USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 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 25:sc= 0.0681 USER MOD Single : A 13 TYR OH : rot -73:sc= 0.632 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= 1.18 (180deg=0.993) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 90:sc= 0.296 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= -0.674 USER MOD Single : A 30 SER OG : rot 66:sc= 1 USER MOD Single : A 36 HIS : no HD1:sc= -0.0148 X(o=-0.015,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 K(o=0,f=-0.53) USER MOD Single : A 60 THR OG1 : rot 61:sc= 1.22 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.464 K(o=-0.46,f=-2.1!) USER MOD Single : A 74 SER OG : rot 75:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.227 1.305 0.189 1.00 30.14 N ATOM 159 CA SER A 12 12.499 2.545 -0.521 1.00 22.44 C ATOM 160 C SER A 12 11.197 3.273 -0.782 1.00 4.31 C ATOM 161 O SER A 12 11.111 4.475 -0.606 1.00 62.30 O ATOM 162 CB SER A 12 13.228 2.263 -1.830 1.00 62.01 C ATOM 163 OG SER A 12 14.457 1.582 -1.590 1.00 60.44 O ATOM 0 HA SER A 12 13.142 3.175 0.093 1.00 22.44 H new ATOM 0 HB2 SER A 12 12.595 1.661 -2.481 1.00 62.01 H new ATOM 0 HB3 SER A 12 13.422 3.200 -2.352 1.00 62.01 H new ATOM 0 HG SER A 12 14.400 1.092 -0.743 1.00 60.44 H new ATOM 169 N TYR A 13 10.187 2.504 -1.156 1.00 61.23 N ATOM 170 CA TYR A 13 8.847 2.995 -1.362 1.00 31.45 C ATOM 171 C TYR A 13 8.334 3.642 -0.070 1.00 40.54 C ATOM 172 O TYR A 13 7.952 4.807 -0.062 1.00 74.44 O ATOM 173 CB TYR A 13 7.963 1.804 -1.803 1.00 41.33 C ATOM 174 CG TYR A 13 6.471 2.043 -1.866 1.00 50.31 C ATOM 175 CD1 TYR A 13 5.899 2.785 -2.884 1.00 63.54 C ATOM 176 CD2 TYR A 13 5.629 1.492 -0.904 1.00 73.35 C ATOM 177 CE1 TYR A 13 4.532 2.978 -2.939 1.00 14.04 C ATOM 178 CE2 TYR A 13 4.266 1.678 -0.957 1.00 54.23 C ATOM 179 CZ TYR A 13 3.723 2.420 -1.975 1.00 53.42 C ATOM 180 OH TYR A 13 2.366 2.603 -2.032 1.00 72.35 O ATOM 0 H TYR A 13 10.285 1.503 -1.326 1.00 61.23 H new ATOM 0 HA TYR A 13 8.821 3.759 -2.139 1.00 31.45 H new ATOM 0 HB2 TYR A 13 8.296 1.482 -2.789 1.00 41.33 H new ATOM 0 HB3 TYR A 13 8.145 0.975 -1.119 1.00 41.33 H new ATOM 0 HD1 TYR A 13 6.529 3.219 -3.646 1.00 63.54 H new ATOM 0 HD2 TYR A 13 6.053 0.908 -0.101 1.00 73.35 H new ATOM 0 HE1 TYR A 13 4.099 3.565 -3.736 1.00 14.04 H new ATOM 0 HE2 TYR A 13 3.628 1.243 -0.202 1.00 54.23 H new ATOM 0 HH TYR A 13 2.149 3.525 -1.779 1.00 72.35 H new ATOM 190 N VAL A 14 8.405 2.899 1.022 1.00 41.24 N ATOM 191 CA VAL A 14 7.921 3.358 2.314 1.00 40.44 C ATOM 192 C VAL A 14 8.733 4.549 2.871 1.00 20.31 C ATOM 193 O VAL A 14 8.154 5.536 3.321 1.00 10.31 O ATOM 194 CB VAL A 14 7.851 2.208 3.356 1.00 1.12 C ATOM 195 CG1 VAL A 14 7.396 2.736 4.700 1.00 3.13 C ATOM 196 CG2 VAL A 14 6.898 1.119 2.884 1.00 32.31 C ATOM 0 H VAL A 14 8.800 1.959 1.038 1.00 41.24 H new ATOM 0 HA VAL A 14 6.906 3.714 2.136 1.00 40.44 H new ATOM 0 HB VAL A 14 8.850 1.785 3.462 1.00 1.12 H new ATOM 0 HG11 VAL A 14 7.353 1.916 5.417 1.00 3.13 H new ATOM 0 HG12 VAL A 14 8.100 3.490 5.052 1.00 3.13 H new ATOM 0 HG13 VAL A 14 6.407 3.183 4.600 1.00 3.13 H new ATOM 0 HG21 VAL A 14 6.861 0.321 3.626 1.00 32.31 H new ATOM 0 HG22 VAL A 14 5.901 1.540 2.753 1.00 32.31 H new ATOM 0 HG23 VAL A 14 7.249 0.715 1.934 1.00 32.31 H new ATOM 206 N ASN A 15 10.057 4.456 2.835 1.00 13.34 N ATOM 207 CA ASN A 15 10.948 5.503 3.327 1.00 2.43 C ATOM 208 C ASN A 15 10.709 6.805 2.580 1.00 72.04 C ATOM 209 O ASN A 15 10.794 7.910 3.152 1.00 24.22 O ATOM 210 CB ASN A 15 12.394 5.084 3.111 1.00 1.14 C ATOM 211 CG ASN A 15 13.352 5.919 3.909 1.00 24.45 C ATOM 212 OD1 ASN A 15 13.845 6.957 3.459 1.00 32.41 O ATOM 213 ND2 ASN A 15 13.626 5.485 5.094 1.00 32.12 N ATOM 0 H ASN A 15 10.548 3.644 2.460 1.00 13.34 H new ATOM 0 HA ASN A 15 10.748 5.652 4.388 1.00 2.43 H new ATOM 0 HB2 ASN A 15 12.512 4.036 3.387 1.00 1.14 H new ATOM 0 HB3 ASN A 15 12.639 5.165 2.052 1.00 1.14 H new ATOM 0 HD21 ASN A 15 14.269 6.005 5.691 1.00 32.12 H new ATOM 0 HD22 ASN A 15 13.199 4.623 5.433 1.00 32.12 H new ATOM 220 N LYS A 16 10.405 6.669 1.314 1.00 72.12 N ATOM 221 CA LYS A 16 10.130 7.777 0.469 1.00 74.34 C ATOM 222 C LYS A 16 8.823 8.415 0.916 1.00 2.44 C ATOM 223 O LYS A 16 8.768 9.617 1.103 1.00 42.32 O ATOM 224 CB LYS A 16 10.073 7.285 -0.960 1.00 63.43 C ATOM 225 CG LYS A 16 10.172 8.335 -2.011 1.00 71.43 C ATOM 226 CD LYS A 16 10.361 7.662 -3.350 1.00 23.25 C ATOM 227 CE LYS A 16 10.734 8.634 -4.428 1.00 63.11 C ATOM 228 NZ LYS A 16 11.065 7.935 -5.673 1.00 61.00 N ATOM 0 H LYS A 16 10.344 5.765 0.845 1.00 72.12 H new ATOM 0 HA LYS A 16 10.909 8.537 0.531 1.00 74.34 H new ATOM 0 HB2 LYS A 16 10.881 6.569 -1.111 1.00 63.43 H new ATOM 0 HB3 LYS A 16 9.138 6.743 -1.101 1.00 63.43 H new ATOM 0 HG2 LYS A 16 9.270 8.947 -2.020 1.00 71.43 H new ATOM 0 HG3 LYS A 16 11.008 9.002 -1.802 1.00 71.43 H new ATOM 0 HD2 LYS A 16 11.137 6.901 -3.265 1.00 23.25 H new ATOM 0 HD3 LYS A 16 9.441 7.149 -3.629 1.00 23.25 H new ATOM 0 HE2 LYS A 16 9.908 9.324 -4.602 1.00 63.11 H new ATOM 0 HE3 LYS A 16 11.586 9.232 -4.105 1.00 63.11 H new ATOM 0 HZ1 LYS A 16 10.907 8.571 -6.481 1.00 61.00 H new ATOM 0 HZ2 LYS A 16 12.063 7.643 -5.653 1.00 61.00 H new ATOM 0 HZ3 LYS A 16 10.460 7.094 -5.770 1.00 61.00 H new ATOM 242 N ILE A 17 7.800 7.580 1.162 1.00 11.53 N ATOM 243 CA ILE A 17 6.515 8.028 1.687 1.00 52.11 C ATOM 244 C ILE A 17 6.734 8.808 2.986 1.00 13.54 C ATOM 245 O ILE A 17 6.206 9.908 3.156 1.00 33.23 O ATOM 246 CB ILE A 17 5.596 6.826 2.028 1.00 72.21 C ATOM 247 CG1 ILE A 17 5.307 5.952 0.812 1.00 31.20 C ATOM 248 CG2 ILE A 17 4.309 7.315 2.633 1.00 35.44 C ATOM 249 CD1 ILE A 17 4.513 4.703 1.151 1.00 72.31 C ATOM 0 H ILE A 17 7.849 6.574 0.999 1.00 11.53 H new ATOM 0 HA ILE A 17 6.048 8.647 0.921 1.00 52.11 H new ATOM 0 HB ILE A 17 6.128 6.207 2.750 1.00 72.21 H new ATOM 0 HG12 ILE A 17 4.756 6.536 0.075 1.00 31.20 H