USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 CYS SG : rot 180:sc= 0.409 USER MOD Set 1.2: A 65 TYR OH : rot 14:sc= 0.443 USER MOD Single : A 2 SER OG : rot 23:sc= 0.151 USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00944 USER MOD Single : A 6 TYR OH : rot 175:sc= 0.637 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -175:sc=-0.00027 (180deg=-0.0337) USER MOD Single : A 11 SER OG : rot 25:sc= 0.807 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00486) USER MOD Single : A 24 ASN : amide:sc= 1.23 K(o=1.2,f=-5.2!) USER MOD Single : A 28 GLN : amide:sc= 0.194 X(o=0.19,f=-0.095) USER MOD Single : A 33 ASN : amide:sc= 2.35 K(o=2.4,f=-0.51) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0026) USER MOD Single : A 50 ASN : amide:sc= -0.642! X(o=-0.64!,f=-0.21) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 1.01 K(o=1,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 33:sc= 0.478 USER MOD Single : A 71 GLN : amide:sc= -0.229! X(o=-0.23!,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -9.744 8.155 -14.235 1.00 4.24 N ATOM 2 CA SER A 2 -8.303 8.401 -14.306 1.00 3.26 C ATOM 3 C SER A 2 -7.529 7.218 -13.694 1.00 2.54 C ATOM 4 O SER A 2 -8.157 6.268 -13.206 1.00 3.74 O ATOM 5 CB SER A 2 -7.932 9.760 -13.694 1.00 4.63 C ATOM 6 OG SER A 2 -8.726 10.773 -14.287 1.00 5.45 O ATOM 0 HA SER A 2 -8.005 8.464 -15.352 1.00 3.26 H new ATOM 0 HB2 SER A 2 -8.091 9.742 -12.616 1.00 4.63 H new ATOM 0 HB3 SER A 2 -6.875 9.969 -13.857 1.00 4.63 H new ATOM 0 HG SER A 2 -9.543 10.375 -14.655 1.00 5.45 H new ATOM 12 N GLY A 3 -6.193 7.282 -13.788 1.00 1.33 N ATOM 13 CA GLY A 3 -5.213 6.347 -13.246 1.00 0.77 C ATOM 14 C GLY A 3 -5.578 4.873 -13.335 1.00 0.67 C ATOM 15 O GLY A 3 -6.324 4.437 -14.215 1.00 1.07 O ATOM 0 H GLY A 3 -5.741 8.050 -14.284 1.00 1.33 H new ATOM 0 HA2 GLY A 3 -4.268 6.499 -13.767 1.00 0.77 H new ATOM 0 HA3 GLY A 3 -5.043 6.596 -12.199 1.00 0.77 H new ATOM 19 N THR A 4 -5.004 4.064 -12.446 1.00 0.53 N ATOM 20 CA THR A 4 -5.447 2.701 -12.231 1.00 0.42 C ATOM 21 C THR A 4 -5.375 2.419 -10.748 1.00 0.40 C ATOM 22 O THR A 4 -4.377 2.748 -10.103 1.00 0.62 O ATOM 23 CB THR A 4 -4.614 1.708 -13.046 1.00 0.48 C ATOM 24 OG1 THR A 4 -4.654 2.139 -14.378 1.00 0.86 O ATOM 25 CG2 THR A 4 -5.219 0.303 -13.001 1.00 0.66 C ATOM 0 H THR A 4 -4.219 4.342 -11.858 1.00 0.53 H new ATOM 0 HA THR A 4 -6.474 2.580 -12.575 1.00 0.42 H new ATOM 0 HB THR A 4 -3.603 1.668 -12.640 1.00 0.48 H new ATOM 0 HG1 THR A 4 -4.129 1.528 -14.936 1.00 0.86 H new ATOM 0 HG21 THR A 4 -4.603 -0.377 -13.590 1.00 0.66 H new ATOM 0 HG22 THR A 4 -5.257 -0.044 -11.968 1.00 0.66 H new ATOM 0 HG23 THR A 4 -6.228 0.328 -13.413 1.00 0.66 H new ATOM 33 N ARG A 5 -6.441 1.805 -10.235 1.00 0.33 N ATOM 34 CA ARG A 5 -6.582 1.526 -8.833 1.00 0.35 C ATOM 35 C ARG A 5 -6.145 0.095 -8.573 1.00 0.37 C ATOM 36 O ARG A 5 -6.743 -0.866 -9.051 1.00 0.73 O ATOM 37 CB ARG A 5 -8.020 1.737 -8.374 1.00 0.58 C ATOM 38 CG ARG A 5 -8.038 1.576 -6.847 1.00 0.72 C ATOM 39 CD ARG A 5 -9.369 1.023 -6.364 1.00 0.87 C ATOM 40 NE ARG A 5 -10.307 2.121 -6.091 1.00 1.58 N ATOM 41 CZ ARG A 5 -11.456 1.995 -5.411 1.00 2.31 C ATOM 42 NH1 ARG A 5 -11.939 0.775 -5.156 1.00 2.70 N ATOM 43 NH2 ARG A 5 -12.100 3.087 -4.984 1.00 3.40 N ATOM 0 H ARG A 5 -7.231 1.490 -10.799 1.00 0.33 H new ATOM 0 HA ARG A 5 -5.954 2.213 -8.266 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -8.374 2.727 -8.661 1.00 0.58 H new ATOM 0 HB3 ARG A 5 -8.684 1.013 -8.845 1.00 0.58 H new ATOM 0 HG2 ARG A 5 -7.232 0.909 -6.540 1.00 0.72 H new ATOM 0 HG3 ARG A 5 -7.850 2.541 -6.376 1.00 0.72 H new ATOM 0 HD2 ARG A 5 -9.788 0.356 -7.117 1.00 0.87 H new ATOM 0 HD3 ARG A 5 -9.219 0.431 -5.461 1.00 0.87 H new ATOM 0 HE ARG A 5 -10.066 3.047 -6.445 1.00 1.58 H new ATOM 0 HH11 ARG A 5 -11.434 -0.051 -5.478 1.00 2.70 H new ATOM 0 HH12 ARG A 5 -12.812 0.670 -4.639 1.00 2.70 H new ATOM 0 HH21 ARG A 5 -11.717 4.013 -5.176 1.00 3.40 H new ATOM 0 HH22 ARG A 5 -12.974 2.994 -4.467 1.00 3.40 H new ATOM 57 N TYR A 6 -5.119 -0.004 -7.748 1.00 0.26 N ATOM 58 CA TYR A 6 -4.620 -1.230 -7.164 1.00 0.29 C ATOM 59 C TYR A 6 -5.107 -1.452 -5.743 1.00 0.38 C ATOM 60 O TYR A 6 -5.033 -0.535 -4.933 1.00 0.47 O ATOM 61 CB TYR A 6 -3.117 -1.196 -7.225 1.00 0.33 C ATOM 62 CG TYR A 6 -2.563 -0.768 -8.554 1.00 0.36 C ATOM 63 CD1 TYR A 6 -3.107 -1.311 -9.729 1.00 1.57 C ATOM 64 CD2 TYR A 6 -1.587 0.238 -8.622 1.00 1.79 C ATOM 65 CE1 TYR A 6 -2.722 -0.804 -10.972 1.00 1.52 C ATOM 66 CE2 TYR A 6 -1.133 0.672 -9.874 1.00 1.92 C ATOM 67 CZ TYR A 6 -1.729 0.184 -11.048 1.00 0.65 C ATOM 68 OH TYR A 6 -1.342 0.666 -12.255 1.00 0.85 O ATOM 0 H TYR A 6 -4.585 0.813 -7.453 1.00 0.26 H new ATOM 0 HA TYR A 6 -5.008 -2.073 -7.736 1.00 0.29 H new ATOM 0 HB2 TYR A 6 -2.749 -0.518 -6.455 1.00 0.33 H new ATOM 0 HB3 TYR A 6 -2.733 -2.188 -6.986 1.00 0.33 H new ATOM 0 HD1 TYR A 6 -3.821 -2.119 -9.672 1.00 1.57 H new ATOM 0 HD2 TYR A 6 -1.190 0.674 -7.717 1.00 1.79 H new ATOM 0 HE1 TYR A 6 -3.188 -1.172 -11.874 1.00 1.52 H new ATOM 0 HE2 TYR A 6 -0.323 1.383 -9.936 1.00 1.92 H new ATOM 0 HH TYR A 6 -0.703 1.398 -12.125 1.00 0.85 H new ATOM 78 N SER A 7 -5.557 -2.677 -5.445 1.00 0.40 N ATOM 79 CA SER A 7 -5.891 -3.145 -4.109 1.00 0.41 C ATOM 80 C SER A 7 -4.804 -4.117 -3.627 1.00 0.39 C ATOM 81 O SER A 7 -4.222 -4.829 -4.448 1.00 0.42 O ATOM 82 CB SER A 7 -7.265 -3.823 -4.162 1.00 0.40 C ATOM 83 OG SER A 7 -8.221 -2.946 -4.734 1.00 2.02 O ATOM 0 H SER A 7 -5.701 -3.390 -6.160 1.00 0.40 H new ATOM 0 HA SER A 7 -5.936 -2.315 -3.404 1.00 0.41 H new ATOM 0 HB2 SER A 7 -7.204 -4.739 -4.749 1.00 0.40 H new ATOM 0 HB3 SER A 7 -7.577 -4.108 -3.157 1.00 0.40 H new ATOM 0 HG SER A 7 -9.094 -3.389 -4.765 1.00 2.02 H new ATOM 89 N TRP A 8 -4.534 -4.156 -2.315 1.00 0.36 N ATOM 90 CA TRP A 8 -3.749 -5.210 -1.667 1.00 0.37 C ATOM 91 C TRP A 8 -4.426 -5.634 -0.365 1.00 0.36 C ATOM 92 O TRP A 8 -5.267 -4.905 0.167 1.00 0.40 O ATOM 93 CB TRP A 8 -2.336 -4.767 -1.302 1.00 0.39 C ATOM 94 CG TRP A 8 -1.415 -4.237 -2.339 1.00 0.39 C ATOM 95 CD1 TRP A 8 -0.248 -4.770 -2.725 1.00 0.51 C ATOM 96 CD2 TRP A 8 -1.463 -2.985 -3.040 1.00 0.44 C ATOM 97 NE1 TRP A 8 0.512 -3.731 -3.263 1.00 0.84 N ATOM 98 CE2 TRP A 8 -0.133 -2.503 -3.093 1.00 0.86 C ATOM 99 CE3 TRP A 8 -2.135 -2.608 -4.220 1.00 0.76 C ATOM 100 CZ2 TRP A 8 0.003 -1.255 -3.743 1.00 1.09 C ATOM 101 CZ3 TRP A 8 -1.279 -2.310 -5.330 1.00 0.71 C ATOM 102 CH2 TRP A 8 -0.312 -1.337 -5.088 1.00 0.48 C ATOM 0 H TRP A 8 -4.862 -3.442 -1.665 1.00 0.36 H new ATOM 0 HA TRP A 8 -3.691 -6.024 -2.389 1.00 0.37 H new ATOM 0 HB2 TRP A 8 -2.429 -4.000 -0.534 1.00 0.39 H new ATOM 0 HB3 TRP A 8 -1.841 -5.622 -0.841 1.00 0.39 H new ATOM 0 HD1 TRP A 8 0.048 -5.805 -2.637 1.00 0.51 H new ATOM 0 HE1 TRP A 8 1.416 -3.851 -3.719 1.00 0.84 H new ATOM 0 HE3 TRP A 8 -3.212 -2.548 -4.283 1.00 0.76 H new ATOM 0 HZ2 TRP A 8 0.315 -0.347 -3.249 1.00 1.09 H new ATOM 0 HZ3 TRP A 8 -1.377 -2.804 -6.285 1.00 0.71 H new ATOM 0 HH2 TRP A 8 0.136 -0.723 -5.855 1.00 0.48 H new ATOM 113 N LYS A 9 -3.990 -6.787 0.153 1.00 0.35 N ATOM 114 CA LYS A 9 -4.487 -7.436 1.356 1.00 0.32 C ATOM 115 C LYS A 9 -3.309 -7.616 2.313 1.00 0.36 C ATOM 116 O LYS A 9 -2.488 -8.502 2.077 1.00 0.57 O ATOM 117 CB LYS A 9 -5.138 -8.777 0.951 1.00 0.53 C ATOM 118 CG LYS A 9 -4.261 -9.683 0.056 1.00 1.68 C ATOM 119 CD LYS A 9 -5.093 -10.681 -0.758 1.00 1.15 C ATOM 120 CE LYS A 9 -5.832 -11.737 0.073 1.00 1.28 C ATOM 121 NZ LYS A 9 -4.919 -12.568 0.879 1.00 3.18 N ATOM 0 H LYS A 9 -3.238 -7.317 -0.286 1.00 0.35 H new ATOM 0 HA LYS A 9 -5.247 -6.843 1.865 1.00 0.32 H new ATOM 0 HB2 LYS A 9 -5.397 -9.326 1.856 1.00 0.53 H new ATOM 0 HB3 LYS A 9 -6.071 -8.568 0.428 1.00 0.53 H new ATOM 0 HG2 LYS A 9 -3.677 -9.062 -0.623 1.00 1.68 H new ATOM 0 HG3 LYS A 9 -3.552 -10.228 0.679 1.00 1.68 H new ATOM 0 HD2 LYS A 9 -5.824 -10.127 -1.347 1.00 1.15 H new ATOM 0 HD3 LYS A 9 -4.435 -11.190 -1.463 1.00 1.15 H new ATOM 0 HE2 LYS A 9 -6.544 -11.241 0.733 1.00 1.28 H new ATOM 0 HE3 LYS A 9 -6.409 -12.379 -0.593 1.00 1.28 H new ATOM 0 HZ1 LYS A 9 -5.461 -13.318 1.354 1.00 3.18 H new ATOM 0 HZ2 LYS A 9 -4.203 -12.998 0.259 1.00 3.18 H new ATOM 0 HZ3 LYS A 9 -4.449 -11.975 1.593 1.00 3.18 H new ATOM 135 N VAL A 10 -3.186 -6.776 3.346 1.00 0.34 N ATOM 136 CA VAL A 10 -2.040 -6.796 4.247 1.00 0.44 C ATOM 137 C VAL A 10 -2.369 -7.616 5.507 1.00 0.60 C ATOM 138 O VAL A 10 -3.477 -8.124 5.675 1.00 1.28 O ATOM 139 CB VAL A 10 -1.653 -5.344 4.601 1.00 0.51 C ATOM 140 CG1 VAL A 10 -0.171 -5.228 4.986 1.00 0.63 C ATOM 141 CG2 VAL A 10 -1.909 -4.345 3.459 1.00 0.46 C ATOM 0 H VAL A 10 -3.880 -6.065 3.577 1.00 0.34 H new ATOM 0 HA VAL A 10 -1.190 -7.274 3.759 1.00 0.44 H new ATOM 0 HB VAL A 10 -2.295 -5.091 5.445 1.00 0.51 H new ATOM 0 HG11 VAL A 10 0.062 -4.191 5.228 1.00 0.63 H new ATOM 0 HG12 VAL A 10 0.030 -5.857 5.853 1.00 0.63 H new ATOM 0 HG13 VAL A 10 0.449 -5.553 4.150 1.00 0.63 H new ATOM 0 HG21 VAL A 10 -1.614 -3.345 3.777 1.00 0.46 H new ATOM 0 HG22 VAL A 10 -1.325 -4.634 2.585 1.00 0.46 H new ATOM 0 HG23 VAL A 10 -2.969 -4.347 3.204 1.00 0.46 H new ATOM 151 N SER A 11 -1.391 -7.774 6.400 1.00 0.27 N ATOM 152 CA SER A 11 -1.530 -8.393 7.705 1.00 0.32 C ATOM 153 C SER A 11 -0.398 -7.855 8.581 1.00 0.38 C ATOM 154 O SER A 11 0.741 -8.279 8.409 1.00 0.54 O ATOM 155 CB SER A 11 -1.446 -9.913 7.531 1.00 0.43 C ATOM 156 OG SER A 11 -2.717 -10.405 7.141 1.00 1.39 O ATOM 0 H SER A 11 -0.439 -7.457 6.218 1.00 0.27 H new ATOM 0 HA SER A 11 -2.485 -8.164 8.177 1.00 0.32 H new ATOM 0 HB2 SER A 11 -0.698 -10.165 6.779 1.00 0.43 H new ATOM 0 HB3 SER A 11 -1.131 -10.382 8.463 1.00 0.43 H new ATOM 0 HG SER A 11 -3.219 -9.694 6.692 1.00 1.39 H new ATOM 162 N GLY A 12 -0.691 -6.900 9.472 1.00 0.42 N ATOM 163 CA GLY A 12 0.306 -6.316 10.366 1.00 0.57 C ATOM 164 C GLY A 12 0.001 -4.857 10.725 1.00 0.59 C ATOM 165 O GLY A 12 0.343 -4.401 11.815 1.00 0.75 O ATOM 0 H GLY A 12 -1.627 -6.513 9.590 1.00 0.42 H new ATOM 0 HA2 GLY A 12 0.358 -6.907 11.280 1.00 0.57 H new ATOM 0 HA3 GLY A 12 1.287 -6.372 9.894 1.00 0.57 H new ATOM 169 N MET A 13 -0.602 -4.107 9.796 1.00 0.51 N ATOM 170 CA MET A 13 -0.961 -2.707 10.002 1.00 0.54 C ATOM 171 C MET A 13 -2.068 -2.541 11.042 1.00 0.73 C ATOM 172 O MET A 13 -3.196 -2.224 10.674 1.00 1.11 O ATOM 173 CB MET A 13 -1.358 -2.037 8.675 1.00 0.63 C ATOM 174 CG MET A 13 -2.433 -2.786 7.864 1.00 1.59 C ATOM 175 SD MET A 13 -4.019 -1.930 7.647 1.00 2.44 S ATOM 176 CE MET A 13 -3.950 -1.496 5.896 1.00 1.87 C ATOM 0 H MET A 13 -0.855 -4.461 8.874 1.00 0.51 H new ATOM 0 HA MET A 13 -0.074 -2.207 10.391 1.00 0.54 H new ATOM 0 HB2 MET A 13 -1.720 -1.031 8.887 1.00 0.63 H new ATOM 0 HB3 MET A 13 -0.466 -1.932 8.057 1.00 0.63 H new ATOM 0 HG2 MET A 13 -2.025 -3.006 6.877 1.00 1.59 H new ATOM 0 HG3 MET A 13 -2.624 -3.742 8.351 1.00 1.59 H new ATOM 0 HE1 MET A 13 -4.859 -0.964 5.617 1.00 1.87 H new ATOM 0 HE2 MET A 13 -3.085 -0.858 5.713 1.00 1.87 H new ATOM 0 HE3 MET A 13 -3.863 -2.404 5.299 1.00 1.87 H new ATOM 186 N ASP A 14 -1.736 -2.688 12.326 1.00 0.89 N ATOM 187 CA ASP A 14 -2.691 -2.507 13.410 1.00 1.20 C ATOM 188 C ASP A 14 -2.255 -1.407 14.373 1.00 1.04 C ATOM 189 O ASP A 14 -2.071 -1.634 15.568 1.00 1.39 O ATOM 190 CB ASP A 14 -2.999 -3.845 14.091 1.00 1.75 C ATOM 191 CG ASP A 14 -3.906 -4.689 13.208 1.00 2.73 C ATOM 192 OD1 ASP A 14 -5.127 -4.434 13.268 1.00 2.93 O ATOM 193 OD2 ASP A 14 -3.358 -5.544 12.478 1.00 4.38 O ATOM 0 H ASP A 14 -0.797 -2.936 12.639 1.00 0.89 H new ATOM 0 HA ASP A 14 -3.633 -2.156 12.989 1.00 1.20 H new ATOM 0 HB2 ASP A 14 -2.071 -4.382 14.290 1.00 1.75 H new ATOM 0 HB3 ASP A 14 -3.478 -3.669 15.054 1.00 1.75 H new ATOM 198 N CYS A 15 -2.135 -0.180 13.858 1.00 0.67 N ATOM 199 CA CYS A 15 -2.021 1.012 14.687 1.00 0.57 C ATOM 200 C CYS A 15 -2.053 2.269 13.830 1.00 0.83 C ATOM 201 O CYS A 15 -1.637 2.251 12.666 1.00 2.27 O ATOM 202 CB CYS A 15 -0.748 1.003 15.551 1.00 0.67 C ATOM 203 SG CYS A 15 -1.231 0.930 17.291 1.00 1.36 S ATOM 0 H CYS A 15 -2.115 0.009 12.856 1.00 0.67 H new ATOM 0 HA CYS A 15 -2.879 1.010 15.360 1.00 0.57 H new ATOM 0 HB2 CYS A 15 -0.124 0.147 15.296 1.00 0.67 H new ATOM 0 HB3 CYS A 15 -0.155 1.898 15.360 1.00 0.67 H new ATOM 0 HG CYS A 15 -0.166 0.919 18.037 1.00 1.36 H new ATOM 209 N ALA A 16 -2.470 3.388 14.436 1.00 0.97 N ATOM 210 CA ALA A 16 -2.659 4.686 13.789 1.00 1.07 C ATOM 211 C ALA A 16 -1.332 5.408 13.497 1.00 1.27 C ATOM 212 O ALA A 16 -1.240 6.633 13.611 1.00 2.39 O ATOM 213 CB ALA A 16 -3.572 5.537 14.684 1.00 1.52 C ATOM 0 H ALA A 16 -2.693 3.411 15.431 1.00 0.97 H new ATOM 0 HA ALA A 16 -3.122 4.528 12.815 1.00 1.07 H new ATOM 0 HB1 ALA A 16 -3.728 6.512 14.222 1.00 1.52 H new ATOM 0 HB2 ALA A 16 -4.532 5.035 14.806 1.00 1.52 H new ATOM 0 HB3 ALA A 16 -3.105 5.669 15.660 1.00 1.52 H new ATOM 219 N ALA A 17 -0.317 4.645 13.090 1.00 1.02 N ATOM 220 CA ALA A 17 1.068 5.046 12.891 1.00 0.95 C ATOM 221 C ALA A 17 1.680 4.164 11.801 1.00 0.67 C ATOM 222 O ALA A 17 2.188 4.663 10.797 1.00 0.84 O ATOM 223 CB ALA A 17 1.836 4.903 14.209 1.00 1.22 C ATOM 0 H ALA A 17 -0.457 3.658 12.876 1.00 1.02 H new ATOM 0 HA ALA A 17 1.123 6.088 12.577 1.00 0.95 H new ATOM 0 HB1 ALA A 17 2.873 5.203 14.060 1.00 1.22 H new ATOM 0 HB2 ALA A 17 1.379 5.539 14.967 1.00 1.22 H new ATOM 0 HB3 ALA A 17 1.803 3.865 14.539 1.00 1.22 H new ATOM 229 N CYS A 18 1.556 2.840 11.953 1.00 0.44 N ATOM 230 CA CYS A 18 1.925 1.894 10.909 1.00 0.40 C ATOM 231 C CYS A 18 1.072 2.196 9.685 1.00 0.38 C ATOM 232 O CYS A 18 1.552 2.174 8.552 1.00 0.35 O ATOM 233 CB CYS A 18 1.717 0.453 11.384 1.00 0.53 C ATOM 234 SG CYS A 18 3.064 -0.013 12.502 1.00 1.98 S ATOM 0 H CYS A 18 1.198 2.402 12.802 1.00 0.44 H new ATOM 0 HA CYS A 18 2.981 1.997 10.661 1.00 0.40 H new ATOM 0 HB2 CYS A 18 0.758 0.362 11.894 1.00 0.53 H new ATOM 0 HB3 CYS A 18 1.689 -0.223 10.529 1.00 0.53 H new ATOM 0 HG CYS A 18 2.888 -1.235 12.908 1.00 1.98 H new ATOM 240 N ALA A 19 -0.185 2.576 9.937 1.00 0.52 N ATOM 241 CA ALA A 19 -1.076 3.043 8.897 1.00 0.65 C ATOM 242 C ALA A 19 -0.449 4.169 8.069 1.00 0.65 C ATOM 243 O ALA A 19 -0.668 4.236 6.864 1.00 0.86 O ATOM 244 CB ALA A 19 -2.418 3.471 9.491 1.00 0.85 C ATOM 0 H ALA A 19 -0.602 2.565 10.868 1.00 0.52 H new ATOM 0 HA ALA A 19 -1.253 2.211 8.216 1.00 0.65 H new ATOM 0 HB1 ALA A 19 -3.074 3.819 8.693 1.00 0.85 H new ATOM 0 HB2 ALA A 19 -2.879 2.623 9.996 1.00 0.85 H new ATOM 0 HB3 ALA A 19 -2.258 4.277 10.207 1.00 0.85 H new ATOM 250 N ARG A 20 0.350 5.056 8.677 1.00 0.54 N ATOM 251 CA ARG A 20 1.023 6.069 7.903 1.00 0.61 C ATOM 252 C ARG A 20 2.166 5.426 7.139 1.00 0.54 C ATOM 253 O ARG A 20 2.311 5.656 5.947 1.00 0.61 O ATOM 254 CB ARG A 20 1.487 7.243 8.754 1.00 0.66 C ATOM 255 CG ARG A 20 0.263 7.958 9.346 1.00 0.81 C ATOM 256 CD ARG A 20 0.544 8.625 10.702 1.00 0.93 C ATOM 257 NE ARG A 20 -0.576 8.421 11.637 1.00 1.85 N ATOM 258 CZ ARG A 20 -1.838 8.844 11.471 1.00 2.63 C ATOM 259 NH1 ARG A 20 -2.172 9.600 10.420 1.00 3.70 N ATOM 260 NH2 ARG A 20 -2.754 8.474 12.368 1.00 3.55 N ATOM 0 H ARG A 20 0.534 5.082 9.680 1.00 0.54 H new ATOM 0 HA ARG A 20 0.314 6.495 7.193 1.00 0.61 H new ATOM 0 HB2 ARG A 20 2.139 6.892 9.554 1.00 0.66 H new ATOM 0 HB3 ARG A 20 2.070 7.937 8.149 1.00 0.66 H new ATOM 0 