USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 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 36 GLN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 ASN : amide:sc= 1.47 K(o=2.7,f=-0.54) USER MOD Set 2.2: A 34 GLN : amide:sc= 1.25 K(o=2.7,f=0.4) USER MOD Set 3.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 6 TYR OH : rot 176:sc= 1.06 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -139:sc= 1.25 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 173:sc= -0.0704 (180deg=-0.104) USER MOD Single : A 15 CYS SG : rot 62:sc= -0.0261 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.582 K(o=0.58,f=-0.16) USER MOD Single : A 28 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 41 THR OG1 : rot -10:sc= -0.129 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.641 F(o=-2.2!,f=-0.64) 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= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot -123:sc= 0.676 USER MOD Single : A 66 SER OG : rot 9:sc= 0.41 USER MOD Single : A 71 GLN : amide:sc= 0.626 K(o=0.63,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -6.313 8.440 -17.230 1.00 2.43 N ATOM 2 CA SER A 2 -6.737 8.254 -15.849 1.00 2.16 C ATOM 3 C SER A 2 -5.687 7.375 -15.171 1.00 1.55 C ATOM 4 O SER A 2 -4.934 6.696 -15.872 1.00 2.32 O ATOM 5 CB SER A 2 -8.096 7.534 -15.789 1.00 3.33 C ATOM 6 OG SER A 2 -9.153 8.371 -16.211 1.00 4.31 O ATOM 0 HA SER A 2 -6.838 9.221 -15.357 1.00 2.16 H new ATOM 0 HB2 SER A 2 -8.064 6.644 -16.418 1.00 3.33 H new ATOM 0 HB3 SER A 2 -8.284 7.197 -14.770 1.00 3.33 H new ATOM 0 HG SER A 2 -9.999 7.880 -16.161 1.00 4.31 H new ATOM 12 N GLY A 3 -5.678 7.363 -13.836 1.00 1.33 N ATOM 13 CA GLY A 3 -4.839 6.473 -13.050 1.00 1.04 C ATOM 14 C GLY A 3 -5.410 5.062 -12.997 1.00 0.87 C ATOM 15 O GLY A 3 -6.466 4.797 -13.578 1.00 0.99 O ATOM 0 H GLY A 3 -6.261 7.980 -13.270 1.00 1.33 H new ATOM 0 HA2 GLY A 3 -3.837 6.444 -13.479 1.00 1.04 H new ATOM 0 HA3 GLY A 3 -4.742 6.865 -12.037 1.00 1.04 H new ATOM 19 N THR A 4 -4.704 4.158 -12.310 1.00 0.75 N ATOM 20 CA THR A 4 -5.172 2.800 -12.070 1.00 0.61 C ATOM 21 C THR A 4 -5.098 2.507 -10.584 1.00 0.58 C ATOM 22 O THR A 4 -4.109 2.829 -9.925 1.00 0.76 O ATOM 23 CB THR A 4 -4.318 1.767 -12.808 1.00 0.64 C ATOM 24 OG1 THR A 4 -3.854 2.321 -14.003 1.00 1.08 O ATOM 25 CG2 THR A 4 -5.068 0.461 -13.082 1.00 0.70 C ATOM 0 H THR A 4 -3.788 4.354 -11.905 1.00 0.75 H new ATOM 0 HA THR A 4 -6.196 2.729 -12.437 1.00 0.61 H new