new ATOM 0 HG13 ILE A 17 6.250 5.661 0.349 1.00 31.20 H new ATOM 0 HG21 ILE A 17 3.671 6.463 2.869 1.00 35.44 H new ATOM 0 HG22 ILE A 17 4.524 7.871 3.546 1.00 35.44 H new ATOM 0 HG23 ILE A 17 3.798 7.966 1.924 1.00 35.44 H new ATOM 0 HD11 ILE A 17 4.340 4.124 0.244 1.00 72.31 H new ATOM 0 HD12 ILE A 17 5.072 4.099 1.866 1.00 72.31 H new ATOM 0 HD13 ILE A 17 3.556 4.988 1.587 1.00 72.31 H new ATOM 261 N LYS A 18 7.536 8.216 3.883 1.00 43.02 N ATOM 262 CA LYS A 18 7.866 8.798 5.192 1.00 61.25 C ATOM 263 C LYS A 18 8.309 10.239 5.048 1.00 73.24 C ATOM 264 O LYS A 18 7.837 11.101 5.752 1.00 41.00 O ATOM 265 CB LYS A 18 9.008 8.019 5.879 1.00 52.41 C ATOM 266 CG LYS A 18 8.709 6.615 6.248 1.00 31.11 C ATOM 267 CD LYS A 18 9.868 6.008 6.996 1.00 14.12 C ATOM 268 CE LYS A 18 9.649 4.541 7.173 1.00 44.14 C ATOM 269 NZ LYS A 18 10.695 3.911 7.989 1.00 11.22 N ATOM 0 H LYS A 18 7.978 7.311 3.719 1.00 43.02 H new ATOM 0 HA LYS A 18 6.961 8.741 5.797 1.00 61.25 H new ATOM 0 HB2 LYS A 18 9.873 8.023 5.216 1.00 52.41 H new ATOM 0 HB3 LYS A 18 9.296 8.557 6.782 1.00 52.41 H new ATOM 0 HG2 LYS A 18 7.811 6.578 6.865 1.00 31.11 H new ATOM 0 HG3 LYS A 18 8.503 6.033 5.350 1.00 31.11 H new ATOM 0 HD2 LYS A 18 10.795 6.182 6.450 1.00 14.12 H new ATOM 0 HD3 LYS A 18 9.975 6.488 7.969 1.00 14.12 H new ATOM 0 HE2 LYS A 18 8.679 4.376 7.641 1.00 44.14 H new ATOM 0 HE3 LYS A 18 9.617 4.061 6.195 1.00 44.14 H new ATOM 0 HZ1 LYS A 18 10.497 2.894 8.082 1.00 11.22 H new ATOM 0 HZ2 LYS A 18 11.619 4.044 7.531 1.00 11.22 H new ATOM 0 HZ3 LYS A 18 10.710 4.348 8.932 1.00 11.22 H new ATOM 283 N THR A 19 9.211 10.445 4.126 1.00 14.23 N ATOM 284 CA THR A 19 9.823 11.698 3.803 1.00 21.15 C ATOM 285 C THR A 19 8.864 12.648 3.032 1.00 1.13 C ATOM 286 O THR A 19 8.737 13.822 3.356 1.00 12.32 O ATOM 287 CB THR A 19 11.029 11.324 2.934 1.00 25.32 C ATOM 288 OG1 THR A 19 12.030 10.622 3.690 1.00 20.31 O ATOM 289 CG2 THR A 19 11.586 12.472 2.142 1.00 1.34 C ATOM 0 H THR A 19 9.559 9.685 3.542 1.00 14.23 H new ATOM 0 HA THR A 19 10.100 12.245 4.704 1.00 21.15 H new ATOM 0 HB THR A 19 10.655 10.631 2.180 1.00 25.32 H new ATOM 0 HG1 THR A 19 11.850 9.659 3.657 1.00 20.31 H new ATOM 0 HG21 THR A 19 12.436 12.129 1.553 1.00 1.34 H new ATOM 0 HG22 THR A 19 10.816 12.862 1.476 1.00 1.34 H new ATOM 0 HG23 THR A 19 11.910 13.260 2.822 1.00 1.34 H new ATOM 297 N ARG A 20 8.204 12.123 2.044 1.00 64.34 N ATOM 298 CA ARG A 20 7.340 12.901 1.170 1.00 44.31 C ATOM 299 C ARG A 20 6.119 13.420 1.882 1.00 40.32 C ATOM 300 O ARG A 20 5.515 14.409 1.475 1.00 1.32 O ATOM 301 CB ARG A 20 6.965 12.045 -0.006 1.00 33.42 C ATOM 302 CG ARG A 20 8.128 11.811 -0.947 1.00 1.23 C ATOM 303 CD ARG A 20 8.473 13.048 -1.738 1.00 54.02 C ATOM 304 NE ARG A 20 9.545 12.776 -2.689 1.00 3.31 N ATOM 305 CZ ARG A 20 9.743 13.435 -3.827 1.00 20.43 C ATOM 306 NH1 ARG A 20 8.943 14.433 -4.169 1.00 42.20 N ATOM 307 NH2 ARG A 20 10.752 13.096 -4.616 1.00 53.44 N ATOM 0 H ARG A 20 8.242 11.131 1.809 1.00 64.34 H new ATOM 0 HA ARG A 20 7.882 13.784 0.832 1.00 44.31 H new ATOM 0 HB2 ARG A 20 6.592 11.085 0.352 1.00 33.42 H new ATOM 0 HB3 ARG A 20 6.150 12.520 -0.552 1.00 33.42 H new ATOM 0 HG2 ARG A 20 8.999 11.492 -0.374 1.00 1.23 H new ATOM 0 HG3 ARG A 20 7.882 10.999 -1.632 1.00 1.23 H new ATOM 0 HD2 ARG A 20 7.590 13.402 -2.271 1.00 54.02 H new ATOM 0 HD3 ARG A 20 8.777 13.845 -1.060 1.00 54.02 H new ATOM 0 HE ARG A 20 10.193 12.022 -2.464 1.00 3.31 H new ATOM 0 HH11 ARG A 20 8.171 14.700 -3.559 1.00 42.20 H new ATOM 0 HH12 ARG A 20 9.099 14.935 -5.043 1.00 42.20 H new ATOM 0 HH21 ARG A 20 11.373 12.332 -4.350 1.00 53.44 H new ATOM 0 HH22 ARG A 20 10.907 13.599 -5.490 1.00 53.44 H new ATOM 321 N PHE A 21 5.760 12.754 2.920 1.00 53.10 N ATOM 322 CA PHE A 21 4.640 13.121 3.717 1.00 35.24 C ATOM 323 C PHE A 21 5.127 13.244 5.142 1.00 51.14 C ATOM 324 O PHE A 21 4.414 12.960 6.094 1.00 74.12 O ATOM 325 CB PHE A 21 3.546 12.056 3.572 1.00 20.31 C ATOM 326 CG PHE A 21 3.107 11.848 2.137 1.00 31.14 C ATOM 327 CD1 PHE A 21 2.080 12.595 1.593 1.00 75.33 C ATOM 328 CD2 PHE A 21 3.732 10.905 1.335 1.00 2.13 C ATOM 329 CE1 PHE A 21 1.686 12.407 0.282 1.00 55.11 C ATOM 330 CE2 PHE A 21 3.349 10.712 0.037 1.00 42.54 C ATOM 331 CZ PHE A 21 2.322 11.463 -0.497 1.00 51.31 C ATOM 0 H PHE A 21 6.246 11.920 3.248 1.00 53.10 H new ATOM 0 HA PHE A 21 4.208 14.071 3.402 1.00 35.24 H new ATOM 0 HB2 PHE A 21 3.911 11.111 3.975 1.00 20.31 H new ATOM 0 HB3 PHE A 21 2.683 12.346 4.172 1.00 20.31 H new ATOM 0 HD1 PHE A 21 1.579 13.335 2.200 1.00 75.33 H new ATOM 0 HD2 PHE A 21 4.537 10.312 1.744 1.00 2.13 H new ATOM 0 HE1 PHE A 21 0.882 12.998 -0.132 1.00 55.11 H new ATOM 0 HE2 PHE A 21 3.850 9.972 -0.570 1.00 42.54 H new ATOM 0 HZ PHE A 21 2.017 11.312 -1.522 1.00 51.31 H new ATOM 341 N LEU A 22 6.358 13.720 5.270 1.00 1.23 N ATOM 342 CA LEU A 22 7.036 13.857 6.547 1.00 11.23 C ATOM 343 C LEU A 22 6.328 14.891 7.407 1.00 43.41 C ATOM 344 O LEU A 22 6.230 14.758 8.623 1.00 62.41 O ATOM 345 CB LEU A 22 8.505 14.254 6.294 1.00 64.02 C ATOM 346 CG LEU A 22 9.585 13.413 6.936 1.00 74.35 C ATOM 347 CD1 LEU A 22 10.963 13.979 6.649 1.00 60.12 C ATOM 348 CD2 LEU A 22 9.352 13.308 8.385 1.00 52.00 C ATOM 0 H LEU A 22 6.920 14.026 4.476 1.00 1.23 H new ATOM 0 HA LEU A 22 7.014 12.909 7.084 1.00 11.23 H new ATOM 0 HB2 LEU A 22 8.672 14.248 5.217 1.00 64.02 H new ATOM 0 HB3 LEU A 22 8.637 15.282 6.631 1.00 64.02 H new ATOM 0 HG LEU A 22 9.543 12.413 6.504 1.00 74.35 H new ATOM 0 HD11 LEU A 22 11.719 13.354 7.123 1.00 60.12 H new ATOM 0 HD12 LEU A 22 11.131 13.998 5.572 1.00 60.12 H new ATOM 0 HD13 LEU A 22 11.030 14.992 7.045 1.00 60.12 H new ATOM 0 HD21 LEU A 22 10.136 12.700 8.836 1.00 52.00 H new ATOM 0 HD22 LEU A 22 9.364 14.304 8.829 1.00 52.00 H new ATOM 0 HD23 LEU A 22 8.383 12.842 8.565 1.00 52.00 H new ATOM 360 N ASP A 23 5.801 15.890 6.756 1.00 64.20 N ATOM 361 CA ASP A 23 5.083 