HG2 ARG A 20 -0.083 8.715 8.642 1.00 0.81 H new ATOM 0 HG3 ARG A 20 -0.547 7.239 9.464 1.00 0.81 H new ATOM 0 HD2 ARG A 20 1.458 8.214 11.130 1.00 0.93 H new ATOM 0 HD3 ARG A 20 0.711 9.692 10.558 1.00 0.93 H new ATOM 0 HE ARG A 20 -0.372 7.908 12.495 1.00 1.85 H new ATOM 0 HH11 ARG A 20 -1.464 9.861 9.734 1.00 3.70 H new ATOM 0 HH12 ARG A 20 -3.135 9.916 10.304 1.00 3.70 H new ATOM 0 HH21 ARG A 20 -2.487 7.884 13.156 1.00 3.55 H new ATOM 0 HH22 ARG A 20 -3.721 8.782 12.266 1.00 3.55 H new ATOM 274 N LYS A 21 2.991 4.614 7.800 1.00 0.42 N ATOM 275 CA LYS A 21 4.111 3.964 7.133 1.00 0.36 C ATOM 276 C LYS A 21 3.664 3.275 5.831 1.00 0.35 C ATOM 277 O LYS A 21 4.368 3.358 4.831 1.00 0.39 O ATOM 278 CB LYS A 21 4.790 3.021 8.128 1.00 0.36 C ATOM 279 CG LYS A 21 5.645 3.826 9.123 1.00 1.02 C ATOM 280 CD LYS A 21 6.032 3.016 10.373 1.00 1.67 C ATOM 281 CE LYS A 21 7.472 2.474 10.362 1.00 2.21 C ATOM 282 NZ LYS A 21 8.486 3.541 10.507 1.00 2.79 N ATOM 0 H LYS A 21 2.903 4.393 8.792 1.00 0.42 H new ATOM 0 HA LYS A 21 4.848 4.703 6.819 1.00 0.36 H new ATOM 0 HB2 LYS A 21 4.037 2.445 8.667 1.00 0.36 H new ATOM 0 HB3 LYS A 21 5.416 2.306 7.594 1.00 0.36 H new ATOM 0 HG2 LYS A 21 6.551 4.167 8.622 1.00 1.02 H new ATOM 0 HG3 LYS A 21 5.096 4.716 9.429 1.00 1.02 H new ATOM 0 HD2 LYS A 21 5.901 3.645 11.253 1.00 1.67 H new ATOM 0 HD3 LYS A 21 5.343 2.178 10.475 1.00 1.67 H new ATOM 0 HE2 LYS A 21 7.591 1.754 11.171 1.00 2.21 H new ATOM 0 HE3 LYS A 21 7.646 1.937 9.429 1.00 2.21 H new ATOM 0 HZ1 LYS A 21 9.357 3.262 10.012 1.00 2.79 H new ATOM 0 HZ2 LYS A 21 8.122 4.424 10.095 1.00 2.79 H new ATOM 0 HZ3 LYS A 21 8.693 3.689 11.515 1.00 2.79 H new ATOM 296 N VAL A 22 2.468 2.684 5.813 1.00 0.37 N ATOM 297 CA VAL A 22 1.827 2.161 4.619 1.00 0.46 C ATOM 298 C VAL A 22 1.690 3.229 3.526 1.00 0.48 C ATOM 299 O VAL A 22 2.135 3.003 2.403 1.00 0.64 O ATOM 300 CB VAL A 22 0.456 1.577 4.999 1.00 0.53 C ATOM 301 CG1 VAL A 22 -0.375 1.185 3.779 1.00 0.68 C ATOM 302 CG2 VAL A 22 0.594 0.315 5.860 1.00 0.56 C ATOM 0 H VAL A 22 1.908 2.555 6.656 1.00 0.37 H new ATOM 0 HA VAL A 22 2.455 1.373 4.204 1.00 0.46 H new ATOM 0 HB VAL A 22 -0.042 2.374 5.551 1.00 0.53 H new ATOM 0 HG11 VAL A 22 -1.332 0.779 4.106 1.00 0.68 H new ATOM 0 HG12 VAL A 22 -0.547 2.064 3.158 1.00 0.68 H new ATOM 0 HG13 VAL A 22 0.160 0.432 3.201 1.00 0.68 H new ATOM 0 HG21 VAL A 22 -0.397 -0.067 6.107 1.00 0.56 H new ATOM 0 HG22 VAL A 22 1.148 -0.444 5.307 1.00 0.56 H new ATOM 0 HG23 VAL A 22 1.129 0.558 6.778 1.00 0.56 H new ATOM 312 N GLU A 23 1.055 4.375 3.807 1.00 0.34 N ATOM 313 CA GLU A 23 0.852 5.368 2.762 1.00 0.33 C ATOM 314 C GLU A 23 2.210 5.916 2.342 1.00 0.32 C ATOM 315 O GLU A 23 2.491 6.058 1.164 1.00 0.34 O ATOM 316 CB GLU A 23 -0.131 6.488 3.142 1.00 0.37 C ATOM 317 CG GLU A 23 0.275 7.240 4.408 1.00 0.43 C ATOM 318 CD GLU A 23 -0.478 8.543 4.612 1.00 0.57 C ATOM 319 OE1 GLU A 23 -1.572 8.485 5.208 1.00 1.58 O ATOM 320 OE2 GLU A 23 0.091 9.579 4.199 1.00 1.85 O ATOM 0 H GLU A 23 0.685 4.627 4.724 1.00 0.34 H new ATOM 0 HA GLU A 23 0.373 4.871 1.918 1.00 0.33 H new ATOM 0 HB2 GLU A 23 -0.204 7.194 2.315 1.00 0.37 H new ATOM 0 HB3 GLU A 23 -1.123 6.059 3.284 1.00 0.37 H new ATOM 0 HG2 GLU A 23 0.109 6.596 5.272 1.00 0.43 H new ATOM 0 HG3 GLU A 23 1.344 7.451 4.368 1.00 0.43 H new ATOM 327 N ASN A 24 3.085 6.209 3.298 1.00 0.30 N ATOM 328 CA ASN A 24 4.379 6.804 3.009 1.00 0.31 C ATOM 329 C ASN A 24 5.247 5.830 2.217 1.00 0.33 C ATOM 330 O ASN A 24 6.042 6.264 1.384 1.00 0.38 O ATOM 331 CB ASN A 24 5.061 7.267 4.292 1.00 0.31 C ATOM 332 CG ASN A 24 4.337 8.457 4.920 1.00 0.40 C ATOM 333 OD1 ASN A 24 4.614 9.613 4.616 1.00 0.63 O ATOM 334 ND2 ASN A 24 3.358 8.176 5.768 1.00 0.45 N ATOM 0 H ASN A 24 2.916 6.041 4.290 1.00 0.30 H new ATOM 0 HA ASN A 24 4.230 7.688 2.389 1.00 0.31 H new ATOM 0 HB2 ASN A 24 5.093 6.443 5.005 1.00 0.31 H new ATOM 0 HB3 ASN A 24 6.093 7.542 4.076 1.00 0.31 H new ATOM 0 HD21 ASN A 24 2.813 8.930 6.186 1.00 0.45 H new ATOM 0 HD22 ASN A 24 3.149 7.206 6.003 1.00 0.45 H new ATOM 341 N ALA A 25 5.070 4.520 2.432 1.00 0.35 N ATOM 342 CA ALA A 25 5.688 3.500 1.594 1.00 0.37 C ATOM 343 C ALA A 25 5.314 3.663 0.122 1.00 0.27 C ATOM 344 O ALA A 25 6.066 3.191 -0.726 1.00 0.31 O ATOM 345 CB ALA A 25 5.361 2.090 2.096 1.00 0.48 C ATOM 0 H ALA A 25 4.497 4.145 3.188 1.00 0.35 H new ATOM 0 HA ALA A 25 6.766 3.639 1.669 1.00 0.37 H new ATOM 0 HB1 ALA A 25 5.837 1.354 1.449 1.00 0.48 H new ATOM 0 HB2 ALA A 25 5.731 1.971 3.114 1.00 0.48 H new ATOM 0 HB3 ALA A 25 4.281 1.940 2.083 1.00 0.48 H new ATOM 351 N VAL A 26 4.199 4.335 -0.196 1.00 0.24 N ATOM 352 CA VAL A 26 3.784 4.589 -1.564 1.00 0.30 C ATOM 353 C VAL A 26 3.974 6.044 -1.990 1.00 0.22 C ATOM 354 O VAL A 26 4.387 6.319 -3.112 1.00 0.26 O ATOM 355 CB VAL A 26 2.361 4.084 -1.783 1.00 0.52 C ATOM 356 CG1 VAL A 26 2.246 2.647 -1.280 1.00 1.83 C ATOM 357 CG2 VAL A 26 1.196 4.892 -1.226 1.00 1.70 C ATOM 0 H VAL A 26 3.561 4.717 0.502 1.00 0.24 H new ATOM 0 HA VAL A 26 4.445 4.024 -2.222 1.00 0.30 H new ATOM 0 HB VAL A 26 2.242 4.187 -2.862 1.00 0.52 H new ATOM 0 HG11 VAL A 26 1.229 2.287 -1.437 1.00 1.83 H new ATOM 0 HG12 VAL A 26 2.944 2.013 -1.827 1.00 1.83 H new ATOM 0 HG13 VAL A 26 2.483 2.614 -0.217 1.00 1.83 H new ATOM 0 HG21 VAL A 26 0.258 4.394 -1.470 1.00 1.70 H new ATOM 0 HG22 VAL A 26 1.293 4.972 -0.143 1.00 1.70 H new ATOM 0 HG23 VAL A 26 1.202 5.889 -1.665 1.00 1.70 H new ATOM 367 N ARG A 27 3.714 7.001 -1.104 1.00 0.22 N ATOM 368 CA ARG A 27 3.897 8.414 -1.424 1.00 0.23 C ATOM 369 C ARG A 27 5.348 8.708 -1.811 1.00 0.24 C ATOM 370 O ARG A 27 5.616 9.662 -2.535 1.00 0.37 O ATOM 371 CB ARG A 27 3.465 9.306 -0.257 1.00 0.29 C ATOM 372 CG ARG A 27 1.953 9.204 0.009 1.00 0.42 C ATOM 373 CD ARG A 27 1.431 10.378 0.844 1.00 0.80 C ATOM 374 NE ARG A 27 2.029 10.411 2.189 1.00 1.12 N ATOM 375 CZ ARG A 27 1.996 11.474 3.009 1.00 1.55 C ATOM 376 NH1 ARG A 27 1.281 12.553 2.670 1.00 2.09 N ATOM 377 NH2 ARG A 27 2.707 11.478 4.140 1.00 2.67 N ATOM 0 H ARG A 27 3.376 6.824 -0.158 1.00 0.22 H new ATOM 0 HA ARG A 27 3.262 8.641 -2.280 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.012 9.020 0.641 1.00 0.29 H new ATOM 0 HB3 ARG A 27 3.727 10.341 -0.474 1.00 0.29 H new ATOM 0 HG2 ARG A 27 1.420 9.171 -0.941 1.00 0.42 H new ATOM 0 HG3 ARG A 27 1.739 8.269 0.527 1.00 0.42 H new ATOM 0 HD2 ARG A 27 1.648 11.314 0.328 1.00 0.80 H new ATOM 0 HD3 ARG A 27 0.347 10.306 0.932 1.00 0.80 H new ATOM 0 HE ARG A 27 2.500 9.569 2.520 1.00 1.12 H new ATOM 0 HH11 ARG A 27 0.763 12.566 1.791 1.00 2.09 H new ATOM 0 HH12 ARG A 27 1.254 13.362 3.290 1.00 2.09 H new ATOM 0 HH21 ARG A 27 3.280 10.670 4.385 1.00 2.67 H new ATOM 0 HH22 ARG A 27 2.677 12.289 4.758 1.00 2.67 H new ATOM 391 N GLN A 28 6.282 7.876 -1.344 1.00 0.22 N ATOM 392 CA GLN A 28 7.692 7.984 -1.687 1.00 0.25 C ATOM 393 C GLN A 28 7.992 7.652 -3.155 1.00 0.23 C ATOM 394 O GLN A 28 9.125 7.848 -3.585 1.00 0.28 O ATOM 395 CB GLN A 28 8.536 7.174 -0.701 1.00 0.29 C ATOM 396 CG GLN A 28 8.307 5.661 -0.797 1.00 0.31 C ATOM 397 CD GLN A 28 9.037 4.944 0.332 1.00 0.38 C ATOM 398 OE1 GLN A 28 9.955 4.162 0.108 1.00 0.47 O ATOM 399 NE2 GLN A 28 8.649 5.233 1.569 1.00 0.53 N ATOM 0 H GLN A 28 6.073 7.103 -0.712 1.00 0.22 H new ATOM 0 HA GLN A 28 7.976 9.032 -1.589 1.00 0.25 H new ATOM 0 HB2 GLN A 28 9.590 7.386 -0.879 1.00 0.29 H new ATOM 0 HB3 GLN A 28 8.311 7.504 0.313 1.00 0.29 H new ATOM 0 HG2 GLN A 28 7.240 5.444 -0.745 1.00 0.31 H new ATOM 0 HG3 GLN A 28 8.661 5.293 -1.760 1.00 0.31 H new ATOM 0 HE21 GLN A 28 7.882 5.888 1.723 1.00 0.53 H new ATOM 0 HE22 GLN A 28 9.118 4.800 