -0.820 -6.173 1.00 2.00 O ATOM 1221 CB GLU A 75 7.045 1.802 -6.775 1.00 40.43 C ATOM 1222 CG GLU A 75 8.053 2.400 -7.729 1.00 40.31 C ATOM 1223 CD GLU A 75 9.218 2.999 -7.016 1.00 45.44 C ATOM 1224 OE1 GLU A 75 10.157 2.259 -6.675 1.00 21.30 O ATOM 1225 OE2 GLU A 75 9.223 4.221 -6.775 1.00 31.02 O ATOM 0 H GLU A 75 5.322 3.019 -8.110 1.00 62.52 H new ATOM 0 HA GLU A 75 6.337 0.375 -8.171 1.00 73.34 H new ATOM 0 HB2 GLU A 75 6.642 2.590 -6.139 1.00 40.43 H new ATOM 0 HB3 GLU A 75 7.549 1.091 -6.121 1.00 40.43 H new ATOM 0 HG2 GLU A 75 8.406 1.628 -8.413 1.00 40.31 H new ATOM 0 HG3 GLU A 75 7.568 3.165 -8.335 1.00 40.31 H new ATOM 1232 N PHE A 76 3.948 0.952 -6.067 1.00 74.23 N ATOM 1233 CA PHE A 76 2.988 0.296 -5.197 1.00 24.51 C ATOM 1234 C PHE A 76 2.392 -0.911 -5.919 1.00 25.04 C ATOM 1235 O PHE A 76 2.407 -2.031 -5.400 1.00 55.43 O ATOM 1236 CB PHE A 76 1.883 1.283 -4.788 1.00 43.34 C ATOM 1237 CG PHE A 76 0.811 0.692 -3.925 1.00 35.44 C ATOM 1238 CD1 PHE A 76 1.014 0.509 -2.568 1.00 15.54 C ATOM 1239 CD2 PHE A 76 -0.392 0.308 -4.478 1.00 11.31 C ATOM 1240 CE1 PHE A 76 0.027 -0.044 -1.777 1.00 54.34 C ATOM 1241 CE2 PHE A 76 -1.383 -0.248 -3.699 1.00 44.44 C ATOM 1242 CZ PHE A 76 -1.172 -0.426 -2.343 1.00 11.13 C ATOM 0 H PHE A 76 3.711 1.916 -6.303 1.00 74.23 H new ATOM 0 HA PHE A 76 3.491 -0.045 -4.292 1.00 24.51 H new ATOM 0 HB2 PHE A 76 2.338 2.120 -4.258 1.00 43.34 H new ATOM 0 HB3 PHE A 76 1.424 1.689 -5.689 1.00 43.34 H new ATOM 0 HD1 PHE A 76 1.954 0.802 -2.124 1.00 15.54 H new ATOM 0 HD2 PHE A 76 -0.560 0.445 -5.536 1.00 11.31 H new ATOM 0 HE1 PHE A 76 0.193 -0.177 -0.718 1.00 54.34 H new ATOM 0 HE2 PHE A 76 -2.321 -0.544 -4.145 1.00 44.44 H new ATOM 0 HZ PHE A 76 -1.945 -0.863 -1.728 1.00 11.13 H new