16.957 7.413 1.00 1.53 C ATOM 362 C ASP A 23 3.641 16.607 7.626 1.00 25.30 C ATOM 363 O ASP A 23 2.915 17.323 8.321 1.00 43.51 O ATOM 364 CB ASP A 23 5.160 18.228 6.592 1.00 11.01 C ATOM 365 CG ASP A 23 6.475 18.939 6.714 1.00 32.25 C ATOM 366 OD1 ASP A 23 7.509 18.383 6.307 1.00 14.45 O ATOM 367 OD2 ASP A 23 6.500 20.080 7.240 1.00 30.05 O ATOM 0 H ASP A 23 5.856 15.992 5.743 1.00 64.20 H new ATOM 0 HA ASP A 23 5.553 17.109 8.384 1.00 1.53 H new ATOM 0 HB2 ASP A 23 4.983 17.986 5.544 1.00 11.01 H new ATOM 0 HB3 ASP A 23 4.361 18.901 6.903 1.00 11.01 H new ATOM 372 N HIS A 24 3.217 15.514 7.055 1.00 34.11 N ATOM 373 CA HIS A 24 1.831 15.122 7.111 1.00 43.34 C ATOM 374 C HIS A 24 1.710 13.674 7.594 1.00 74.41 C ATOM 375 O HIS A 24 1.519 12.754 6.787 1.00 71.31 O ATOM 376 CB HIS A 24 1.189 15.266 5.731 1.00 51.02 C ATOM 377 CG HIS A 24 1.287 16.614 5.113 1.00 64.13 C ATOM 378 ND1 HIS A 24 0.732 17.771 5.617 1.00 50.15 N ATOM 379 CD2 HIS A 24 1.925 16.961 4.008 1.00 61.41 C ATOM 380 CE1 HIS A 24 1.058 18.771 4.801 1.00 15.44 C ATOM 381 NE2 HIS A 24 1.793 18.329 3.793 1.00 45.12 N ATOM 0 H HIS A 24 3.817 14.870 6.539 1.00 34.11 H new ATOM 0 HA HIS A 24 1.311 15.773 7.814 1.00 43.34 H new ATOM 0 HB2 HIS A 24 1.651 14.543 5.058 1.00 51.02 H new ATOM 0 HB3 HIS A 24 0.135 14.999 5.811 1.00 51.02 H new ATOM 0 HD2 HIS A 24 2.468 16.283 3.367 1.00 61.41 H new ATOM 0 HE1 HIS A 24 0.763 19.800 4.942 1.00 15.44 H new ATOM 0 HE2 HIS A 24 2.180 18.875 3.023 1.00 45.12 H new ATOM 389 N PRO A 25 1.839 13.445 8.915 1.00 34.41 N ATOM 390 CA PRO A 25 1.831 12.097 9.497 1.00 3.42 C ATOM 391 C PRO A 25 0.544 11.317 9.227 1.00 54.32 C ATOM 392 O PRO A 25 0.574 10.083 9.121 1.00 3.41 O ATOM 393 CB PRO A 25 1.993 12.351 11.000 1.00 21.21 C ATOM 394 CG PRO A 25 2.607 13.697 11.090 1.00 55.52 C ATOM 395 CD PRO A 25 2.021 14.475 9.959 1.00 54.42 C ATOM 0 HA PRO A 25 2.616 11.481 9.059 1.00 3.42 H new ATOM 0 HB2 PRO A 25 1.032 12.319 11.513 1.00 21.21 H new ATOM 0 HB3 PRO A 25 2.627 11.595 11.463 1.00 21.21 H new ATOM 0 HG2 PRO A 25 2.384 14.167 12.048 1.00 55.52 H new ATOM 0 HG3 PRO A 25 3.692 13.640 11.007 1.00 55.52 H new ATOM 0 HD2 PRO A 25 1.076 14.942 10.236 1.00 54.42 H new ATOM 0 HD3 PRO A 25 2.686 15.273 9.629 1.00 54.42 H new ATOM 403 N GLU A 26 -0.581 12.024 9.079 1.00 0.51 N ATOM 404 CA GLU A 26 -1.847 11.374 8.879 1.00 43.25 C ATOM 405 C GLU A 26 -1.880 10.572 7.580 1.00 35.35 C ATOM 406 O GLU A 26 -2.407 9.489 7.562 1.00 14.14 O ATOM 407 CB GLU A 26 -3.019 12.352 8.901 1.00 72.43 C ATOM 408 CG GLU A 26 -3.053 13.301 7.736 1.00 11.10 C ATOM 409 CD GLU A 26 -4.360 14.036 7.617 1.00 72.14 C ATOM 410 OE1 GLU A 26 -5.290 13.507 6.955 1.00 44.14 O ATOM 411 OE2 GLU A 26 -4.482 15.163 8.145 1.00 73.04 O ATOM 0 H GLU A 26 -0.624 13.043 9.096 1.00 0.51 H new ATOM 0 HA GLU A 26 -1.958 10.689 9.720 1.00 43.25 H new ATOM 0 HB2 GLU A 26 -3.950 11.785 8.921 1.00 72.43 H new ATOM 0 HB3 GLU A 26 -2.978 12.930 9.824 1.00 72.43 H new ATOM 0 HG2 GLU A 26 -2.244 14.024 7.839 1.00 11.10 H new ATOM 0 HG3 GLU A 26 -2.869 12.746 6.816 1.00 11.10 H new ATOM 418 N ILE A 27 -1.249 11.094 6.525 1.00 61.12 N ATOM 419 CA ILE A 27 -1.301 10.481 5.196 1.00 1.31 C ATOM 420 C ILE A 27 -0.602 9.140 5.212 1.00 2.11 C ATOM 421 O ILE A 27 -1.090 8.159 4.650 1.00 71.41 O ATOM 422 CB ILE A 27 -0.681 11.419 4.140 1.00 35.22 C ATOM 423 CG1 ILE A 27 -1.403 12.766 4.216 1.00 44.22 C ATOM 424 CG2 ILE A 27 -0.812 10.816 2.727 1.00 34.32 C ATOM 425 CD1 ILE A 27 -0.895 13.789 3.256 1.00 4.21 C ATOM 0 H ILE A 27 -0.692 11.947 6.567 1.00 61.12 H new ATOM 0 HA ILE A 27 -2.344 10.319 4.925 1.00 1.31 H new ATOM 0 HB ILE A 27 0.382 11.551 4.342 1.00 35.22 H new ATOM 0 HG12 ILE A 27 -2.465 12.607 4.031 1.00 44.22 H new ATOM 0 HG13 ILE A 27 -1.311 13.158 5.229 1.00 44.22 H new ATOM 0 HG21 ILE A 27 -0.368 11.495 1.999 1.00 34.32 H new ATOM 0 HG22 ILE A 27 -0.295 9.857 2.691 1.00 34.32 H new ATOM 0 HG23 ILE A 27 -1.866 10.669 2.490 1.00 34.32 H new ATOM 0 HD11 ILE A 27 -1.461 14.713 3.376 1.00 4.21 H new ATOM 0 HD12 ILE A 27 0.160 13.981 3.453 1.00 4.21 H new ATOM 0 HD13 ILE A 27 -1.012 13.421 2.237 1.00 4.21 H new ATOM 437 N TYR A 28 0.495 9.095 5.944 1.00 62.24 N ATOM 438 CA TYR A 28 1.278 7.885 6.135 1.00 14.05 C ATOM 439 C TYR A 28 0.384 6.829 6.779 1.00 31.45 C ATOM 440 O TYR A 28 0.284 5.691 6.319 1.00 73.02 O ATOM 441 CB TYR A 28 2.426 8.207 7.096 1.00 55.44 C ATOM 442 CG TYR A 28 3.472 7.128 7.247 1.00 1.14 C ATOM 443 CD1 TYR A 28 4.467 6.970 6.302 1.00 3.12 C ATOM 444 CD2 TYR A 28 3.470 6.277 8.343 1.00 71.42 C ATOM 445 CE1 TYR A 28 5.430 6.002 6.436 1.00 55.23 C ATOM 446 CE2 TYR A 28 4.434 5.301 8.486 1.00 24.35 C ATOM 447 CZ TYR A 28 5.411 5.169 7.531 1.00 2.12 C ATOM 448 OH TYR A 28 6.390 4.207 7.681 1.00 12.21 O ATOM 0 H TYR A 28 0.874 9.908 6.430 1.00 62.24 H new ATOM 0 HA TYR A 28 1.666 7.522 5.184 1.00 14.05 H new ATOM 0 HB2 TYR A 28 2.917 9.119 6.755 1.00 55.44 H new ATOM 0 HB3 TYR A 28 2.005 8.420 8.079 1.00 55.44 H new ATOM 0 HD1 TYR A 28 4.487 7.621 5.441 1.00 3.12 H new ATOM 0 HD2 TYR A 28 2.702 6.380 9.095 1.00 71.42 H new ATOM 0 HE1 TYR A 28 6.199 5.894 5.686 1.00 55.23 H new ATOM 0 HE2 TYR A 28 4.420 4.645 9.344 1.00 24.35 H new ATOM 0 HH TYR A 28 6.231 3.705 8.507 1.00 12.21 H new ATOM 458 N ARG A 29 -0.312 7.260 7.805 1.00 52.10 N ATOM 459 CA ARG A 29 -1.163 6.407 8.592 1.00 65.54 C ATOM 460 C ARG A 29 -2.433 6.011 7.833 1.00 71.14 C ATOM 461 O ARG A 29 -2.940 4.897 8.003 1.00 61.34 O ATOM 462 CB ARG A 29 -1.506 7.104 9.875 1.00 42.10 C ATOM 463 CG ARG A 29 -0.290 7.394 10.718 1.00 60.01 C ATOM 464 CD ARG A 29 -0.614 8.426 11.738 1.00 34.43 C ATOM 465 NE ARG A 29 0.556 8.844 12.509 1.00 62.23 N ATOM 466 CZ ARG A 29 0.562 9.834 13.406 1.00 14.14 C ATOM 467 NH1 ARG A 29 -0.559 10.498 13.672 1.00 44.15 N ATOM 468 NH2 ARG A 29 1.686 10.161 14.029 1.00 63.23 N ATOM 0 H ARG A 29 -0.301 8.230 8.119 1.00 52.10 H new