2.365 1.00 0.53 H new ATOM 408 N LEU A 29 7.036 7.057 -3.882 1.00 0.20 N ATOM 409 CA LEU A 29 7.182 6.654 -5.271 1.00 0.22 C ATOM 410 C LEU A 29 7.242 7.908 -6.162 1.00 0.26 C ATOM 411 O LEU A 29 8.183 8.690 -6.083 1.00 0.39 O ATOM 412 CB LEU A 29 6.034 5.693 -5.636 1.00 0.25 C ATOM 413 CG LEU A 29 5.871 4.375 -4.836 1.00 0.33 C ATOM 414 CD1 LEU A 29 6.064 3.184 -5.760 1.00 0.38 C ATOM 415 CD2 LEU A 29 6.772 4.083 -3.631 1.00 0.73 C ATOM 0 H LEU A 29 6.115 6.840 -3.500 1.00 0.20 H new ATOM 0 HA LEU A 29 8.114 6.113 -5.433 1.00 0.22 H new ATOM 0 HB2 LEU A 29 5.100 6.248 -5.548 1.00 0.25 H new ATOM 0 HB3 LEU A 29 6.149 5.427 -6.687 1.00 0.25 H new ATOM 0 HG LEU A 29 4.873 4.526 -4.425 1.00 0.33 H new ATOM 0 HD11 LEU A 29 5.948 2.261 -5.192 1.00 0.38 H new ATOM 0 HD12 LEU A 29 5.320 3.216 -6.556 1.00 0.38 H new ATOM 0 HD13 LEU A 29 7.063 3.219 -6.196 1.00 0.38 H new ATOM 0 HD21 LEU A 29 6.506 3.116 -3.204 1.00 0.73 H new ATOM 0 HD22 LEU A 29 7.814 4.064 -3.952 1.00 0.73 H new ATOM 0 HD23 LEU A 29 6.638 4.861 -2.879 1.00 0.73 H new ATOM 427 N ALA A 30 6.245 8.098 -7.027 1.00 0.23 N ATOM 428 CA ALA A 30 6.135 9.219 -7.952 1.00 0.26 C ATOM 429 C ALA A 30 4.824 9.085 -8.719 1.00 0.26 C ATOM 430 O ALA A 30 4.048 10.028 -8.820 1.00 0.28 O ATOM 431 CB ALA A 30 7.308 9.231 -8.939 1.00 0.30 C ATOM 0 H ALA A 30 5.463 7.448 -7.103 1.00 0.23 H new ATOM 0 HA ALA A 30 6.156 10.152 -7.389 1.00 0.26 H new ATOM 0 HB1 ALA A 30 7.203 10.077 -9.619 1.00 0.30 H new ATOM 0 HB2 ALA A 30 8.245 9.321 -8.389 1.00 0.30 H new ATOM 0 HB3 ALA A 30 7.311 8.304 -9.512 1.00 0.30 H new ATOM 437 N GLY A 31 4.589 7.885 -9.258 1.00 0.26 N ATOM 438 CA GLY A 31 3.438 7.621 -10.117 1.00 0.29 C ATOM 439 C GLY A 31 2.120 7.523 -9.343 1.00 0.28 C ATOM 440 O GLY A 31 1.044 7.584 -9.936 1.00 0.38 O ATOM 0 H GLY A 31 5.190 7.074 -9.110 1.00 0.26 H new ATOM 0 HA2 GLY A 31 3.358 8.414 -10.860 1.00 0.29 H new ATOM 0 HA3 GLY A 31 3.603 6.691 -10.660 1.00 0.29 H new ATOM 444 N VAL A 32 2.202 7.312 -8.025 1.00 0.21 N ATOM 445 CA VAL A 32 1.049 7.272 -7.138 1.00 0.21 C ATOM 446 C VAL A 32 0.269 8.588 -7.200 1.00 0.32 C ATOM 447 O VAL A 32 0.847 9.660 -7.044 1.00 0.45 O ATOM 448 CB VAL A 32 1.519 6.947 -5.711 1.00 0.26 C ATOM 449 CG1 VAL A 32 0.367 7.021 -4.699 1.00 0.39 C ATOM 450 CG2 VAL A 32 2.125 5.539 -5.681 1.00 0.24 C ATOM 0 H VAL A 32 3.089 7.163 -7.543 1.00 0.21 H new ATOM 0 HA VAL A 32 0.365 6.487 -7.461 1.00 0.21 H new ATOM 0 HB VAL A 32 2.265 7.690 -5.429 1.00 0.26 H new ATOM 0 HG11 VAL A 32 0.742 6.785 -3.703 1.00 0.39 H new ATOM 0 HG12 VAL A 32 -0.053 8.027 -4.699 1.00 0.39 H new ATOM 0 HG13 VAL A 32 -0.406 6.304 -4.975 1.00 0.39 H new ATOM 0 HG21 VAL A 32 2.459 5.308 -4.669 1.00 0.24 H new ATOM 0 HG22 VAL A 32 1.373 4.813 -5.990 1.00 0.24 H new ATOM 0 HG23 VAL A 32 2.975 5.494 -6.362 1.00 0.24 H new ATOM 460 N ASN A 33 -1.050 8.485 -7.379 1.00 0.40 N ATOM 461 CA ASN A 33 -1.976 9.602 -7.433 1.00 0.64 C ATOM 462 C ASN A 33 -2.634 9.753 -6.068 1.00 0.48 C ATOM 463 O ASN A 33 -2.534 10.799 -5.431 1.00 0.67 O ATOM 464 CB ASN A 33 -3.082 9.343 -8.471 1.00 1.14 C ATOM 465 CG ASN A 33 -2.577 9.089 -9.881 1.00 1.02 C ATOM 466 OD1 ASN A 33 -1.639 9.733 -10.338 1.00 2.12 O ATOM 467 ND2 ASN A 33 -3.218 8.160 -10.578 1.00 1.05 N ATOM 0 H ASN A 33 -1.513 7.583 -7.494 1.00 0.40 H new ATOM 0 HA ASN A 33 -1.426 10.501 -7.711 1.00 0.64 H new ATOM 0 HB2 ASN A 33 -3.670 8.484 -8.149 1.00 1.14 H new ATOM 0 HB3 ASN A 33 -3.754 10.201 -8.489 1.00 1.14 H new ATOM 0 HD21 ASN A 33 -2.936 7.956 -11.537 1.00 1.05 H new ATOM 0 HD22 ASN A 33 -3.993 7.650 -10.155 1.00 1.05 H new ATOM 474 N GLN A 34 -3.379 8.720 -5.654 1.00 0.48 N ATOM 475 CA GLN A 34 -4.323 8.783 -4.547 1.00 0.54 C ATOM 476 C GLN A 34 -4.277 7.442 -3.814 1.00 0.54 C ATOM 477 O GLN A 34 -4.728 6.429 -4.343 1.00 1.25 O ATOM 478 CB GLN A 34 -5.743 9.061 -5.078 1.00 0.71 C ATOM 479 CG GLN A 34 -5.900 10.408 -5.803 1.00 1.25 C ATOM 480 CD GLN A 34 -7.097 10.394 -6.748 1.00 0.96 C ATOM 481 OE1 GLN A 34 -8.114 11.024 -6.481 1.00 1.33 O ATOM 482 NE2 GLN A 34 -6.988 9.675 -7.864 1.00 1.06 N ATOM 0 H GLN A 34 -3.336 7.800 -6.093 1.00 0.48 H new ATOM 0 HA GLN A 34 -4.058 9.591 -3.865 1.00 0.54 H new ATOM 0 HB2 GLN A 34 -6.025 8.260 -5.761 1.00 0.71 H new ATOM 0 HB3 GLN A 34 -6.442 9.029 -4.243 1.00 0.71 H new ATOM 0 HG2 GLN A 34 -6.022 11.206 -5.070 1.00 1.25 H new ATOM 0 HG3 GLN A 34 -4.993 10.628 -6.366 1.00 1.25 H new ATOM 0 HE21 GLN A 34 -6.128 9.162 -8.058 1.00 1.06 H new ATOM 0 HE22 GLN A 34 -7.764 9.638 -8.525 1.00 1.06 H new ATOM 491 N VAL A 35 -3.720 7.420 -2.605 1.00 0.38 N ATOM 492 CA VAL A 35 -3.630 6.223 -1.780 1.00 0.34 C ATOM 493 C VAL A 35 -4.698 6.278 -0.693 1.00 0.40 C ATOM 494 O VAL A 35 -4.911 7.338 -0.107 1.00 0.55 O ATOM 495 CB VAL A 35 -2.205 6.072 -1.214 1.00 0.44 C ATOM 496 CG1 VAL A 35 -1.577 7.392 -0.744 1.00 1.26 C ATOM 497 CG2 VAL A 35 -2.171 5.055 -0.064 1.00 1.35 C ATOM 0 H VAL A 35 -3.313 8.247 -2.167 1.00 0.38 H new ATOM 0 HA VAL A 35 -3.820 5.334 -2.381 1.00 0.34 H new ATOM 0 HB VAL A 35 -1.605 5.713 -2.050 1.00 0.44 H new ATOM 0 HG11 VAL A 35 -0.575 7.202 -0.359 1.00 1.26 H new ATOM 0 HG12 VAL A 35 -1.518 8.086 -1.583 1.00 1.26 H new ATOM 0 HG13 VAL A 35 -2.192 7.827 0.044 1.00 1.26 H new ATOM 0 HG21 VAL A 35 -1.153 4.969 0.316 1.00 1.35 H new ATOM 0 HG22 VAL A 35 -2.830 5.390 0.737 1.00 1.35 H new ATOM 0 HG23 VAL A 35 -2.506 4.083 -0.427 1.00 1.35 H new ATOM 507 N GLN A 36 -5.358 5.149 -0.410 1.00 0.39 N ATOM 508 CA GLN A 36 -6.218 5.010 0.742 1.00 0.60 C ATOM 509 C GLN A 36 -5.958 3.651 1.410 1.00 0.38 C ATOM 510 O GLN A 36 -6.289 2.588 0.886 1.00 0.45 O ATOM 511 CB GLN A 36 -7.673 5.251 0.328 1.00 1.05 C ATOM 512 CG GLN A 36 -8.153 4.243 -0.720 1.00 1.10 C ATOM 513 CD GLN A 36 -9.004 4.859 -1.829 1.00 1.07 C ATOM 514 OE1 GLN A 36 -10.130 4.435 -2.072 1.00 1.65 O ATOM 515 NE2 GLN A 36 -8.455 5.837 -2.545 1.00 1.26 N ATOM 0 H GLN A 36 -5.302 4.309 -0.985 1.00 0.39 H new ATOM 0 HA GLN A 36 -5.997 5.763 1.498 1.00 0.60 H new ATOM 0 HB2 GLN A 36 -8.314 5.190 1.208 1.00 1.05 H new ATOM 0 HB3 GLN A 36 -7.773 6.261 -0.070 1.00 1.05 H new ATOM 0 HG2 GLN A 36 -7.285 3.759 -1.168 1.00 1.10 H new ATOM 0 HG3 GLN A 36 -8.731 3.464 -0.222 1.00 1.10 H new ATOM 0 HE21 GLN A 36 -7.517 6.169 -2.320 1.00 1.26 H new ATOM 0 HE22 GLN A 36 -8.972 6.255 -3.319 1.00 1.26 H new ATOM 524 N VAL A 37 -5.377 3.719 2.603 1.00 0.29 N ATOM 525 CA VAL A 37 -5.175 2.648 3.553 1.00 0.27 C ATOM 526 C VAL A 37 -6.404 2.701 4.456 1.00 0.27 C ATOM 527 O VAL A 37 -6.717 3.744 5.028 1.00 0.46 O ATOM 528 CB VAL A 37 -3.855 2.861 4.352 1.00 0.49 C ATOM 529 CG1 VAL A 37 -2.814 3.691 3.585 1.00 1.47 C ATOM 530 CG2 VAL A 37 -3.994 3.528 5.729 1.00 1.83 C ATOM 0 H VAL A 37 -5.007 4.603 2.953 1.00 0.29 H new ATOM 0 HA VAL A 37 -5.071 1.674 3.075 1.00 0.27 H new ATOM 0 HB VAL A 37 -3.534 1.829 4.495 1.00 0.49 H new ATOM 0 HG11 VAL A 37 -1.918 3.804 4.195 1.00 1.47 H new ATOM 0 HG12 VAL A 37 -2.558 3.184 2.654 1.00 1.47 H new ATOM 0 HG13 VAL A 37 -3.226 4.675 3.361 1.00 1.47 H new ATOM 0 HG21 VAL A 37 -3.010 3.623 6.188 1.00 1.83 H new ATOM 0 HG22 VAL A 37 -4.436 4.517 5.611 1.00 1.83 H new ATOM 0 HG23 VAL A 37 -4.635 2.918 6.366 1.00 1.83 H new ATOM 540 N LEU A 38 -7.136 1.595 4.552 1.00 0.26 N ATOM 541 CA LEU A 38 -8.231 1.468 5.484 1.00 0.28 C ATOM 542 C LEU A 38 -7.715 0.544 6.578 1.00 0.35 C ATOM 543 O LEU A 38 -7.874 -0.676 6.522 1.00 0.47 O ATOM 544 CB LEU A 38 -9.458 0.972 4.721 1.00 0.35 C ATOM 545 CG LEU A 38 -10.582 0.428 5.607 1.00 0.43 C ATOM 546 CD1 LEU A 38 -10.916 1.355 6.780 1.00 0.56 C ATOM 547 CD2 LEU A 38 -11.853 0.219 4.773 1.00 0.45 C ATOM 