ATOM 0 HB THR A 4 -3.479 1.511 -12.161 1.00 0.64 H new ATOM 0 HG1 THR A 4 -3.305 1.662 -14.478 1.00 1.08 H new ATOM 0 HG21 THR A 4 -4.411 -0.232 -13.607 1.00 0.70 H new ATOM 0 HG22 THR A 4 -5.383 0.017 -12.138 1.00 0.70 H new ATOM 0 HG23 THR A 4 -5.944 0.667 -13.696 1.00 0.70 H new ATOM 33 N ARG A 5 -6.123 1.805 -10.116 1.00 0.46 N ATOM 34 CA ARG A 5 -6.323 1.453 -8.729 1.00 0.40 C ATOM 35 C ARG A 5 -5.813 0.038 -8.488 1.00 0.34 C ATOM 36 O ARG A 5 -6.215 -0.895 -9.182 1.00 0.51 O ATOM 37 CB ARG A 5 -7.816 1.520 -8.416 1.00 0.51 C ATOM 38 CG ARG A 5 -8.041 1.326 -6.914 1.00 0.60 C ATOM 39 CD ARG A 5 -9.467 0.880 -6.607 1.00 0.84 C ATOM 40 NE ARG A 5 -10.376 2.026 -6.431 1.00 1.53 N ATOM 41 CZ ARG A 5 -11.030 2.683 -7.403 1.00 2.57 C ATOM 42 NH1 ARG A 5 -10.909 2.298 -8.677 1.00 3.36 N ATOM 43 NH2 ARG A 5 -11.817 3.718 -7.091 1.00 3.61 N ATOM 0 H ARG A 5 -6.864 1.455 -10.723 1.00 0.46 H new ATOM 0 HA ARG A 5 -5.779 2.145 -8.086 1.00 0.40 H new ATOM 0 HB2 ARG A 5 -8.220 2.482 -8.732 1.00 0.51 H new ATOM 0 HB3 ARG A 5 -8.349 0.751 -8.975 1.00 0.51 H new ATOM 0 HG2 ARG A 5 -7.339 0.584 -6.534 1.00 0.60 H new ATOM 0 HG3 ARG A 5 -7.832 2.260 -6.392 1.00 0.60 H new ATOM 0 HD2 ARG A 5 -9.832 0.248 -7.417 1.00 0.84 H new ATOM 0 HD3 ARG A 5 -9.470 0.272 -5.702 1.00 0.84 H new ATOM 0 HE ARG A 5 -10.523 2.353 -5.476 1.00 1.53 H new ATOM 0 HH11 ARG A 5 -10.318 1.502 -8.915 1.00 3.36 H new ATOM 0 HH12 ARG A 5 -11.408 2.800 -9.411 1.00 3.36 H new ATOM 0 HH21 ARG A 5 -11.919 4.006 -6.118 1.00 3.61 H new ATOM 0 HH22 ARG A 5 -12.315 4.220 -7.826 1.00 3.61 H new ATOM 57 N TYR A 6 -4.959 -0.106 -7.479 1.00 0.32 N ATOM 58 CA TYR A 6 -4.414 -1.378 -7.030 1.00 0.29 C ATOM 59 C TYR A 6 -4.807 -1.735 -5.602 1.00 0.29 C ATOM 60 O TYR A 6 -4.529 -0.932 -4.719 1.00 0.50 O ATOM 61 CB TYR A 6 -2.912 -1.331 -7.219 1.00 0.32 C ATOM 62 CG TYR A 6 -2.502 -0.871 -8.592 1.00 0.36 C ATOM 63 CD1 TYR A 6 -3.037 -1.527 -9.712 1.00 1.90 C ATOM 64 CD2 TYR A 6 -1.652 0.232 -8.757 1.00 1.91 C ATOM 65 CE1 TYR A 6 -2.704 -1.094 -11.000 1.00 1.95 C ATOM 66 CE2 TYR A 6 -1.250 0.608 -10.048 1.00 1.92 C ATOM 67 CZ TYR A 6 -1.744 -0.082 -11.169 1.00 0.65 C ATOM 68 OH TYR A 6 -1.363 0.295 -12.421 1.00 0.87 O ATOM 0 H TYR A 6 -4.618 0.687 -6.935 1.00 0.32 H new ATOM 0 HA TYR A 6 -4.843 -2.179 -7.632 1.00 0.29 H new ATOM 0 HB2 TYR A 6 -2.479 -0.663 -6.475 1.00 0.32 H new ATOM 0 HB3 TYR A 6 -2.498 -2.323 -7.036 1.00 0.32 H new ATOM 0 HD1 TYR A 6 -3.705 -2.365 -9.579 