ATOM 0 HA ARG A 29 -0.624 5.484 8.808 1.00 65.54 H new ATOM 0 HB2 ARG A 29 -2.020 8.039 9.651 1.00 42.10 H new ATOM 0 HB3 ARG A 29 -2.201 6.487 10.445 1.00 42.10 H new ATOM 0 HG2 ARG A 29 0.050 6.481 11.207 1.00 60.01 H new ATOM 0 HG3 ARG A 29 0.527 7.740 10.085 1.00 60.01 H new ATOM 0 HD2 ARG A 29 -1.048 9.295 11.244 1.00 34.43 H new ATOM 0 HD3 ARG A 29 -1.371 8.034 12.418 1.00 34.43 H new ATOM 0 HE ARG A 29 1.431 8.344 12.351 1.00 62.23 H new ATOM 0 HH11 ARG A 29 -1.424 10.252 13.191 1.00 44.15 H new ATOM 0 HH12 ARG A 29 -0.554 11.254 14.357 1.00 44.15 H new ATOM 0 HH21 ARG A 29 2.548 9.656 13.824 1.00 63.23 H new ATOM 0 HH22 ARG A 29 1.688 10.917 14.713 1.00 63.23 H new ATOM 482 N SER A 30 -2.940 6.926 7.005 1.00 53.01 N ATOM 483 CA SER A 30 -4.104 6.674 6.175 1.00 22.34 C ATOM 484 C SER A 30 -3.796 5.566 5.191 1.00 42.30 C ATOM 485 O SER A 30 -4.639 4.771 4.853 1.00 21.41 O ATOM 486 CB SER A 30 -4.517 7.949 5.421 1.00 44.41 C ATOM 487 OG SER A 30 -4.879 8.995 6.319 1.00 13.54 O ATOM 0 H SER A 30 -2.550 7.862 6.896 1.00 53.01 H new ATOM 0 HA SER A 30 -4.933 6.370 6.815 1.00 22.34 H new ATOM 0 HB2 SER A 30 -3.694 8.281 4.788 1.00 44.41 H new ATOM 0 HB3 SER A 30 -5.357 7.727 4.762 1.00 44.41 H new ATOM 0 HG SER A 30 -4.092 9.272 6.833 1.00 13.54 H new ATOM 493 N PHE A 31 -2.573 5.515 4.750 1.00 74.51 N ATOM 494 CA PHE A 31 -2.165 4.483 3.865 1.00 2.34 C ATOM 495 C PHE A 31 -2.026 3.152 4.593 1.00 44.11 C ATOM 496 O PHE A 31 -2.467 2.102 4.097 1.00 55.12 O ATOM 497 CB PHE A 31 -0.876 4.850 3.172 1.00 63.35 C ATOM 498 CG PHE A 31 -0.291 3.693 2.467 1.00 13.34 C ATOM 499 CD1 PHE A 31 -0.889 3.210 1.321 1.00 14.24 C ATOM 500 CD2 PHE A 31 0.810 3.053 2.983 1.00 61.04 C ATOM 501 CE1 PHE A 31 -0.393 2.103 0.687 1.00 53.13 C ATOM 502 CE2 PHE A 31 1.331 1.944 2.358 1.00 62.11 C ATOM 503 CZ PHE A 31 0.729 1.462 1.200 1.00 61.21 C ATOM 0 H PHE A 31 -1.843 6.184 4.995 1.00 74.51 H new ATOM 0 HA PHE A 31 -2.941 4.369 3.108 1.00 2.34 H new ATOM 0 HB2 PHE A 31 -1.061 5.655 2.461 1.00 63.35 H new ATOM 0 HB3 PHE A 31 -0.163 5.229 3.904 1.00 63.35 H new ATOM 0 HD1 PHE A 31 -1.758 3.711 0.920 1.00 14.24 H new ATOM 0 HD2 PHE A 31 1.270 3.424 3.887 1.00 61.04 H new ATOM 0 HE1 PHE A 31 -0.871 1.730 -0.207 1.00 53.13 H new ATOM 0 HE2 PHE A 31 2.202 1.451 2.764 1.00 62.11 H new ATOM 0 HZ PHE A 31 1.132 0.593 0.701 1.00 61.21 H new ATOM 513 N LEU A 32 -1.404 3.197 5.749 1.00 53.50 N ATOM 514 CA LEU A 32 -1.194 2.028 6.566 1.00 13.03 C ATOM 515 C LEU A 32 -2.504 1.331 6.889 1.00 53.42 C ATOM 516 O LEU A 32 -2.564 0.110 6.914 1.00 44.05 O ATOM 517 CB LEU A 32 -0.469 2.416 7.846 1.00 34.23 C ATOM 518 CG LEU A 32 0.936 2.983 7.676 1.00 61.43 C ATOM 519 CD1 LEU A 32 1.517 3.316 9.023 1.00 23.31 C ATOM 520 CD2 LEU A 32 1.846 2.015 6.909 1.00 72.43 C ATOM 0 H LEU A 32 -1.027 4.055 6.151 1.00 53.50 H new ATOM 0 HA LEU A 32 -0.579 1.326 6.003 1.00 13.03 H new ATOM 0 HB2 LEU A 32 -1.075 3.153 8.373 1.00 34.23 H new ATOM 0 HB3 LEU A 32 -0.409 1.536 8.486 1.00 34.23 H new ATOM 0 HG LEU A 32 0.868 3.896 7.084 1.00 61.43 H new ATOM 0 HD11 LEU A 32 2.521 3.721 8.896 1.00 23.31 H new ATOM 0 HD12 LEU A 32 0.887 4.055 9.518 1.00 23.31 H new ATOM 0 HD13 LEU A 32 1.564 2.413 9.632 1.00 23.31 H new ATOM 0 HD21 LEU A 32 2.839 2.453 6.807 1.00 72.43 H new ATOM 0 HD22 LEU A 32 1.918 1.074 7.455 1.00 72.43 H new ATOM 0 HD23 LEU A 32 1.428 1.829 5.920 1.00 72.43 H new ATOM 532 N GLU A 33 -3.559 2.111 7.055 1.00 13.33 N ATOM 533 CA GLU A 33 -4.852 1.568 7.397 1.00 2.04 C ATOM 534 C GLU A 33 -5.447 0.812 6.207 1.00 11.23 C ATOM 535 O GLU A 33 -6.159 -0.170 6.380 1.00 3.03 O ATOM 536 CB GLU A 33 -5.779 2.674 7.898 1.00 41.44 C ATOM 537 CG GLU A 33 -6.482 3.525 6.835 1.00 55.40 C ATOM 538 CD GLU A 33 -7.286 4.632 7.467 1.00 31.43 C ATOM 539 OE1 GLU A 33 -6.729 5.711 7.751 1.00 14.43 O ATOM 540 OE2 GLU A 33 -8.478 4.429 7.760 1.00 22.15 O ATOM 0 H GLU A 33 -3.539 3.126 6.957 1.00 13.33 H new ATOM 0 HA GLU A 33 -4.734 0.851 8.209 1.00 2.04 H new ATOM 0 HB2 GLU A 33 -6.543 2.217 8.526 1.00 41.44 H new ATOM 0 HB3 GLU A 33 -5.198 3.340 8.536 1.00 41.44 H new ATOM 0 HG2 GLU A 33 -5.741 3.951 6.158 1.00 55.40 H new ATOM 0 HG3 GLU A 33 -7.137 2.894 6.235 1.00 55.40 H new ATOM 547 N ILE A 34 -5.101 1.253 5.005 1.00 23.33 N ATOM 548 CA ILE A 34 -5.536 0.631 3.792 1.00 35.45 C ATOM 549 C ILE A 34 -4.862 -0.704 3.657 1.00 45.33 C ATOM 550 O ILE A 34 -5.507 -1.700 3.430 1.00 55.22 O ATOM 551 CB ILE A 34 -5.176 1.519 2.588 1.00 53.44 C ATOM 552 CG1 ILE A 34 -5.929 2.840 2.696 1.00 13.23 C ATOM 553 CG2 ILE A 34 -5.458 0.803 1.268 1.00 4.22 C ATOM 554 CD1 ILE A 34 -5.473 3.899 1.737 1.00 64.42 C ATOM 0 H ILE A 34 -4.502 2.065 4.858 1.00 23.33 H new ATOM 0 HA ILE A 34 -6.617 0.497 3.819 1.00 35.45 H new ATOM 0 HB ILE A 34 -4.106 1.729 2.600 1.00 53.44 H new ATOM 0 HG12 ILE A 34 -6.990 2.653 2.532 1.00 13.23 H new ATOM 0 HG13 ILE A 34 -5.826 3.220 3.712 1.00 13.23 H new ATOM 0 HG21 ILE A 34 -5.194 1.456 0.436 1.00 4.22 H new ATOM 0 HG22 ILE A 34 -4.865 -0.110 1.215 1.00 4.22 H new ATOM 0 HG23 ILE A 34 -6.517 0.552 1.209 1.00 4.22 H new ATOM 0 HD11 ILE A 34 -6.064 4.803 1.885 1.00 64.42 H new ATOM 0 HD12 ILE A 34 -4.420 4.120 1.913 1.00 64.42 H new ATOM 0 HD13 ILE A 34 -5.603 3.544 0.715 1.00 64.42 H new ATOM 566 N LEU A 35 -3.560 -0.720 3.846 1.00 43.33 N ATOM 567 CA LEU A 35 -2.796 -1.931 3.721 1.00 0.12 C ATOM 568 C LEU A 35 -3.132 -2.913 4.846 1.00 3.10 C ATOM 569 O LEU A 35 -3.118 -4.122 4.641 1.00 51.45 O ATOM 570 CB LEU A 35 -1.309 -1.602 3.681 1.00 63.43 C ATOM 571 CG LEU A 35 -0.514 -2.178 2.500 1.00 51.11 C ATOM 572 CD1 LEU A 35 -0.456 -3.700 2.553 1.00 54.13 C ATOM 573 CD2 LEU A 35 -1.103 -1.716 1.164 1.00 33.45 C ATOM 0 H LEU A 35 -3.009 0.103 4.089 1.00 43.33 H new ATOM 0 HA LEU A 35 -3.061 -2.422 2.784 1.00 0.12 H new ATOM 0 HB2 LEU A 35 -1.199 -0.518 3.670 1.00 63.43 H new ATOM 0 HB3 LEU A 35 -0.855 -1.959 4.605 1.00 63.43 