0 H LEU A 38 -6.979 0.765 3.981 1.00 0.26 H new ATOM 0 HA LEU A 38 -8.555 2.397 5.953 1.00 0.28 H new ATOM 0 HB2 LEU A 38 -9.851 1.792 4.120 1.00 0.35 H new ATOM 0 HB3 LEU A 38 -9.147 0.189 4.029 1.00 0.35 H new ATOM 0 HG LEU A 38 -10.224 -0.517 6.016 1.00 0.43 H new ATOM 0 HD11 LEU A 38 -11.719 0.917 7.372 1.00 0.56 H new ATOM 0 HD12 LEU A 38 -10.033 1.483 7.405 1.00 0.56 H new ATOM 0 HD13 LEU A 38 -11.234 2.325 6.398 1.00 0.56 H new ATOM 0 HD21 LEU A 38 -12.647 -0.168 5.411 1.00 0.45 H new ATOM 0 HD22 LEU A 38 -12.165 1.170 4.341 1.00 0.45 H new ATOM 0 HD23 LEU A 38 -11.650 -0.493 3.973 1.00 0.45 H new ATOM 559 N PHE A 39 -7.064 1.151 7.574 1.00 0.77 N ATOM 560 CA PHE A 39 -6.676 0.461 8.789 1.00 1.03 C ATOM 561 C PHE A 39 -7.948 0.144 9.585 1.00 1.40 C ATOM 562 O PHE A 39 -8.328 0.850 10.516 1.00 2.62 O ATOM 563 CB PHE A 39 -5.597 1.259 9.548 1.00 1.76 C ATOM 564 CG PHE A 39 -5.423 0.913 11.010 1.00 0.91 C ATOM 565 CD1 PHE A 39 -5.515 -0.426 11.419 1.00 2.12 C ATOM 566 CD2 PHE A 39 -5.304 1.931 11.974 1.00 1.84 C ATOM 567 CE1 PHE A 39 -5.645 -0.736 12.778 1.00 3.34 C ATOM 568 CE2 PHE A 39 -5.344 1.609 13.342 1.00 2.61 C ATOM 569 CZ PHE A 39 -5.540 0.276 13.746 1.00 3.31 C ATOM 0 H PHE A 39 -6.795 2.135 7.553 1.00 0.77 H new ATOM 0 HA PHE A 39 -6.194 -0.494 8.579 1.00 1.03 H new ATOM 0 HB2 PHE A 39 -4.642 1.111 9.044 1.00 1.76 H new ATOM 0 HB3 PHE A 39 -5.837 2.320 9.472 1.00 1.76 H new ATOM 0 HD1 PHE A 39 -5.486 -1.218 10.685 1.00 2.12 H new ATOM 0 HD2 PHE A 39 -5.182 2.958 11.664 1.00 1.84 H new ATOM 0 HE1 PHE A 39 -5.827 -1.756 13.083 1.00 3.34 H new ATOM 0 HE2 PHE A 39 -5.224 2.386 14.083 1.00 2.61 H new ATOM 0 HZ PHE A 39 -5.609 0.032 14.796 1.00 3.31 H new ATOM 579 N ALA A 40 -8.603 -0.934 9.157 1.00 1.30 N ATOM 580 CA ALA A 40 -9.668 -1.642 9.847 1.00 1.40 C ATOM 581 C ALA A 40 -9.859 -2.969 9.115 1.00 1.00 C ATOM 582 O ALA A 40 -9.718 -4.033 9.704 1.00 1.31 O ATOM 583 CB ALA A 40 -10.966 -0.825 9.873 1.00 1.77 C ATOM 0 H ALA A 40 -8.385 -1.361 8.257 1.00 1.30 H new ATOM 0 HA ALA A 40 -9.403 -1.810 10.891 1.00 1.40 H new ATOM 0 HB1 ALA A 40 -11.739 -1.387 10.397 1.00 1.77 H new ATOM 0 HB2 ALA A 40 -10.791 0.119 10.388 1.00 1.77 H new ATOM 0 HB3 ALA A 40 -11.291 -0.626 8.852 1.00 1.77 H new ATOM 589 N THR A 41 -10.117 -2.891 7.807 1.00 0.60 N ATOM 590 CA THR A 41 -10.377 -4.035 6.939 1.00 0.46 C ATOM 591 C THR A 41 -9.101 -4.460 6.196 1.00 0.39 C ATOM 592 O THR A 41 -9.164 -4.764 5.007 1.00 0.90 O ATOM 593 CB THR A 41 -11.494 -3.645 5.952 1.00 0.78 C ATOM 594 OG1 THR A 41 -12.374 -2.696 6.533 1.00 0.92 O ATOM 595 CG2 THR A 41 -12.293 -4.871 5.498 1.00 1.49 C ATOM 0 H THR A 41 -10.151 -2.001 7.310 1.00 0.60 H new ATOM 0 HA THR A 41 -10.696 -4.890 7.534 1.00 0.46 H new ATOM 0 HB THR A 41 -11.012 -3.201 5.081 1.00 0.78 H new ATOM 0 HG1 THR A 41 -13.074 -2.462 5.888 1.00 0.92 H new ATOM 0 HG21 THR A 41 -13.073 -4.560 4.803 1.00 1.49 H new ATOM 0 HG22 THR A 41 -11.626 -5.577 5.003 1.00 1.49 H new ATOM 0 HG23 THR A 41 -12.749 -5.349 6.365 1.00 1.49 H new ATOM 603 N GLU A 42 -7.954 -4.400 6.886 1.00 0.48 N ATOM 604 CA GLU A 42 -6.610 -4.820 6.472 1.00 0.60 C ATOM 605 C GLU A 42 -6.240 -4.594 4.993 1.00 0.51 C ATOM 606 O GLU A 42 -5.379 -5.290 4.442 1.00 0.67 O ATOM 607 CB GLU A 42 -6.353 -6.263 6.935 1.00 0.83 C ATOM 608 CG GLU A 42 -7.330 -7.312 6.374 1.00 2.89 C ATOM 609 CD GLU A 42 -8.601 -7.460 7.206 1.00 3.87 C ATOM 610 OE1 GLU A 42 -8.455 -7.773 8.405 1.00 3.91 O ATOM 611 OE2 GLU A 42 -9.695 -7.270 6.630 1.00 5.12 O ATOM 0 H GLU A 42 -7.943 -4.022 7.833 1.00 0.48 H new ATOM 0 HA GLU A 42 -5.926 -4.139 6.978 1.00 0.60 H new ATOM 0 HB2 GLU A 42 -5.339 -6.544 6.650 1.00 0.83 H new ATOM 0 HB3 GLU A 42 -6.398 -6.292 8.024 1.00 0.83 H new ATOM 0 HG2 GLU A 42 -7.601 -7.037 5.355 1.00 2.89 H new ATOM 0 HG3 GLU A 42 -6.825 -8.276 6.320 1.00 2.89 H new ATOM 618 N LYS A 43 -6.845 -3.599 4.343 1.00 0.43 N ATOM 619 CA LYS A 43 -6.818 -3.452 2.908 1.00 0.46 C ATOM 620 C LYS A 43 -6.046 -2.186 2.591 1.00 0.40 C ATOM 621 O LYS A 43 -6.231 -1.153 3.247 1.00 0.54 O ATOM 622 CB LYS A 43 -8.265 -3.454 2.385 1.00 0.63 C ATOM 623 CG LYS A 43 -8.460 -2.887 0.975 1.00 1.25 C ATOM 624 CD LYS A 43 -8.653 -1.361 0.952 1.00 0.76 C ATOM 625 CE LYS A 43 -9.938 -0.836 1.606 1.00 0.81 C ATOM 626 NZ LYS A 43 -11.167 -1.352 0.973 1.00 2.21 N ATOM 0 H LYS A 43 -7.373 -2.866 4.817 1.00 0.43 H new ATOM 0 HA LYS A 43 -6.311 -4.276 2.406 1.00 0.46 H new ATOM 0 HB2 LYS A 43 -8.636 -4.479 2.400 1.00 0.63 H new ATOM 0 HB3 LYS A 43 -8.883 -2.881 3.076 1.00 0.63 H new ATOM 0 HG2 LYS A 43 -7.595 -3.146 0.364 1.00 1.25 H new ATOM 0 HG3 LYS A 43 -9.327 -3.363 0.517 1.00 1.25 H new ATOM 0 HD2 LYS A 43 -7.800 -0.899 1.450 1.00 0.76 H new ATOM 0 HD3 LYS A 43 -8.635 -1.028 -0.086 1.00 0.76 H new ATOM 0 HE2 LYS A 43 -9.939 -1.109 2.661 1.00 0.81 H new ATOM 0 HE3 LYS A 43 -9.943 0.253 1.559 1.00 0.81 H new ATOM 0 HZ1 LYS A 43 -11.999 -0.948 1.449 1.00 2.21 H new ATOM 0 HZ2 LYS A 43 -11.179 -1.084 -0.032 1.00 2.21 H new ATOM 0 HZ3 LYS A 43 -11.191 -2.388 1.055 1.00 2.21 H new ATOM 640 N LEU A 44 -5.225 -2.269 1.546 1.00 0.28 N ATOM 641 CA LEU A 44 -4.617 -1.102 0.939 1.00 0.34 C ATOM 642 C LEU A 44 -5.315 -0.830 -0.377 1.00 0.35 C ATOM 643 O LEU A 44 -5.615 -1.793 -1.086 1.00 0.44 O ATOM 644 CB LEU A 44 -3.139 -1.368 0.638 1.00 0.50 C ATOM 645 CG LEU A 44 -2.257 -0.222 1.135 1.00 0.81 C ATOM 646 CD1 LEU A 44 -0.888 -0.372 0.488 1.00 0.52 C ATOM 647 CD2 LEU A 44 -2.732 1.182 0.731 1.00 1.82 C ATOM 0 H LEU A 44 -4.967 -3.150 1.101 1.00 0.28 H new ATOM 0 HA LEU A 44 -4.706 -0.257 1.622 1.00 0.34 H new ATOM 0 HB2 LEU A 44 -2.831 -2.300 1.113 1.00 0.50 H new ATOM 0 HB3 LEU A 44 -3.001 -1.497 -0.436 1.00 0.50 H new ATOM 0 HG LEU A 44 -2.272 -0.293 2.223 1.00 0.81 H new ATOM 0 HD11 LEU A 44 -0.236 0.434 0.825 1.00 0.52 H new ATOM 0 HD12 LEU A 44 -0.455 -1.331 0.771 1.00 0.52 H new ATOM 0 HD13 LEU A 44 -0.991 -0.326 -0.596 1.00 0.52 H new ATOM 0 HD21 LEU A 44 -2.044 1.928 1.129 1.00 1.82 H new ATOM 0 HD22 LEU A 44 -2.760 1.258 -0.356 1.00 1.82 H new ATOM 0 HD23 LEU A 44 -3.730 1.358 1.133 1.00 1.82 H new ATOM 659 N VAL A 45 -5.498 0.445 -0.734 1.00 0.30 N ATOM 660 CA VAL A 45 -5.672 0.853 -2.117 1.00 0.29 C ATOM 661 C VAL A 45 -4.685 1.943 -2.498 1.00 0.29 C ATOM 662 O VAL A 45 -4.446 2.864 -1.721 1.00 0.44 O ATOM 663 CB VAL A 45 -7.124 1.261 -2.391 1.00 0.40 C ATOM 664 CG1 VAL A 45 -7.289 2.285 -3.524 1.00 0.71 C ATOM 665 CG2 VAL A 45 -7.831 -0.008 -2.824 1.00 0.60 C ATOM 0 H VAL A 45 -5.528 1.217 -0.068 1.00 0.30 H new ATOM 0 HA VAL A 45 -5.455 -0.004 -2.754 1.00 0.29 H new ATOM 0 HB VAL A 45 -7.522 1.727 -1.490 1.00 0.40 H new ATOM 0 HG11 VAL A 45 -8.346 2.519 -3.652 1.00 0.71 H new ATOM 0 HG12 VAL A 45 -6.744 3.195 -3.274 1.00 0.71 H new ATOM 0 HG13 VAL A 45 -6.894 1.869 -4.451 1.00 0.71 H new ATOM 0 HG21 VAL A 45 -8.877 0.213 -3.036 1.00 0.60 H new ATOM 0 HG22 VAL A 45 -7.354 -0.402 -3.721 1.00 0.60 H new ATOM 0 HG23 VAL A 45 -7.771 -0.748 -2.026 1.00 0.60 H new ATOM 675 N VAL A 46 -4.142 1.840 -3.713 1.00 0.25 N ATOM 676 CA VAL A 46 -3.267 2.807 -4.328 1.00 0.21 C ATOM 677 C VAL A 46 -3.771 3.051 -5.748 1.00 0.19 C ATOM 678 O VAL A 46 -3.800 2.121 -6.553 1.00 0.31 O ATOM 679 CB VAL A 46 -1.839 2.250 -4.330 1.00 0.29 C ATOM 680 CG1 VAL A 46 -0.915 3.205 -5.084 1.00 0.40 C ATOM 681 CG2 VAL A 46 -1.343 2.045 -2.897 1.00 0.29 C ATOM 0 H VAL A 46 -4.317 1.035 -4.314 1.00 0.25 H new ATOM 0 HA VAL A 46 -3.261 3.751 -3.783 1.00 0.21 H new ATOM 0 HB VAL A 46 -1.836 1.283 -4.833 1.00 0.29 H new ATOM 0 HG11 VAL A 46 0.099 2.806 -5.084 1.00 0.40 H new ATOM 0 HG12 VAL A 46 -1.262 3.312 -6.112 1.00 0.40 H new ATOM 0 HG13 VAL A 46 -0.922 4.179 -4.596 1.00 0.40 H new ATOM 0 HG21 VAL A 46 -0.328 1.649 -2.917 1.00 0.29 H new ATOM 0 HG22 VAL A 46 -1.350 2.999 -2.369 1.00 0.29 H new ATOM 0 HG23 VAL A 46 -1.997 1.341 -2.383 1.00 0.29 H new ATOM 691 N ASP A 47 -4.139 4.293 -6.056 1.00 0.23 N ATOM 692 CA ASP A 47 -4.424 4.734 -7.409 1.00 0.31 C ATOM 693 C ASP A 47 -3.149 5.374 -7.931 1.00 0.35 C ATOM 694 O ASP A 47 -2.606 6.238 -7.240 1.00 0.50 O ATOM 695 CB ASP A 47 -5.557 5.757 -7.385 1.00 0.50 C ATOM 696 CG ASP A 47 -6.030 6.088 -8.788 1.00 2.31 C ATOM 697 OD1 ASP A 47 -5.250 6.762 -9.495 1.00 4.07 O ATOM 698 OD2 ASP A 47 -7.158 5.670 -9.122 1.00 2.61 O ATOM 0 H ASP A 47 -4.248 5.028 -5.358 1.00 0.23 H new ATOM 0 HA ASP A 47 -4.733 3.905 -8.045 1.00 0.31 H new ATOM 0 HB2 ASP A 47 -6.390 5.367 -6.801 1.00 0.50 H new ATOM 0 HB3 ASP A 47 -5.218 6.667 -6.889 1.00 0.50 H new ATOM 703 N ALA A 48 -2.639 4.922 -9.079 1.00 0.33 N ATOM 704 CA ALA A 48 -1.397 5.427 -9.653 1.00 0.31 C ATOM 705 C ALA A 48 -1.485 5.465 -11.176 1.00 0.37 C ATOM 706 O ALA A 48 -2.089 4.575 -11.778 1.00 0.54 O ATOM 707 CB ALA A 48 -0.232 4.537 -9.215 1.00 0.37 C ATOM 0 H ALA A 48 -3.081 4.191 -9.637 1.00 0.33 H new ATOM 0 HA ALA A 48 -1.231 6.443 -9.295 1.00 0.31 H new ATOM 0 HB1 ALA A 48 0.696 4.915 -9.644 1.00 0.37 H new ATOM 0 HB2 ALA A 48 -0.158 4.544 -8.128 1.00 0.37 H new ATOM 0 HB3 ALA A 48 -0.403 3.518 -9.561 1.00 0.37 H new ATOM 713 N ASP A 49 -0.837 6.453 -11.800 1.00 0.40 N ATOM 714 CA ASP A 49 -0.785 6.586 -13.255 1.00 0.54 C ATOM 715 C ASP A 49 0.382 5.746 -13.791 1.00 0.52 C ATOM 716 O ASP A 49 1.271 6.278 -14.449 1.00 0.74 O ATOM 717 CB ASP A 49 -0.643 8.073 -13.656 1.00 0.82 C ATOM 718 CG ASP A 49 -1.945 8.864 -13.704 1.00 1.06 C ATOM 719 OD1 ASP A 49 -2.970 8.335 -13.227 1.00 1.34 O ATOM 720 OD2 ASP A 49 -1.904 9.988 -14.249 1.00 2.38 O ATOM 0 H ASP A 49 -0.331 7.187 -11.304 1.00 0.40 H new ATOM 0 HA ASP A 49 -1.713 6.219 -13.694 1.00 0.54 H new ATOM 0 HB2 ASP A 49 0.032 8.559 -12.951 1.00 0.82 H new ATOM 0 HB3 ASP A 49 -0.170 8.124 -14.637 1.00 0.82 H new ATOM 725 N ASN A 50 0.375 4.432 -13.520 1.00 0.37 N ATOM 726 CA ASN A 50 1.344 3.436 -14.012 1.00 0.46 C ATOM 727 C ASN A 50 1.333 2.186 -13.133 1.00 0.58 C ATOM 728 O ASN A 50 0.911 2.256 -11.976 1.00 1.68 O ATOM 729 CB ASN A 50 2.800 3.950 -14.093 1.00 0.59 C ATOM 730 CG ASN A 50 3.366 4.562 -12.806 1.00 0.60 C ATOM 731 OD1 ASN A 50 4.391 5.236 -12.845 1.00 1.40 O ATOM 732 ND2 ASN A 50 2.761 4.333 -11.643 1.00 0.61 N ATOM 0 H ASN A 50 -0.339 4.013 -12.924 1.00 0.37 H new ATOM 0 HA ASN A 50 1.016 3.211 -15.027 1.00 0.46 H new ATOM 0 HB2 ASN A 50 3.442 3.121 -14.391 1.00 0.59 H new ATOM 0 HB3 ASN A 50 2.858 4.698 -14.884 1.00 0.59 H new ATOM 0 HD21 ASN A 50 3.149 4.718 -10.782 1.00 0.61 H new ATOM 0 HD22 ASN A 50 1.909 3.773 -11.613 1.00 0.61 H new ATOM 739 N ASP A 51 1.829 1.063 -13.650 1.00 0.86 N ATOM 740 CA ASP A 51 2.037 -0.182 -12.924 1.00 0.85 C ATOM 741 C ASP A 51 3.231 -0.057 -11.972 1.00 0.64 C ATOM 742 O ASP A 51 4.377 -0.093 -12.417 1.00 0.81 O ATOM 743 CB ASP A 51 2.298 -1.313 -13.931 1.00 1.13 C ATOM 744 CG ASP A 51 1.230 -1.388 -15.010 1.00 2.62 C ATOM 745 OD1 ASP A 51 1.227 -0.453 -15.843 1.00 4.13 O ATOM 746 OD2 ASP A 51 0.448 -2.362 -14.972 1.00 3.23 O ATOM 0 H ASP A 51 2.108 0.997 -14.629 1.00 0.86 H new ATOM 0 HA ASP A 51 1.146 -0.404 -12.336 1.00 0.85 H new ATOM 0 HB2 ASP A 51 3.272 -1.163 -14.397 1.00 1.13 H new ATOM 0 HB3 ASP A 51 2.342 -2.264 -13.401 1.00 1.13 H new ATOM 751 N ILE A 52 2.986 0.063 -10.662 1.00 0.43 N ATOM 752 CA ILE A 52 4.042 0.090 -9.645 1.00 0.32 C ATOM 753 C ILE A 52 3.701 -0.807 -8.444 1.00 0.25 C ATOM 754 O ILE A 52 4.222 -0.618 -7.348 1.00 0.27 O ATOM 755 CB ILE A 52 4.402 1.547 -9.262 1.00 0.43 C ATOM 756 CG1 ILE A 52 3.199 2.454 -8.961 1.00 0.47 C ATOM 757 CG2 ILE A 52 5.228 2.194 -10.384 1.00 0.60 C ATOM 758 CD1 ILE A 52 2.517 2.179 -7.622 1.00 0.60 C ATOM 0 H ILE A 52 2.045 0.144 -10.277 1.00 0.43 H new ATOM 0 HA ILE A 52 4.947 -0.342 -10.072 1.00 0.32 H new ATOM 0 HB ILE A 52 4.969 1.463 -8.335 1.00 0.43 H new ATOM 0 HG12 ILE A 52 3.530 3.492 -8.979 1.00 0.47 H new ATOM 0 HG13 ILE A 52 2.465 2.339 -9.759 1.00 0.47 H new ATOM 0 HG21 ILE A 52 5.477 3.218 -10.108 1.00 0.60 H new ATOM 0 HG22 ILE A 52 6.145 1.625 -10.535 1.00 0.60 H new ATOM 0 HG23 ILE A 52 4.648 2.198 -11.307 1.00 0.60 H new ATOM 0 HD11 ILE A 52 1.680 2.865 -7.493 1.00 0.60 H new ATOM 0 HD12 ILE A 52 2.152 1.152 -7.604 1.00 0.60 H new ATOM 0 HD13 ILE A 52 3.233 2.324 -6.813 1.00 0.60 H new ATOM 770 N ARG A 53 2.863 -1.830 -8.639 1.00 0.25 N ATOM 771 CA ARG A 53 2.391 -2.678 -7.538 1.00 0.29 C ATOM 772 C ARG A 53 3.546 -3.409 -6.874 1.00 0.25 C ATOM 773 O ARG A 53 3.619 -3.465 -5.651 1.00 0.28 O ATOM 774 CB ARG A 53 1.330 -3.698 -7.975 1.00 0.34 C ATOM 775 CG ARG A 53 0.336 -3.031 -8.915 1.00 0.47 C ATOM 776 CD ARG A 53 -0.979 -3.768 -9.168 1.00 0.52 C ATOM 777 NE ARG A 53 -0.890 -5.234 -9.066 1.00 0.67 N ATOM 778 CZ ARG A 53 -1.747 -5.968 -8.335 1.00 1.94 C ATOM 779 NH1 ARG A 53 -2.388 -5.410 -7.301 1.00 3.75 N ATOM 780 NH2 ARG A 53 -1.975 -7.253 -8.625 1.00 2.16 N ATOM 0 H ARG A 53 2.496 -2.092 -9.554 1.00 0.25 H new ATOM 0 HA ARG A 53 1.924 -2.000 -6.824 1.00 0.29 H new ATOM 0 HB2 ARG A 53 1.806 -4.542 -8.473 1.00 0.34 H new ATOM 0 HB3 ARG A 53 0.811 -4.094 -7.102 1.00 0.34 H new ATOM 0 HG2 ARG A 53 0.100 -2.045 -8.515 1.00 0.47 H new ATOM 0 HG3 ARG A 53 0.828 -2.877 -9.875 1.00 0.47 H new ATOM 0 HD2 ARG A 53 -1.723 -3.412 -8.455 1.00 0.52 H new ATOM 0 HD3 ARG A 53 -1.341 -3.508 -10.163 1.00 0.52 H new ATOM 0 HE ARG A 53 -0.146 -5.714 -9.572 1.00 0.67 H new ATOM 0 HH11 ARG A 53 -2.226 -4.430 -7.069 1.00 3.75 H new ATOM 0 HH12 ARG A 53 -3.039 -5.965 -6.745 1.00 3.75 H new ATOM 0 HH21 ARG A 53 -1.495 -7.691 -9.411 1.00 2.16 H new ATOM 0 HH22 ARG A 53 -2.628 -7.795 -8.060 1.00 2.16 H new ATOM 794 N ALA A 54 4.453 -3.943 -7.694 1.00 0.24 N ATOM 795 CA ALA A 54 5.673 -4.573 -7.223 1.00 0.24 C ATOM 796 C ALA A 54 6.520 -3.553 -6.467 1.00 0.23 C ATOM 797 O ALA A 54 7.218 -3.893 -5.517 1.00 0.24 O ATOM 798 CB ALA A 54 6.448 -5.135 -8.414 1.00 0.27 C ATOM 0 H ALA A 54 4.355 -3.947 -8.709 1.00 0.24 H new ATOM 0 HA ALA A 54 5.426 -5.391 -6.546 1.00 0.24 H new ATOM 0 HB1 ALA A 54 7.364 -5.608 -8.061 1.00 0.27 H new ATOM 0 HB2 ALA A 54 5.835 -5.873 -8.932 1.00 0.27 H new ATOM 0 HB3 ALA A 54 6.698 -4.326 -9.100 1.00 0.27 H new ATOM 804 N GLN A 55 6.460 -2.285 -6.885 1.00 0.25 N ATOM 805 CA GLN A 55 7.230 -1.249 -6.235 1.00 0.24 C ATOM 806 C GLN A 55 6.666 -1.019 -4.839 1.00 0.22 C ATOM 807 O GLN A 55 7.410 -0.956 -3.859 1.00 0.25 O ATOM 808 CB GLN A 55 7.231 0.021 -7.100 1.00 0.27 C ATOM 809 CG GLN A 55 8.592 0.724 -7.073 1.00 0.41 C ATOM 810 CD GLN A 55 9.506 0.197 -8.173 1.00 1.31 C ATOM 811 OE1 GLN A 55 10.298 -0.712 -7.955 1.00 2.79 O ATOM 812 NE2 GLN A 55 9.394 0.768 -9.370 1.00 1.08 N ATOM 0 H GLN A 55 5.887 -1.964 -7.666 1.00 0.25 H new ATOM 0 HA GLN A 55 8.272 -1.550 -6.124 1.00 0.24 H new ATOM 0 HB2 GLN A 55 6.976 -0.238 -8.127 1.00 0.27 H new ATOM 0 HB3 GLN A 55 6.461 0.705 -6.743 1.00 0.27 H new ATOM 0 HG2 GLN A 55 8.452 1.798 -7.196 1.00 0.41 H new ATOM 0 HG3 GLN A 55 9.063 0.573 -6.102 1.00 0.41 H new ATOM 0 HE21 GLN A 55 8.723 1.523 -9.514 1.00 1.08 H new ATOM 0 HE22 GLN A 55 9.979 0.451 -10.143 1.00 1.08 H new ATOM 821 N VAL A 56 5.338 -0.920 -4.749 1.00 0.21 N ATOM 822 CA VAL A 56 4.698 -0.678 -3.478 1.00 0.20 C ATOM 823 C VAL A 56 4.932 -1.888 -2.567 1.00 0.21 C ATOM 824 O VAL A 56 5.375 -1.732 -1.432 1.00 0.25 O ATOM 825 CB VAL A 56 3.206 -0.455 -3.712 1.00 0.23 C ATOM 826 