H new ATOM 0 HG LEU A 35 0.505 -1.799 2.581 1.00 51.11 H new ATOM 0 HD11 LEU A 35 0.114 -4.072 1.702 1.00 54.13 H new ATOM 0 HD12 LEU A 35 0.027 -4.014 3.479 1.00 54.13 H new ATOM 0 HD13 LEU A 35 -1.468 -4.104 2.517 1.00 54.13 H new ATOM 0 HD21 LEU A 35 -0.521 -2.138 0.345 1.00 33.45 H new ATOM 0 HD22 LEU A 35 -2.137 -2.053 1.086 1.00 33.45 H new ATOM 0 HD23 LEU A 35 -1.071 -0.628 1.109 1.00 33.45 H new ATOM 585 N HIS A 36 -3.453 -2.390 6.010 1.00 54.51 N ATOM 586 CA HIS A 36 -3.855 -3.213 7.141 1.00 21.33 C ATOM 587 C HIS A 36 -5.227 -3.843 6.817 1.00 55.25 C ATOM 588 O HIS A 36 -5.433 -5.050 6.987 1.00 45.42 O ATOM 589 CB HIS A 36 -3.935 -2.337 8.409 1.00 22.21 C ATOM 590 CG HIS A 36 -3.921 -3.083 9.718 1.00 53.10 C ATOM 591 ND1 HIS A 36 -3.406 -2.559 10.885 1.00 34.41 N ATOM 592 CD2 HIS A 36 -4.387 -4.310 10.041 1.00 61.14 C ATOM 593 CE1 HIS A 36 -3.573 -3.453 11.853 1.00 11.45 C ATOM 594 NE2 HIS A 36 -4.169 -4.545 11.395 1.00 21.32 N ATOM 0 H HIS A 36 -3.444 -1.388 6.203 1.00 54.51 H new ATOM 0 HA HIS A 36 -3.129 -4.006 7.322 1.00 21.33 H new ATOM 0 HB2 HIS A 36 -3.098 -1.639 8.400 1.00 22.21 H new ATOM 0 HB3 HIS A 36 -4.847 -1.742 8.361 1.00 22.21 H new ATOM 0 HD2 HIS A 36 -4.855 -5.000 9.355 1.00 61.14 H new ATOM 0 HE1 HIS A 36 -3.264 -3.309 12.878 1.00 11.45 H new ATOM 0 HE2 HIS A 36 -4.416 -5.381 11.924 1.00 21.32 H new ATOM 602 N THR A 37 -6.131 -3.020 6.305 1.00 52.44 N ATOM 603 CA THR A 37 -7.454 -3.442 5.879 1.00 3.35 C ATOM 604 C THR A 37 -7.370 -4.442 4.723 1.00 12.54 C ATOM 605 O THR A 37 -8.119 -5.430 4.671 1.00 50.03 O ATOM 606 CB THR A 37 -8.304 -2.181 5.519 1.00 21.03 C ATOM 607 OG1 THR A 37 -9.237 -1.886 6.569 1.00 53.35 O ATOM 608 CG2 THR A 37 -8.999 -2.241 4.151 1.00 72.44 C ATOM 0 H THR A 37 -5.961 -2.023 6.172 1.00 52.44 H new ATOM 0 HA THR A 37 -7.951 -3.966 6.695 1.00 3.35 H new ATOM 0 HB THR A 37 -7.590 -1.362 5.428 1.00 21.03 H new ATOM 0 HG1 THR A 37 -9.760 -1.093 6.329 1.00 53.35 H new ATOM 0 HG21 THR A 37 -9.564 -1.323 3.990 1.00 72.44 H new ATOM 0 HG22 THR A 37 -8.250 -2.348 3.367 1.00 72.44 H new ATOM 0 HG23 THR A 37 -9.677 -3.094 4.124 1.00 72.44 H new ATOM 616 N TYR A 38 -6.423 -4.203 3.856 1.00 53.13 N ATOM 617 CA TYR A 38 -6.172 -5.013 2.711 1.00 14.10 C ATOM 618 C TYR A 38 -5.795 -6.441 3.145 1.00 33.41 C ATOM 619 O TYR A 38 -6.208 -7.423 2.537 1.00 53.44 O ATOM 620 CB TYR A 38 -5.043 -4.367 1.913 1.00 53.31 C ATOM 621 CG TYR A 38 -4.721 -5.030 0.635 1.00 73.44 C ATOM 622 CD1 TYR A 38 -5.502 -4.795 -0.455 1.00 33.13 C ATOM 623 CD2 TYR A 38 -3.624 -5.865 0.509 1.00 24.11 C ATOM 624 CE1 TYR A 38 -5.220 -5.387 -1.679 1.00 54.52 C ATOM 625 CE2 TYR A 38 -3.325 -6.462 -0.692 1.00 11.34 C ATOM 626 CZ TYR A 38 -4.120 -6.228 -1.785 1.00 11.21 C ATOM 627 OH TYR A 38 -3.821 -6.848 -2.988 1.00 11.01 O ATOM 0 H TYR A 38 -5.787 -3.410 3.937 1.00 53.13 H new ATOM 0 HA TYR A 38 -7.065 -5.084 2.090 1.00 14.10 H new ATOM 0 HB2 TYR A 38 -5.310 -3.330 1.709 1.00 53.31 H new ATOM 0 HB3 TYR A 38 -4.146 -4.349 2.532 1.00 53.31 H new ATOM 0 HD1 TYR A 38 -6.354 -4.138 -0.366 1.00 33.13 H new ATOM 0 HD2 TYR A 38 -2.994 -6.050 1.367 1.00 24.11 H new ATOM 0 HE1 TYR A 38 -5.848 -5.196 -2.537 1.00 54.52 H new ATOM 0 HE2 TYR A 38 -2.467 -7.113 -0.775 1.00 11.34 H new ATOM 0 HH TYR A 38 -3.018 -7.399 -2.881 1.00 11.01 H new ATOM 637 N GLN A 39 -5.039 -6.538 4.231 1.00 45.11 N ATOM 638 CA GLN A 39 -4.615 -7.825 4.769 1.00 21.21 C ATOM 639 C GLN A 39 -5.794 -8.596 5.342 1.00 4.43 C ATOM 640 O GLN A 39 -5.883 -9.807 5.186 1.00 50.20 O ATOM 641 CB GLN A 39 -3.530 -7.643 5.811 1.00 63.20 C ATOM 642 CG GLN A 39 -2.262 -7.044 5.249 1.00 62.12 C ATOM 643 CD GLN A 39 -1.209 -6.815 6.295 1.00 23.42 C ATOM 644 OE1 GLN A 39 -1.127 -7.539 7.286 1.00 2.20 O ATOM 645 NE2 GLN A 39 -0.412 -5.804 6.101 1.00 73.12 N ATOM 0 H GLN A 39 -4.704 -5.733 4.761 1.00 45.11 H new ATOM 0 HA GLN A 39 -4.202 -8.411 3.948 1.00 21.21 H new ATOM 0 HB2 GLN A 39 -3.905 -7.002 6.609 1.00 63.20 H new ATOM 0 HB3 GLN A 39 -3.300 -8.609 6.260 1.00 63.20 H new ATOM 0 HG2 GLN A 39 -1.864 -7.705 4.479 1.00 62.12 H new ATOM 0 HG3 GLN A 39 -2.498 -6.096 4.765 1.00 62.12 H new ATOM 0 HE21 GLN A 39 -0.513 -5.228 5.265 1.00 73.12 H new ATOM 0 HE22 GLN A 39 0.314 -5.588 6.785 1.00 73.12 H new ATOM 904 N GLU A 55 -8.726 -5.114 -5.357 1.00 15.41 N ATOM 905 CA GLU A 55 -7.465 -4.449 -5.624 1.00 54.14 C ATOM 906 C GLU A 55 -7.631 -3.060 -6.269 1.00 1.25 C ATOM 907 O GLU A 55 -6.936 -2.120 -5.904 1.00 22.13 O ATOM 908 CB GLU A 55 -6.658 -5.329 -6.537 1.00 51.40 C ATOM 909 CG GLU A 55 -5.256 -4.875 -6.730 1.00 74.43 C ATOM 910 CD GLU A 55 -4.558 -5.685 -7.768 1.00 50.10 C ATOM 911 OE1 GLU A 55 -4.292 -6.866 -7.531 1.00 61.32 O ATOM 912 OE2 GLU A 55 -4.331 -5.174 -8.875 1.00 42.13 O ATOM 0 HA GLU A 55 -6.966 -4.288 -4.669 1.00 54.14 H new ATOM 0 HB2 GLU A 55 -6.649 -6.342 -6.134 1.00 51.40 H new ATOM 0 HB3 GLU A 55 -7.151 -5.377 -7.508 1.00 51.40 H new ATOM 0 HG2 GLU A 55 -5.249 -3.825 -7.021 1.00 74.43 H new ATOM 0 HG3 GLU A 55 -4.716 -4.948 -5.786 1.00 74.43 H new ATOM 919 N GLU A 56 -8.557 -2.936 -7.195 1.00 0.22 N ATOM 920 CA GLU A 56 -8.776 -1.690 -7.899 1.00 71.41 C ATOM 921 C GLU A 56 -9.340 -0.605 -6.964 1.00 23.52 C ATOM 922 O GLU A 56 -8.999 0.584 -7.084 1.00 45.23 O ATOM 923 CB GLU A 56 -9.673 -1.929 -9.116 1.00 23.11 C ATOM 924 CG GLU A 56 -9.924 -0.703 -9.960 1.00 10.24 C ATOM 925 CD GLU A 56 -10.648 -1.022 -11.236 1.00 0.42 C ATOM 926 OE1 GLU A 56 -11.883 -1.138 -11.230 1.00 35.55 O ATOM 927 OE2 GLU A 56 -9.997 -1.158 -12.289 1.00 25.32 O ATOM 0 H GLU A 56 -9.178 -3.693 -7.481 1.00 0.22 H new ATOM 0 HA GLU A 56 -7.816 -1.316 -8.257 1.00 71.41 H new ATOM 0 HB2 GLU A 56 -9.219 -2.698 -9.741 1.00 23.11 H new ATOM 0 HB3 GLU A 56 -10.631 -2.321 -8.774 1.00 23.11 H new ATOM 0 HG2 GLU A 56 -10.507 0.017 -9.385 1.00 10.24 H new ATOM 0 HG3 GLU A 56 -8.972 -0.227 -10.195 1.00 10.24 H new ATOM 934 N GLU A 57 -10.134 -1.009 -5.985 1.00 63.55 N ATOM 935 CA GLU A 57 -10.701 -0.050 -5.065 1.00 34.52 C ATOM 936 C GLU A 57 -9.692 0.196 -3.950 1.00 52.51 C ATOM 937 O GLU A 57 -9.704 1.241 -3.285 1.00 74.45 O ATOM 938 CB GLU A 57 -12.036 -0.522 -4.534 1.00 33.25 C ATOM 939 CG GLU A 57 -11.942 -1.378 -3.332 1.00 4.41 C ATOM 940 CD GLU A 57 -13.268 -1.916 -2.929 1.00 42.50 C ATOM 941 OE1 GLU A 57 -14.053 -1.180 -2.308 1.00 65.23 O ATOM 942 OE2 GLU A 57 -13.566 -3.083 -3.253 1.00 33.50 O ATOM 0 H GLU A 57 -10.394 -1.980 -5.812 1.00 63.55 H new ATOM 0 HA GLU A 57 -10.899 0.890 -5.580 1.00 34.52 H new ATOM 0 HB2 GLU A 57 -12.649 0.348 -4.300 1.00 33.25 H new ATOM 0 HB3 GLU A 57 -12.552 -1.074 -5.320 1.00 33.25 H new ATOM 0 HG2 GLU A 57 -11.259 -2.205 -3.528 1.00 4.41 H new ATOM 0 HG3 GLU A 57 -11.518 -0.803 -2.509 1.00 4.41 H new ATOM 949 N VAL A 58 -8.807 -0.775 -3.766 1.00 11.41 N ATOM 950 CA VAL A 58 -7.704 -0.649 -2.884 1.00 72.44 C ATOM 951 C VAL A 58 -6.804 0.435 -3.434 1.00 24.45 C ATOM 952 O VAL A 58 -6.518 1.433 -2.769 1.00 23.24 O ATOM 953 CB VAL A 58 -6.937 -1.994 -2.785 1.00 34.34 C ATOM 954 CG1 VAL A 58 -5.588 -1.826 -2.155 1.00 14.41 C ATOM 955 CG2 VAL A 58 -7.741 -2.990 -2.004 1.00 35.02 C ATOM 0 H VAL A 58 -8.855 -1.676 -4.242 1.00 11.41 H new ATOM 0 HA VAL A 58 -8.043 -0.389 -1.881 1.00 72.44 H new ATOM 0 HB VAL A 58 -6.786 -2.359 -3.801 1.00 34.34 H new ATOM 0 HG11 VAL A 58 -5.086 -2.793 -2.106 1.00 14.41 H new ATOM 0 HG12 VAL A 58 -4.991 -1.137 -2.752 1.00 14.41 H new ATOM 0 HG13 VAL A 58 -5.704 -1.426 -1.148 1.00 14.41 H new ATOM 0 HG21 VAL A 58 -7.193 -3.930 -1.941 1.00 35.02 H new ATOM 0 HG22 VAL A 58 -7.920 -2.606 -1.000 1.00 35.02 H new ATOM 0 HG23 VAL A 58 -8.695 -3.159 -2.503 1.00 35.02 H new ATOM 965 N PHE A 59 -6.452 0.262 -4.696 1.00 53.23 N ATOM 966 CA PHE A 59 -5.618 1.178 -5.418 1.00 44.13 C ATOM 967 C PHE A 59 -6.236 2.569 -5.476 1.00 52.31 C ATOM 968 O PHE A 59 -5.520 3.543 -5.495 1.00 31.31 O ATOM 969 CB PHE A 59 -5.319 0.641 -6.828 1.00 3.43 C ATOM 970 CG PHE A 59 -4.478 1.572 -7.655 1.00 53.52 C ATOM 971 CD1 PHE A 59 -3.140 1.740 -7.370 1.00 50.41 C ATOM 972 CD2 PHE A 59 -5.035 2.289 -8.700 1.00 61.15 C ATOM 973 CE1 PHE A 59 -2.365 2.607 -8.106 1.00 51.33 C ATOM 974 CE2 PHE A 59 -4.266 3.155 -9.445 1.00 73.13 C ATOM 975 CZ PHE A 59 -2.929 3.317 -9.144 1.00 22.11 C ATOM 0 H PHE A 59 -6.750 -0.541 -5.250 1.00 53.23 H new ATOM 0 HA PHE A 59 -4.674 1.267 -4.881 1.00 44.13 H new ATOM 0 HB2 PHE A 59 -4.809 -0.319 -6.743 1.00 3.43 H new ATOM 0 HB3 PHE A 59 -6.260 0.457 -7.346 1.00 3.43 H new ATOM 0 HD1 PHE A 59 -2.694 1.184 -6.559 1.00 50.41 H new ATOM 0 HD2 PHE A 59 -6.083 2.168 -8.933 1.00 61.15 H new ATOM 0 HE1 PHE A 59 -1.318 2.731 -7.871 1.00 51.33 H new ATOM 0 HE2 PHE A 59 -4.708 3.706 -10.262 1.00 73.13 H new ATOM 0 HZ PHE A 59 -2.324 4.000 -9.722 1.00 22.11 H new ATOM 985 N THR A 60 -7.562 2.652 -5.458 1.00 55.32 N ATOM 986 CA THR A 60 -8.245 3.877 -5.464 1.00 32.21 C ATOM 987 C THR A 60 -7.808 4.768 -4.287 1.00 1.54 C ATOM 988 O THR A 60 -7.427 5.928 -4.495 1.00 24.41 O ATOM 989 CB THR A 60 -9.747 3.603 -5.413 1.00 22.41 C ATOM 990 OG1 THR A 60 -10.190 3.033 -6.668 1.00 74.12 O ATOM 991 CG2 THR A 60 -10.495 4.847 -5.099 1.00 65.52 C ATOM 0 H THR A 60 -8.175 1.837 -5.439 1.00 55.32 H new ATOM 0 HA THR A 60 -8.003 4.418 -6.379 1.00 32.21 H new ATOM 0 HB THR A 60 -9.947 2.884 -4.619 1.00 22.41 H new ATOM 0 HG1 THR A 60 -9.722 2.187 -6.826 1.00 74.12 H new ATOM 0 HG21 THR A 60 -11.563 4.631 -5.067 1.00 65.52 H new ATOM 0 HG22 THR A 60 -10.173 5.230 -4.131 1.00 65.52 H new ATOM 0 HG23 THR A 60 -10.299 5.594 -5.868 1.00 65.52 H new ATOM 999 N GLU A 61 -7.791 4.207 -3.079 1.00 12.32 N ATOM 1000 CA GLU A 61 -7.448 4.988 -1.917 1.00 51.13 C ATOM 1001 C GLU A 61 -5.961 5.243 -1.886 1.00 33.24 C ATOM 1002 O GLU A 61 -5.528 6.290 -1.454 1.00 62.20 O ATOM 1003 CB GLU A 61 -7.867 4.292 -0.638 1.00 43.01 C ATOM 1004 CG GLU A 61 -9.334 4.014 -0.530 1.00 21.10 C ATOM 1005 CD GLU A 61 -9.717 3.552 0.845 1.00 41.22 C ATOM 1006 OE1 GLU A 61 -9.621 2.345 1.132 1.00 71.12 O ATOM 1007 OE2 GLU A 61 -10.116 4.404 1.668 1.00 52.12 O ATOM 0 H GLU A 61 -8.009 3.228 -2.892 1.00 12.32 H new ATOM 0 HA GLU A 61 -7.984 5.935 -1.984 1.00 51.13 H new ATOM 0 HB2 GLU A 61 -7.325 3.349 -0.559 1.00 43.01 H new ATOM 0 HB3 GLU A 61 -7.564 4.906 0.210 1.00 43.01 H new ATOM 0 HG2 GLU A 61 -9.893 4.916 -0.779 1.00 21.10 H new ATOM 0 HG3 GLU A 61 -9.614 3.254 -1.259 1.00 21.10 H new ATOM 1014 N VAL A 62 -5.194 4.284 -2.379 1.00 10.44 N ATOM 1015 CA VAL A 62 -3.740 4.386 -2.412 1.00 14.43 C ATOM 1016 C VAL A 62 -3.300 5.466 -3.417 1.00 31.21 C ATOM 1017 O VAL A 62 -2.436 6.285 -3.130 1.00 11.13 O ATOM 1018 CB VAL A 62 -3.086 3.024 -2.764 1.00 62.04 C ATOM 1019 CG1 VAL A 62 -1.585 3.105 -2.675 1.00 45.03 C ATOM 1020 CG2 VAL A 62 -3.588 1.939 -1.835 1.00 1.11 C ATOM 0 H VAL A 62 -5.559 3.414 -2.767 1.00 10.44 H new ATOM 0 HA VAL A 62 -3.403 4.672 -1.416 1.00 14.43 H new ATOM 0 HB VAL A 62 -3.364 2.779 -3.789 1.00 62.04 H new ATOM 0 HG11 VAL A 62 -1.153 2.137 -2.927 1.00 45.03 H new ATOM 0 HG12 VAL A 62 -1.219 3.858 -3.373 1.00 45.03 H new ATOM 0 HG13 VAL A 62 -1.295 3.379 -1.661 1.00 45.03 H new ATOM 0 HG21 VAL A 62 -3.119 0.990 -2.096 1.00 1.11 H new ATOM 0 HG22 VAL A 62 -3.337 2.196 -0.806 1.00 1.11 H new ATOM 0 HG23 VAL A 62 -4.670 1.848 -1.933 1.00 1.11 H new ATOM 1030 N ALA A 63 -3.934 5.488 -4.569 1.00 72.14 N ATOM 1031 CA ALA A 63 -3.651 6.493 -5.583 1.00 72.20 C ATOM 1032 C ALA A 63 -4.055 7.865 -5.086 1.00 61.10 C ATOM 1033 O ALA A 63 -3.377 8.849 -5.334 1.00 72.24 O ATOM 1034 CB ALA A 63 -4.350 6.161 -6.883 1.00 33.43 C ATOM 0 H ALA A 63 -4.656 4.817 -4.833 1.00 72.14 H new ATOM 0 HA ALA A 63 -2.578 6.497 -5.775 1.00 72.20 H new ATOM 0 HB1 ALA A 63 -4.123 6.927 -7.624 1.00 33.43 H new ATOM 0 HB2 ALA A 63 -4.005 5.192 -7.245 1.00 33.43 H new ATOM 0 HB3 ALA A 63 -5.427 6.124 -6.718 