CG1 VAL A 56 2.490 -0.463 -2.360 1.00 0.36 C ATOM 827 CG2 VAL A 56 2.966 0.863 -4.445 1.00 0.41 C ATOM 0 H VAL A 56 4.700 -1.004 -5.540 1.00 0.21 H new ATOM 0 HA VAL A 56 5.114 0.208 -2.998 1.00 0.20 H new ATOM 0 HB VAL A 56 2.810 -1.255 -4.338 1.00 0.23 H new ATOM 0 HG11 VAL A 56 1.422 -0.305 -2.513 1.00 0.36 H new ATOM 0 HG12 VAL A 56 2.648 -1.424 -1.870 1.00 0.36 H new ATOM 0 HG13 VAL A 56 2.889 0.334 -1.732 1.00 0.36 H new ATOM 0 HG21 VAL A 56 1.896 1.003 -4.602 1.00 0.41 H new ATOM 0 HG22 VAL A 56 3.356 1.688 -3.848 1.00 0.41 H new ATOM 0 HG23 VAL A 56 3.474 0.841 -5.409 1.00 0.41 H new ATOM 837 N GLU A 57 4.617 -3.094 -3.062 1.00 0.20 N ATOM 838 CA GLU A 57 4.947 -4.344 -2.387 1.00 0.24 C ATOM 839 C GLU A 57 6.368 -4.309 -1.860 1.00 0.26 C ATOM 840 O GLU A 57 6.512 -4.333 -0.652 1.00 0.32 O ATOM 841 CB GLU A 57 4.659 -5.523 -3.309 1.00 0.30 C ATOM 842 CG GLU A 57 5.111 -6.893 -2.797 1.00 0.34 C ATOM 843 CD GLU A 57 6.593 -7.166 -3.018 1.00 1.96 C ATOM 844 OE1 GLU A 57 7.085 -6.817 -4.111 1.00 3.14 O ATOM 845 OE2 GLU A 57 7.199 -7.706 -2.069 1.00 3.18 O ATOM 0 H GLU A 57 4.124 -3.223 -3.946 1.00 0.20 H new ATOM 0 HA GLU A 57 4.312 -4.474 -1.511 1.00 0.24 H new ATOM 0 HB2 GLU A 57 3.586 -5.561 -3.495 1.00 0.30 H new ATOM 0 HB3 GLU A 57 5.142 -5.337 -4.268 1.00 0.30 H new ATOM 0 HG2 GLU A 57 4.892 -6.964 -1.732 1.00 0.34 H new ATOM 0 HG3 GLU A 57 4.529 -7.668 -3.295 1.00 0.34 H new ATOM 852 N SER A 58 7.390 -4.179 -2.705 1.00 0.26 N ATOM 853 CA SER A 58 8.777 -4.160 -2.253 1.00 0.29 C ATOM 854 C SER A 58 8.954 -3.216 -1.051 1.00 0.31 C ATOM 855 O SER A 58 9.538 -3.584 -0.027 1.00 0.34 O ATOM 856 CB SER A 58 9.674 -3.792 -3.441 1.00 0.31 C ATOM 857 OG SER A 58 11.043 -3.846 -3.085 1.00 0.59 O ATOM 0 H SER A 58 7.280 -4.085 -3.715 1.00 0.26 H new ATOM 0 HA SER A 58 9.071 -5.147 -1.897 1.00 0.29 H new ATOM 0 HB2 SER A 58 9.484 -4.475 -4.269 1.00 0.31 H new ATOM 0 HB3 SER A 58 9.426 -2.790 -3.791 1.00 0.31 H new ATOM 0 HG SER A 58 11.592 -3.609 -3.861 1.00 0.59 H new ATOM 863 N ALA A 59 8.388 -2.008 -1.146 1.00 0.29 N ATOM 864 CA ALA A 59 8.431 -1.037 -0.063 1.00 0.28 C ATOM 865 C ALA A 59 7.775 -1.561 1.222 1.00 0.29 C ATOM 866 O ALA A 59 8.376 -1.484 2.289 1.00 0.34 O ATOM 867 CB ALA A 59 7.768 0.264 -0.507 1.00 0.26 C ATOM 0 H ALA A 59 7.891 -1.683 -1.975 1.00 0.29 H new ATOM 0 HA ALA A 59 9.480 -0.853 0.170 1.00 0.28 H new ATOM 0 HB1 ALA A 59 7.803 0.987 0.308 1.00 0.26 H new ATOM 0 HB2 ALA A 59 8.297 0.665 -1.371 1.00 0.26 H new ATOM 0 HB3 ALA A 59 6.729 0.070 -0.775 1.00 0.26 H new ATOM 873 N LEU A 60 6.539 -2.061 1.149 1.00 0.26 N ATOM 874 CA LEU A 60 5.797 -2.562 2.305 1.00 0.29 C ATOM 875 C LEU A 60 6.464 -3.800 2.902 1.00 0.30 C ATOM 876 O LEU A 60 6.580 -3.935 4.122 1.00 0.33 O ATOM 877 CB LEU A 60 4.360 -2.870 1.883 1.00 0.27 C ATOM 878 CG LEU A 60 3.522 -1.591 1.849 1.00 0.46 C ATOM 879 CD1 LEU A 60 2.502 -1.592 0.720 1.00 0.91 C ATOM 880 CD2 LEU A 60 2.790 -1.417 3.174 1.00 1.08 C ATOM 0 H LEU A 60 6.020 -2.129 0.273 1.00 0.26 H new ATOM 0 HA LEU A 60 5.792 -1.795 3.080 1.00 0.29 H new ATOM 0 HB2 LEU A 60 4.357 -3.339 0.899 1.00 0.27 H new ATOM 0 HB3 LEU A 60 3.916 -3.583 2.578 1.00 0.27 H new ATOM 0 HG LEU A 60 4.212 -0.764 1.678 1.00 0.46 H new ATOM 0 HD11 LEU A 60 1.934 -0.662 0.742 1.00 0.91 H new ATOM 0 HD12 LEU A 60 3.018 -1.680 -0.236 1.00 0.91 H new ATOM 0 HD13 LEU A 60 1.822 -2.435 0.845 1.00 0.91 H new ATOM 0 HD21 LEU A 60 2.195 -0.504 3.144 1.00 1.08 H new ATOM 0 HD22 LEU A 60 2.135 -2.272 3.343 1.00 1.08 H new ATOM 0 HD23 LEU A 60 3.516 -1.350 3.985 1.00 1.08 H new ATOM 892 N GLN A 61 6.922 -4.689 2.023 1.00 0.30 N ATOM 893 CA GLN A 61 7.740 -5.839 2.374 1.00 0.41 C ATOM 894 C GLN A 61 8.899 -5.366 3.248 1.00 0.39 C ATOM 895 O GLN A 61 9.071 -5.851 4.364 1.00 0.44 O ATOM 896 CB GLN A 61 8.251 -6.539 1.100 1.00 0.53 C ATOM 897 CG GLN A 61 8.123 -8.064 1.130 1.00 0.85 C ATOM 898 CD GLN A 61 6.683 -8.557 1.253 1.00 1.12 C ATOM 899 OE1 GLN A 61 6.251 -8.983 2.321 1.00 2.89 O ATOM 900 NE2 GLN A 61 5.939 -8.541 0.157 1.00 0.69 N ATOM 0 H GLN A 61 6.728 -4.625 1.024 1.00 0.30 H new ATOM 0 HA GLN A 61 7.147 -6.565 2.931 1.00 0.41 H new ATOM 0 HB2 GLN A 61 7.699 -6.156 0.242 1.00 0.53 H new ATOM 0 HB3 GLN A 61 9.298 -6.276 0.949 1.00 0.53 H new ATOM 0 HG2 GLN A 61 8.562 -8.474 0.221 1.00 0.85 H new ATOM 0 HG3 GLN A 61 8.703 -8.452 1.967 1.00 0.85 H new ATOM 0 HE21 GLN A 61 6.325 -8.181 -0.716 1.00 0.69 H new ATOM 0 HE22 GLN A 61 4.980 -8.888 0.186 1.00 0.69 H new ATOM 909 N LYS A 62 9.671 -4.387 2.759 1.00 0.36 N ATOM 910 CA LYS A 62 10.788 -3.854 3.519 1.00 0.38 C ATOM 911 C LYS A 62 10.303 -3.221 4.830 1.00 0.36 C ATOM 912 O LYS A 62 10.898 -3.438 5.883 1.00 0.44 O ATOM 913 CB LYS A 62 11.567 -2.834 2.678 1.00 0.43 C ATOM 914 CG LYS A 62 12.859 -2.404 3.389 1.00 1.41 C ATOM 915 CD LYS A 62 13.380 -1.088 2.805 1.00 1.80 C ATOM 916 CE LYS A 62 14.600 -0.611 3.609 1.00 3.06 C ATOM 917 NZ LYS A 62 15.057 0.728 3.187 1.00 3.94 N ATOM 0 H LYS A 62 9.537 -3.956 1.845 1.00 0.36 H new ATOM 0 HA LYS A 62 11.457 -4.677 3.770 1.00 0.38 H new ATOM 0 HB2 LYS A 62 11.809 -3.267 1.707 1.00 0.43 H new ATOM 0 HB3 LYS A 62 10.943 -1.960 2.490 1.00 0.43 H new ATOM 0 HG2 LYS A 62 12.672 -2.286 4.456 1.00 1.41 H new ATOM 0 HG3 LYS A 62 13.616 -3.181 3.282 1.00 1.41 H new ATOM 0 HD2 LYS A 62 13.653 -1.226 1.759 1.00 1.80 H new ATOM 0 HD3 LYS A 62 12.596 -0.331 2.832 1.00 1.80 H new ATOM 0 HE2 LYS A 62 14.348 -0.590 4.669 1.00 3.06 H new ATOM 0 HE3 LYS A 62 15.414 -1.326 3.489 1.00 3.06 H new ATOM 0 HZ1 LYS A 62 15.881 1.009 3.756 1.00 3.94 H new ATOM 0 HZ2 LYS A 62 15.322 0.703 2.182 1.00 3.94 H new ATOM 0 HZ3 LYS A 62 14.290 1.416 3.326 1.00 3.94 H new ATOM 931 N ALA A 63 9.261 -2.387 4.754 1.00 0.34 N ATOM 932 CA ALA A 63 8.716 -1.657 5.891 1.00 0.37 C ATOM 933 C ALA A 63 8.298 -2.615 7.007 1.00 0.36 C ATOM 934 O ALA A 63 8.421 -2.276 8.183 1.00 0.44 O ATOM 935 CB ALA A 63 7.542 -0.784 5.443 1.00 0.40 C ATOM 0 H ALA A 63 8.767 -2.200 3.881 1.00 0.34 H new ATOM 0 HA ALA A 63 9.494 -1.007 6.292 1.00 0.37 H new ATOM 0 HB1 ALA A 63 7.143 -0.243 6.301 1.00 0.40 H new ATOM 0 HB2 ALA A 63 7.884 -0.072 4.692 1.00 0.40 H new ATOM 0 HB3 ALA A 63 6.762 -1.414 5.016 1.00 0.40 H new ATOM 941 N GLY A 64 7.827 -3.806 6.627 1.00 0.36 N ATOM 942 CA GLY A 64 7.664 -4.943 7.515 1.00 0.41 C ATOM 943 C GLY A 64 6.215 -5.411 7.566 1.00 0.40 C ATOM 944 O GLY A 64 5.701 -5.671 8.652 1.00 0.53 O ATOM 0 H GLY A 64 7.543 -4.003 5.667 1.00 0.36 H new ATOM 0 HA2 GLY A 64 8.300 -5.762 7.179 1.00 0.41 H new ATOM 0 HA3 GLY A 64 7.995 -4.673 8.518 1.00 0.41 H new ATOM 948 N TYR A 65 5.554 -5.528 6.408 1.00 0.33 N ATOM 949 CA TYR A 65 4.184 -6.023 6.337 1.00 0.37 C ATOM 950 C TYR A 65 4.059 -6.989 5.165 1.00 0.52 C ATOM 951 O TYR A 65 4.440 -6.643 4.048 1.00 1.16 O ATOM 952 CB TYR A 65 3.206 -4.856 6.168 1.00 0.50 C ATOM 953 CG TYR A 65 3.490 -3.647 7.035 1.00 0.59 C ATOM 954 CD1 TYR A 65 3.083 -3.616 8.381 1.00 1.93 C ATOM 955 CD2 TYR A 65 4.194 -2.558 6.491 1.00 1.92 C ATOM 956 CE1 TYR A 65 3.315 -2.466 9.156 1.00 1.95 C ATOM 957 CE2 TYR A 65 4.376 -1.390 7.246 1.00 1.98 C ATOM 958 CZ TYR A 65 3.938 -1.346 8.579 1.00 0.82 C ATOM 959 OH TYR A 65 4.105 -0.204 9.301 1.00 0.96 O ATOM 0 H TYR A 65 5.955 -5.283 5.503 1.00 0.33 H new ATOM 0 HA TYR A 65 3.940 -6.544 7.263 1.00 0.37 H new ATOM 0 HB2 TYR A 65 3.214 -4.544 5.124 1.00 0.50 H new ATOM 0 HB3 TYR A 65 2.199 -5.212 6.387 1.00 0.50 H new ATOM 0 HD1 TYR A 65 2.593 -4.474 8.818 1.00 1.93 H new ATOM 0 HD2 TYR A 65 4.595 -2.621 5.490 1.00 1.92 H new ATOM 0 HE1 TYR A 65 3.015 -2.443 10.193 1.00 1.95 H new ATOM 0 HE2 TYR