1.00 33.43 H new ATOM 1040 N ASN A 64 -5.145 7.886 -4.356 1.00 53.10 N ATOM 1041 CA ASN A 64 -5.702 9.073 -3.716 1.00 12.13 C ATOM 1042 C ASN A 64 -4.834 9.554 -2.539 1.00 44.53 C ATOM 1043 O ASN A 64 -4.785 10.746 -2.216 1.00 44.42 O ATOM 1044 CB ASN A 64 -7.121 8.744 -3.290 1.00 31.23 C ATOM 1045 CG ASN A 64 -7.693 9.598 -2.201 1.00 30.41 C ATOM 1046 OD1 ASN A 64 -8.238 10.667 -2.453 1.00 23.02 O ATOM 1047 ND2 ASN A 64 -7.623 9.097 -0.990 1.00 23.02 N ATOM 0 H ASN A 64 -5.697 7.046 -4.179 1.00 53.10 H new ATOM 0 HA ASN A 64 -5.714 9.906 -4.419 1.00 12.13 H new ATOM 0 HB2 ASN A 64 -7.769 8.821 -4.163 1.00 31.23 H new ATOM 0 HB3 ASN A 64 -7.149 7.705 -2.963 1.00 31.23 H new ATOM 0 HD21 ASN A 64 -8.034 9.602 -0.205 1.00 23.02 H new ATOM 0 HD22 ASN A 64 -7.158 8.203 -0.834 1.00 23.02 H new ATOM 1054 N LEU A 65 -4.164 8.620 -1.922 1.00 64.15 N ATOM 1055 CA LEU A 65 -3.295 8.838 -0.804 1.00 23.42 C ATOM 1056 C LEU A 65 -2.080 9.629 -1.311 1.00 13.14 C ATOM 1057 O LEU A 65 -1.717 10.664 -0.767 1.00 30.23 O ATOM 1058 CB LEU A 65 -2.839 7.448 -0.357 1.00 61.21 C ATOM 1059 CG LEU A 65 -2.320 7.186 1.026 1.00 14.25 C ATOM 1060 CD1 LEU A 65 -1.085 7.932 1.297 1.00 33.20 C ATOM 1061 CD2 LEU A 65 -3.335 7.408 2.088 1.00 71.53 C ATOM 0 H LEU A 65 -4.213 7.640 -2.200 1.00 64.15 H new ATOM 0 HA LEU A 65 -3.775 9.381 0.010 1.00 23.42 H new ATOM 0 HB2 LEU A 65 -3.685 6.777 -0.507 1.00 61.21 H new ATOM 0 HB3 LEU A 65 -2.057 7.136 -1.050 1.00 61.21 H new ATOM 0 HG LEU A 65 -2.080 6.123 1.055 1.00 14.25 H new ATOM 0 HD11 LEU A 65 -0.743 7.714 2.309 1.00 33.20 H new ATOM 0 HD12 LEU A 65 -0.317 7.636 0.582 1.00 33.20 H new ATOM 0 HD13 LEU A 65 -1.277 9.001 1.201 1.00 33.20 H new ATOM 0 HD21 LEU A 65 -2.893 7.201 3.063 1.00 71.53 H new ATOM 0 HD22 LEU A 65 -3.674 8.443 2.056 1.00 71.53 H new ATOM 0 HD23 LEU A 65 -4.183 6.743 1.925 1.00 71.53 H new ATOM 1073 N PHE A 66 -1.489 9.137 -2.384 1.00 44.53 N ATOM 1074 CA PHE A 66 -0.282 9.724 -2.932 1.00 71.01 C ATOM 1075 C PHE A 66 -0.586 10.486 -4.230 1.00 13.02 C ATOM 1076 O PHE A 66 0.210 10.439 -5.165 1.00 71.34 O ATOM 1077 CB PHE A 66 0.746 8.623 -3.253 1.00 43.21 C ATOM 1078 CG PHE A 66 0.996 7.614 -2.174 1.00 63.31 C ATOM 1079 CD1 PHE A 66 1.664 7.956 -1.027 1.00 12.34 C ATOM 1080 CD2 PHE A 66 0.561 6.313 -2.323 1.00 62.44 C ATOM 1081 CE1 PHE A 66 1.894 7.021 -0.047 1.00 13.14 C ATOM 1082 CE2 PHE A 66 0.790 5.378 -1.347 1.00 3.20 C ATOM 1083 CZ PHE A 66 1.454 5.730 -0.208 1.00 14.11 C ATOM 0 H PHE A 66 -1.830 8.324 -2.897 1.00 44.53 H new ATOM 0 HA PHE A 66 0.118 10.412 -2.187 1.00 71.01 H new ATOM 0 HB2 PHE A 66 0.413 8.094 -4.146 1.00 43.21 H new ATOM 0 HB3 PHE A 66 1.694 9.101 -3.501 1.00 43.21 H new ATOM 0 HD1 PHE A 66 2.013 8.969 -0.892 1.00 12.34 H new ATOM 0 HD2 PHE A 66 0.033 6.027 -3.221 1.00 62.44 H new ATOM 0 HE1 PHE A 66 2.422 7.302 0.852 1.00 13.14 H new ATOM 0 HE2 PHE A 66 0.445 4.363 -1.479 1.00 3.20 H new ATOM 0 HZ PHE A 66 1.633 4.996 0.564 1.00 14.11 H new ATOM 1093 N ARG A 67 -1.705 11.204 -4.284 1.00 24.44 N ATOM 1094 CA ARG A 67 -2.063 11.974 -5.495 1.00 0.42 C ATOM 1095 C ARG A 67 -1.024 13.059 -5.782 1.00 65.12 C ATOM 1096 O ARG A 67 -0.980 14.096 -5.101 1.00 44.24 O ATOM 1097 CB ARG A 67 -3.468 12.602 -5.387 1.00 42.33 C ATOM 1098 CG ARG A 67 -4.615 11.645 -5.520 1.00 3.35 C ATOM 1099 CD ARG A 67 -4.928 11.286 -6.975 1.00 62.24 C ATOM 1100 NE ARG A 67 -3.851 10.550 -7.655 1.00 31.35 N ATOM 1101 CZ ARG A 67 -3.626 10.593 -8.989 1.00 62.45 C ATOM 1102 NH1 ARG A 67 -4.386 11.348 -9.772 1.00 54.30 N ATOM 1103 NH2 ARG A 67 -2.650 9.882 -9.530 1.00 12.24 N ATOM 0 H ARG A 67 -2.378 11.275 -3.521 1.00 24.44 H new ATOM 0 HA ARG A 67 -2.076 11.268 -6.325 1.00 0.42 H new ATOM 0 HB2 ARG A 67 -3.548 13.107 -4.424 1.00 42.33 H new ATOM 0 HB3 ARG A 67 -3.565 13.367 -6.157 1.00 42.33 H new ATOM 0 HG2 ARG A 67 -4.387 10.734 -4.968 1.00 3.35 H new ATOM 0 HG3 ARG A 67 -5.501 12.083 -5.061 1.00 3.35 H new ATOM 0 HD2 ARG A 67 -5.838 10.686 -7.003 1.00 62.24 H new ATOM 0 HD3 ARG A 67 -5.133 12.202 -7.528 1.00 62.24 H new ATOM 0 HE ARG A 67 -3.235 9.971 -7.085 1.00 31.35 H new ATOM 0 HH11 ARG A 67 -5.144 11.899 -9.369 1.00 54.30 H new ATOM 0 HH12 ARG A 67 -4.212 11.377 -10.777 1.00 54.30 H new ATOM 0 HH21 ARG A 67 -2.060 9.295 -8.941 1.00 12.24 H new ATOM 0 HH22 ARG A 67 -2.488 9.921 -10.536 1.00 12.24 H new ATOM 1117 N GLY A 68 -0.181 12.800 -6.759 1.00 1.32 N ATOM 1118 CA GLY A 68 0.877 13.705 -7.104 1.00 61.51 C ATOM 1119 C GLY A 68 2.196 12.977 -7.155 1.00 44.32 C ATOM 1120 O GLY A 68 3.147 13.422 -7.795 1.00 12.30 O ATOM 0 H GLY A 68 -0.216 11.956 -7.331 1.00 1.32 H new ATOM 0 HA2 GLY A 68 0.670 14.164 -8.071 1.00 61.51 H new ATOM 0 HA3 GLY A 68 0.928 14.511 -6.372 1.00 61.51 H new ATOM 1124 N GLN A 69 2.269 11.871 -6.448 1.00 23.33 N ATOM 1125 CA GLN A 69 3.447 11.053 -6.421 1.00 73.13 C ATOM 1126 C GLN A 69 3.241 9.855 -7.319 1.00 43.44 C ATOM 1127 O GLN A 69 2.886 8.767 -6.851 1.00 13.12 O ATOM 1128 CB GLN A 69 3.689 10.583 -5.011 1.00 51.31 C ATOM 1129 CG GLN A 69 3.758 11.705 -4.005 1.00 53.40 C ATOM 1130 CD GLN A 69 4.982 12.534 -4.145 1.00 34.33 C ATOM 1131 OE1 GLN A 69 6.009 12.243 -3.556 1.00 62.00 O ATOM 1132 NE2 GLN A 69 4.882 13.573 -4.879 1.00 4.45 N ATOM 0 H GLN A 69 1.504 11.517 -5.874 1.00 23.33 H new ATOM 0 HA GLN A 69 4.305 11.628 -6.769 1.00 73.13 H new ATOM 0 HB2 GLN A 69 2.892 9.897 -4.724 1.00 51.31 H new ATOM 0 HB3 GLN A 69 4.622 10.020 -4.979 1.00 51.31 H new ATOM 0 HG2 GLN A 69 2.880 12.341 -4.117 1.00 53.40 H new ATOM 0 HG3 GLN A 69 3.722 11.287 -2.999 1.00 53.40 H new ATOM 0 HE21 GLN A 69 4.003 13.779 -5.354 1.00 4.45 H new ATOM 0 HE22 GLN A 69 5.681 14.197 -4.991 1.00 4.45 H new ATOM 1141 N GLU A 70 3.433 10.052 -8.600 1.00 74.42 N ATOM 1142 CA GLU A 70 3.222 9.042 -9.567 1.00 72.15 C ATOM 1143 C GLU A 70 4.201 7.894 -9.376 1.00 24.33 C ATOM 1144 O GLU A 70 3.847 6.736 -9.588 1.00 3.32 O ATOM 1145 CB GLU