A 65 4.852 -0.527 6.803 1.00 1.98 H new ATOM 0 HH TYR A 65 3.947 -0.391 10.250 1.00 0.96 H new ATOM 969 N SER A 66 3.508 -8.183 5.400 1.00 0.43 N ATOM 970 CA SER A 66 3.287 -9.150 4.346 1.00 0.41 C ATOM 971 C SER A 66 1.962 -8.813 3.676 1.00 0.35 C ATOM 972 O SER A 66 0.929 -8.834 4.349 1.00 0.46 O ATOM 973 CB SER A 66 3.234 -10.542 4.974 1.00 0.52 C ATOM 974 OG SER A 66 2.366 -10.502 6.092 1.00 1.62 O ATOM 0 H SER A 66 3.208 -8.496 6.323 1.00 0.43 H new ATOM 0 HA SER A 66 4.085 -9.127 3.604 1.00 0.41 H new ATOM 0 HB2 SER A 66 2.880 -11.272 4.246 1.00 0.52 H new ATOM 0 HB3 SER A 66 4.231 -10.857 5.281 1.00 0.52 H new ATOM 0 HG SER A 66 1.647 -9.858 5.925 1.00 1.62 H new ATOM 980 N LEU A 67 1.996 -8.527 2.373 1.00 0.43 N ATOM 981 CA LEU A 67 0.810 -8.360 1.547 1.00 0.41 C ATOM 982 C LEU A 67 0.830 -9.364 0.400 1.00 0.45 C ATOM 983 O LEU A 67 1.818 -10.075 0.220 1.00 0.50 O ATOM 984 CB LEU A 67 0.694 -6.907 1.061 1.00 0.40 C ATOM 985 CG LEU A 67 1.889 -6.343 0.278 1.00 0.45 C ATOM 986 CD1 LEU A 67 1.996 -6.967 -1.113 1.00 0.75 C ATOM 987 CD2 LEU A 67 1.675 -4.829 0.219 1.00 0.86 C ATOM 0 H LEU A 67 2.868 -8.404 1.858 1.00 0.43 H new ATOM 0 HA LEU A 67 -0.081 -8.564 2.140 1.00 0.41 H new ATOM 0 HB2 LEU A 67 -0.192 -6.829 0.432 1.00 0.40 H new ATOM 0 HB3 LEU A 67 0.525 -6.270 1.930 1.00 0.40 H new ATOM 0 HG LEU A 67 2.834 -6.581 0.767 1.00 0.45 H new ATOM 0 HD11 LEU A 67 2.853 -6.543 -1.637 1.00 0.75 H new ATOM 0 HD12 LEU A 67 2.125 -8.045 -1.019 1.00 0.75 H new ATOM 0 HD13 LEU A 67 1.087 -6.758 -1.676 1.00 0.75 H new ATOM 0 HD21 LEU A 67 2.496 -4.367 -0.328 1.00 0.86 H new ATOM 0 HD22 LEU A 67 0.734 -4.614 -0.288 1.00 0.86 H new ATOM 0 HD23 LEU A 67 1.642 -4.427 1.231 1.00 0.86 H new ATOM 999 N ARG A 68 -0.248 -9.398 -0.389 1.00 0.52 N ATOM 1000 CA ARG A 68 -0.250 -9.982 -1.715 1.00 0.70 C ATOM 1001 C ARG A 68 -0.880 -8.950 -2.634 1.00 0.80 C ATOM 1002 O ARG A 68 -1.638 -8.091 -2.174 1.00 1.25 O ATOM 1003 CB ARG A 68 -1.056 -11.281 -1.779 1.00 0.85 C ATOM 1004 CG ARG A 68 -0.665 -12.285 -0.693 1.00 0.75 C ATOM 1005 CD ARG A 68 -0.841 -13.707 -1.243 1.00 1.47 C ATOM 1006 NE ARG A 68 -0.791 -14.724 -0.181 1.00 1.54 N ATOM 1007 CZ ARG A 68 -1.100 -16.020 -0.366 1.00 2.45 C ATOM 1008 NH1 ARG A 68 -1.337 -16.475 -1.602 1.00 3.06 N ATOM 1009 NH2 ARG A 68 -1.188 -16.846 0.682 1.00 3.38 N ATOM 0 H ARG A 68 -1.151 -9.013 -0.112 1.00 0.52 H new ATOM 0 HA ARG A 68 0.769 -10.235 -2.006 1.00 0.70 H new ATOM 0 HB2 ARG A 68 -2.117 -11.048 -1.685 1.00 0.85 H new ATOM 0 HB3 ARG A 68 -0.916 -11.740 -2.757 1.00 0.85 H new ATOM 0 HG2 ARG A 68 0.369 -12.125 -0.386 1.00 0.75 H new ATOM 0 HG3 ARG A 68 -1.286 -12.144 0.192 1.00 0.75 H new ATOM 0 HD2 ARG A 68 -1.795 -13.777 -1.766 1.00 1.47 H new ATOM 0 HD3 ARG A 68 -0.060 -13.911 -1.976 1.00 1.47 H new ATOM 0 HE ARG A 68 -0.505 -14.428 0.752 1.00 1.54 H new ATOM 0 HH11 ARG A 68 -1.283 -15.840 -2.398 1.00 3.06 H new ATOM 0 HH12 ARG A 68 -1.572 -17.457 -1.748 1.00 3.06 H new ATOM 0 HH21 ARG A 68 -1.021 -16.494 1.624 1.00 3.38 H new ATOM 0 HH22 ARG A 68 -1.423 -17.828 0.539 1.00 3.38 H new ATOM 1023 N ASP A 69 -0.549 -9.041 -3.914 1.00 0.63 N ATOM 1024 CA ASP A 69 -0.944 -8.108 -4.936 1.00 0.68 C ATOM 1025 C ASP A 69 -2.326 -8.444 -5.474 1.00 0.71 C ATOM 1026 O ASP A 69 -2.488 -9.194 -6.435 1.00 1.25 O ATOM 1027 CB ASP A 69 0.088 -8.141 -6.054 1.00 0.82 C ATOM 1028 CG ASP A 69 0.306 -9.517 -6.675 1.00 1.53 C ATOM 1029 OD1 ASP A 69 0.553 -10.454 -5.879 1.00 2.68 O ATOM 1030 OD2 ASP A 69 0.227 -9.581 -7.922 1.00 2.34 O ATOM 0 H ASP A 69 0.026 -9.802 -4.274 1.00 0.63 H new ATOM 0 HA ASP A 69 -0.993 -7.106 -4.510 1.00 0.68 H new ATOM 0 HB2 ASP A 69 -0.221 -7.448 -6.837 1.00 0.82 H new ATOM 0 HB3 ASP A 69 1.039 -7.778 -5.664 1.00 0.82 H new ATOM 1035 N GLU A 70 -3.346 -7.838 -4.882 1.00 0.49 N ATOM 1036 CA GLU A 70 -4.706 -8.197 -5.216 1.00 0.48 C ATOM 1037 C GLU A 70 -5.044 -7.858 -6.665 1.00 0.54 C ATOM 1038 O GLU A 70 -4.329 -7.109 -7.324 1.00 0.67 O ATOM 1039 CB GLU A 70 -5.679 -7.522 -4.241 1.00 0.59 C ATOM 1040 CG GLU A 70 -6.408 -8.562 -3.407 1.00 0.48 C ATOM 1041 CD GLU A 70 -7.609 -9.108 -4.164 1.00 1.27 C ATOM 1042 OE1 GLU A 70 -7.359 -9.795 -5.178 1.00 2.25 O ATOM 1043 OE2 GLU A 70 -8.737 -8.793 -3.736 1.00 2.28 O ATOM 0 H GLU A 70 -3.254 -7.106 -4.178 1.00 0.49 H new ATOM 0 HA GLU A 70 -4.807 -9.278 -5.118 1.00 0.48 H new ATOM 0 HB2 GLU A 70 -5.134 -6.841 -3.588 1.00 0.59 H new ATOM 0 HB3 GLU A 70 -6.400 -6.922 -4.796 1.00 0.59 H new ATOM 0 HG2 GLU A 70 -5.728 -9.376 -3.156 1.00 0.48 H new ATOM 0 HG3 GLU A 70 -6.735 -8.118 -2.467 1.00 0.48 H new ATOM 1050 N GLN A 71 -6.164 -8.377 -7.142 1.00 0.62 N ATOM 1051 CA GLN A 71 -6.868 -7.865 -8.309 1.00 0.74 C ATOM 1052 C GLN A 71 -6.902 -6.335 -8.252 1.00 0.72 C ATOM 1053 O GLN A 71 -7.233 -5.768 -7.211 1.00 1.05 O ATOM 1054 CB GLN A 71 -8.285 -8.461 -8.319 1.00 0.93 C ATOM 1055 CG GLN A 71 -9.266 -7.823 -9.323 1.00 2.00 C ATOM 1056 CD GLN A 71 -10.369 -6.996 -8.650 1.00 3.35 C ATOM 1057 OE1 GLN A 71 -11.554 -7.188 -8.904 1.00 4.23 O ATOM 1058 NE2 GLN A 71 -10.019 -6.077 -7.752 1.00 4.10 N ATOM 0 H GLN A 71 -6.620 -9.185 -6.719 1.00 0.62 H new ATOM 0 HA GLN A 71 -6.359 -8.152 -9.229 1.00 0.74 H new ATOM 0 HB2 GLN A 71 -8.211 -9.526 -8.537 1.00 0.93 H new ATOM 0 HB3 GLN A 71 -8.706 -8.369 -7.318 1.00 0.93 H new ATOM 0 HG2 GLN A 71 -8.709 -7.184 -10.009 1.00 2.00 H new ATOM 0 HG3 GLN A 71 -9.725 -8.610 -9.922 1.00 2.00 H new ATOM 0 HE21 GLN A 71 -9.034 -5.919 -7.542 1.00 4.10 H new ATOM 0 HE22 GLN A 71 -10.736 -5.532 -7.274 1.00 4.10 H new ATOM 1067 N ALA A 72 -6.584 -5.665 -9.363 1.00 0.63 N ATOM 1068 CA ALA A 72 -6.652 -4.214 -9.446 1.00 0.71 C ATOM 1069 C ALA A 72 -8.088 -3.734 -9.202 1.00 0.76 C ATOM 1070 O ALA A 72 -8.405 -3.233 -8.120 1.00 1.69 O ATOM 1071 CB ALA A 72 -6.094 -3.749 -10.798 1.00 0.88 C ATOM 0 H ALA A 72 -6.274 -6.116 -10.224 1.00 0.63 H new ATOM 0 HA ALA A 72 -6.035 -3.767 -8.666 1.00 0.71 H new ATOM 0 HB1 ALA A 72 -6.146 -2.662 -10.858 1.00 0.88 H new ATOM 0 HB2 ALA A 72 -5.056 -4.069 -10.893 1.00 0.88 H new ATOM 0 HB3 ALA A 72 -6.683 -4.186 -11.604 1.00 0.88 H new ATOM 1077 N ALA A 73 -8.950 -3.923 -10.204 1.00 1.36 N ATOM 1078 CA ALA A 73 -10.354 -3.546 -10.187 1.00 1.72 C ATOM 1079 C ALA A 73 -11.022 -4.263 -11.361 1.00 2.40 C ATOM 1080 O ALA A 73 -10.568 -4.088 -12.492 1.00 3.49 O ATOM 1081 CB ALA A 73 -10.482 -2.026 -10.321 1.00 1.69 C ATOM 0 H ALA A 73 -8.672 -4.361 -11.082 1.00 1.36 H new ATOM 0 HA ALA A 73 -10.835 -3.831 -9.251 1.00 1.72 H new ATOM 0 HB1 ALA A 73 -11.536 -1.747 -10.308 1.00 1.69 H new ATOM 0 HB2 ALA A 73 -9.968 -1.543 -9.490 1.00 1.69 H new ATOM 0 HB3 ALA A 73 -10.033 -1.705 -11.261 1.00 1.69 H new ATOM 1087 N GLU A 74 -12.032 -5.087 -11.070 1.00 2.42 N ATOM 1088 CA GLU A 74 -12.665 -5.994 -12.017 1.00 2.97 C ATOM 1089 C GLU A 74 -11.639 -6.964 -12.632 1.00 3.79 C ATOM 1090 O GLU A 74 -10.559 -7.140 -12.021 1.00 4.46 O ATOM 1091 CB GLU A 74 -13.489 -5.223 -13.065 1.00 4.46 C ATOM 1092 CG GLU A 74 -14.545 -4.285 -12.449 1.00 5.20 C ATOM 1093 CD GLU A 74 -14.033 -2.866 -12.222 1.00 6.70 C ATOM 1094 OE1 GLU A 74 -13.924 -2.132 -13.228 1.00 8.12 O ATOM 1095 OE2 GLU A 74 -13.792 -2.522 -11.044 1.00 7.00 O ATOM 1096 OXT GLU A 74 -11.968 -7.545 -13.689 1.00 4.71 O ATOM 0 H GLU A 74 -12.441 -5.139 -10.137 1.00 2.42 H new ATOM 0 HA GLU A 74 -13.378 -6.616 -11.476 1.00 2.97 H new ATOM 0 HB2 GLU A 74 -12.813 -4.637 -13.687 1.00 4.46 H new ATOM 0 HB3 GLU A 74 -13.987 -5.937 -13.721 1.00 4.46 H new ATOM 0 HG2 GLU A 74 -15.415 -4.249 -13.104 1.00 5.20 H new ATOM 0 HG3 GLU A 74 -14.879 -4.700 -11.498 1.00 5.20 H new TER 1103 GLU A 74