A 70 3.348 9.645 -10.941 1.00 13.20 C ATOM 1146 CG GLU A 70 3.181 8.654 -12.025 1.00 72.52 C ATOM 1147 CD GLU A 70 3.272 9.257 -13.384 1.00 24.41 C ATOM 1148 OE1 GLU A 70 4.400 9.372 -13.924 1.00 62.14 O ATOM 1149 OE2 GLU A 70 2.227 9.627 -13.947 1.00 60.01 O ATOM 0 H GLU A 70 3.746 10.940 -8.991 1.00 74.42 H new ATOM 0 HA GLU A 70 2.220 8.631 -9.449 1.00 72.15 H new ATOM 0 HB2 GLU A 70 2.601 10.431 -11.057 1.00 13.20 H new ATOM 0 HB3 GLU A 70 4.326 10.118 -11.036 1.00 13.20 H new ATOM 0 HG2 GLU A 70 3.944 7.882 -11.924 1.00 72.52 H new ATOM 0 HG3 GLU A 70 2.214 8.163 -11.915 1.00 72.52 H new ATOM 1156 N ASP A 71 5.415 8.223 -8.943 1.00 63.41 N ATOM 1157 CA ASP A 71 6.455 7.219 -8.680 1.00 3.14 C ATOM 1158 C ASP A 71 5.942 6.166 -7.725 1.00 43.24 C ATOM 1159 O ASP A 71 5.911 4.991 -8.054 1.00 32.22 O ATOM 1160 CB ASP A 71 7.724 7.863 -8.112 1.00 1.22 C ATOM 1161 CG ASP A 71 8.806 6.843 -7.774 1.00 13.15 C ATOM 1162 OD1 ASP A 71 9.492 6.357 -8.695 1.00 4.44 O ATOM 1163 OD2 ASP A 71 9.008 6.542 -6.585 1.00 12.33 O ATOM 0 H ASP A 71 5.709 9.183 -8.764 1.00 63.41 H new ATOM 0 HA ASP A 71 6.708 6.749 -9.631 1.00 3.14 H new ATOM 0 HB2 ASP A 71 8.118 8.577 -8.835 1.00 1.22 H new ATOM 0 HB3 ASP A 71 7.469 8.426 -7.214 1.00 1.22 H new ATOM 1168 N LEU A 72 5.446 6.612 -6.592 1.00 42.21 N ATOM 1169 CA LEU A 72 4.918 5.725 -5.562 1.00 11.14 C ATOM 1170 C LEU A 72 3.746 4.903 -6.099 1.00 4.10 C ATOM 1171 O LEU A 72 3.637 3.714 -5.831 1.00 52.50 O ATOM 1172 CB LEU A 72 4.480 6.537 -4.336 1.00 74.40 C ATOM 1173 CG LEU A 72 5.572 7.375 -3.654 1.00 15.23 C ATOM 1174 CD1 LEU A 72 4.991 8.159 -2.497 1.00 31.21 C ATOM 1175 CD2 LEU A 72 6.719 6.495 -3.173 1.00 42.24 C ATOM 0 H LEU A 72 5.394 7.602 -6.352 1.00 42.21 H new ATOM 0 HA LEU A 72 5.710 5.037 -5.265 1.00 11.14 H new ATOM 0 HB2 LEU A 72 3.673 7.205 -4.638 1.00 74.40 H new ATOM 0 HB3 LEU A 72 4.065 5.849 -3.599 1.00 74.40 H new ATOM 0 HG LEU A 72 5.968 8.075 -4.390 1.00 15.23 H new ATOM 0 HD11 LEU A 72 5.778 8.747 -2.025 1.00 31.21 H new ATOM 0 HD12 LEU A 72 4.211 8.825 -2.864 1.00 31.21 H new ATOM 0 HD13 LEU A 72 4.566 7.470 -1.767 1.00 31.21 H new ATOM 0 HD21 LEU A 72 7.477 7.115 -2.694 1.00 42.24 H new ATOM 0 HD22 LEU A 72 6.342 5.765 -2.457 1.00 42.24 H new ATOM 0 HD23 LEU A 72 7.160 5.975 -4.023 1.00 42.24 H new ATOM 1187 N LEU A 73 2.941 5.519 -6.940 1.00 4.51 N ATOM 1188 CA LEU A 73 1.754 4.868 -7.493 1.00 25.12 C ATOM 1189 C LEU A 73 2.137 3.847 -8.555 1.00 61.44 C ATOM 1190 O LEU A 73 1.331 3.014 -8.957 1.00 32.14 O ATOM 1191 CB LEU A 73 0.818 5.905 -8.107 1.00 61.54 C ATOM 1192 CG LEU A 73 0.371 7.035 -7.187 1.00 14.34 C ATOM 1193 CD1 LEU A 73 -0.591 7.954 -7.884 1.00 61.52 C ATOM 1194 CD2 LEU A 73 -0.230 6.502 -5.917 1.00 41.41 C ATOM 0 H LEU A 73 3.082 6.476 -7.262 1.00 4.51 H new ATOM 0 HA LEU A 73 1.245 4.355 -6.677 1.00 25.12 H new ATOM 0 HB2 LEU A 73 1.313 6.344 -8.973 1.00 61.54 H new ATOM 0 HB3 LEU A 73 -0.070 5.390 -8.474 1.00 61.54 H new ATOM 0 HG LEU A 73 1.258 7.610 -6.923 1.00 14.34 H new ATOM 0 HD11 LEU A 73 -0.892 8.750 -7.203 1.00 61.52 H new ATOM 0 HD12 LEU A 73 -0.109 8.389 -8.760 1.00 61.52 H new ATOM 0 HD13 LEU A 73 -1.471 7.391 -8.196 1.00 61.52 H new ATOM 0 HD21 LEU A 73 -0.538 7.334 -5.283 1.00 41.41 H new ATOM 0 HD22 LEU A 73 -1.097 5.886 -6.155 1.00 41.41 H new ATOM 0 HD23 LEU A 73 0.509 5.899 -5.390 1.00 41.41 H new ATOM 1206 N SER A 74 3.352 3.932 -9.011 1.00 2.12 N ATOM 1207 CA SER A 74 3.844 3.044 -10.016 1.00 64.34 C ATOM 1208 C SER A 74 4.663 1.912 -9.375 1.00 33.12 C ATOM 1209 O SER A 74 4.637 0.764 -9.837 1.00 41.55 O ATOM 1210 CB SER A 74 4.674 3.842 -11.006 1.00 14.44 C ATOM 1211 OG SER A 74 3.907 4.917 -11.551 1.00 24.40 O ATOM 0 H SER A 74 4.031 4.624 -8.693 1.00 2.12 H new ATOM 0 HA SER A 74 3.013 2.579 -10.546 1.00 64.34 H new ATOM 0 HB2 SER A 74 5.562 4.236 -10.511 1.00 14.44 H new ATOM 0 HB3 SER A 74 5.019 3.190 -11.809 1.00 14.44 H new ATOM 0 HG SER A 74 3.820 5.628 -10.883 1.00 24.40 H new ATOM 1217 N GLU A 75 5.357 2.221 -8.286 1.00 34.44 N ATOM 1218 CA GLU A 75 6.153 1.219 -7.588 1.00 71.14 C ATOM 1219 C GLU A 75 5.235 0.304 -6.785 1.00 1.41 C ATOM 1220 O GLU A 75 5.588 -0.830 -6.449 1.00 15.40 O ATOM 1221 CB GLU A 75 7.193 1.879 -6.677 1.00 0.24 C ATOM 1222 CG GLU A 75 8.050 2.935 -7.371 1.00 4.42 C ATOM 1223 CD GLU A 75 8.730 2.448 -8.631 1.00 20.14 C ATOM 1224 OE1 GLU A 75 8.122 2.511 -9.724 1.00 61.22 O ATOM 1225 OE2 GLU A 75 9.904 2.025 -8.563 1.00 61.13 O ATOM 0 H GLU A 75 5.385 3.152 -7.869 1.00 34.44 H new ATOM 0 HA GLU A 75 6.692 0.624 -8.326 1.00 71.14 H new ATOM 0 HB2 GLU A 75 6.680 2.340 -5.833 1.00 0.24 H new ATOM 0 HB3 GLU A 75 7.846 1.107 -6.270 1.00 0.24 H new ATOM 0 HG2 GLU A 75 7.423 3.792 -7.617 1.00 4.42 H new ATOM 0 HG3 GLU A 75 8.810 3.286 -6.673 1.00 4.42 H new ATOM 1232 N PHE A 76 4.036 0.805 -6.508 1.00 22.53 N ATOM 1233 CA PHE A 76 2.992 0.049 -5.830 1.00 42.24 C ATOM 1234 C PHE A 76 2.616 -1.186 -6.646 1.00 52.52 C ATOM 1235 O PHE A 76 2.311 -2.222 -6.084 1.00 62.52 O ATOM 1236 CB PHE A 76 1.781 0.962 -5.551 1.00 33.41 C ATOM 1237 CG PHE A 76 0.691 0.337 -4.720 1.00 50.03 C ATOM 1238 CD1 PHE A 76 0.982 -0.286 -3.511 1.00 34.31 C ATOM 1239 CD2 PHE A 76 -0.620 0.387 -5.140 1.00 32.42 C ATOM 1240 CE1 PHE A 76 -0.022 -0.851 -2.749 1.00 4.33 C ATOM 1241 CE2 PHE A 76 -1.631 -0.175 -4.379 1.00 42.33 C ATOM 1242 CZ PHE A 76 -1.328 -0.796 -3.187 1.00 62.21 C ATOM 0 H PHE A 76 3.760 1.757 -6.751 1.00 22.53 H new ATOM 0 HA PHE A 76 3.362 -0.306 -4.868 1.00 42.24 H new ATOM 0 HB2 PHE A 76 2.132 1.862 -5.045 1.00 33.41 H new ATOM 0 HB3 PHE A 76 1.355 1.277 -6.504 1.00 33.41 H new ATOM 0 HD1 PHE A 76 2.004 -0.328 -3.164 1.00 34.31 H new ATOM 0 HD2 PHE A 76 -0.862 0.871 -6.075 1.00 32.42 H new ATOM 0 HE1 PHE A 76 0.215 -1.334 -1.813 1.00 4.33 H new ATOM 0 HE2 PHE A 76 -2.655 -0.127 -4.719 1.00 42.33 H new ATOM 0 HZ PHE A 76 -2.115 -1.240 -2.595 1.00 62.21 H new