1.00 1.90 H new ATOM 0 HD2 TYR A 6 -1.309 0.788 -7.897 1.00 1.91 H new ATOM 0 HE1 TYR A 6 -3.183 -1.536 -11.861 1.00 1.95 H new ATOM 0 HE2 TYR A 6 -0.560 1.428 -10.181 1.00 1.92 H new ATOM 0 HH TYR A 6 -0.746 1.054 -12.361 1.00 0.87 H new ATOM 78 N SER A 7 -5.400 -2.926 -5.388 1.00 0.27 N ATOM 79 CA SER A 7 -5.774 -3.479 -4.081 1.00 0.35 C ATOM 80 C SER A 7 -4.701 -4.454 -3.566 1.00 0.32 C ATOM 81 O SER A 7 -4.108 -5.191 -4.356 1.00 0.37 O ATOM 82 CB SER A 7 -7.163 -4.153 -4.166 1.00 0.44 C ATOM 83 OG SER A 7 -7.347 -5.182 -3.204 1.00 2.13 O ATOM 0 H SER A 7 -5.640 -3.552 -6.157 1.00 0.27 H new ATOM 0 HA SER A 7 -5.838 -2.663 -3.361 1.00 0.35 H new ATOM 0 HB2 SER A 7 -7.936 -3.396 -4.031 1.00 0.44 H new ATOM 0 HB3 SER A 7 -7.297 -4.570 -5.164 1.00 0.44 H new ATOM 0 HG SER A 7 -7.806 -5.941 -3.621 1.00 2.13 H new ATOM 89 N TRP A 8 -4.445 -4.459 -2.248 1.00 0.28 N ATOM 90 CA TRP A 8 -3.806 -5.575 -1.551 1.00 0.39 C ATOM 91 C TRP A 8 -4.437 -5.803 -0.171 1.00 0.34 C ATOM 92 O TRP A 8 -5.179 -4.954 0.329 1.00 0.38 O ATOM 93 CB TRP A 8 -2.298 -5.408 -1.363 1.00 0.56 C ATOM 94 CG TRP A 8 -1.423 -4.905 -2.461 1.00 0.61 C ATOM 95 CD1 TRP A 8 -0.322 -5.509 -2.936 1.00 0.70 C ATOM 96 CD2 TRP A 8 -1.368 -3.587 -3.046 1.00 0.55 C ATOM 97 NE1 TRP A 8 0.492 -4.503 -3.472 1.00 0.89 N ATOM 98 CE2 TRP A 8 -0.003 -3.235 -3.153 1.00 0.90 C ATOM 99 CE3 TRP A 8 -2.091 -2.974 -4.091 1.00 0.79 C ATOM 100 CZ2 TRP A 8 0.226 -1.933 -3.663 1.00 1.14 C ATOM 101 CZ3 TRP A 8 -1.306 -2.569 -5.227 1.00 0.73 C ATOM 102 CH2 TRP A 8 -0.192 -1.788 -4.965 1.00 0.54 C ATOM 0 H TRP A 8 -4.680 -3.679 -1.635 1.00 0.28 H new ATOM 0 HA TRP A 8 -3.970 -6.435 -2.200 1.00 0.39 H new ATOM 0 HB2 TRP A 8 -2.158 -4.738 -0.515 1.00 0.56 H new ATOM 0 HB3 TRP A 8 -1.907 -6.382 -1.068 1.00 0.56 H new ATOM 0 HD1 TRP A 8 -0.106 -6.567 -2.910 1.00 0.70 H new ATOM 0 HE1 TRP A 8 1.334 -4.673 -4.022 1.00 0.89 H new ATOM 0 HE3 TRP A 8 -3.159 -2.820 -4.042 1.00 0.79 H new ATOM 0 HZ2 TRP A 8 0.681 -1.139 -3.090 1.00 1.14 H new ATOM 0 HZ3 TRP A 8 -1.572 -2.859 -6.233 1.00 0.73 H new ATOM 0 HH2 TRP A 8 0.287 -1.147 -5.691 1.00 0.54 H new ATOM 113 N LYS A 9 -4.076 -6.941 0.444 1.00 0.38 N ATOM 114 CA LYS A 9 -4.556 -7.447 1.725 1.00 0.39 C ATOM 115 C LYS A 9 -3.355 -7.384 2.674 1.00 0.46 C ATOM 116 O LYS A 9 -2.436 -8.179 2.501 1.00 0.63 O ATOM 117 CB LYS A 9 -4.989 -8.923 1.549 1.00 0.45 C ATOM 118 CG LYS A 9 -5.911 -9.201 0.346 1.00 1.32 C ATOM 119 CD LYS A 9 -5.414 -10.418 -0.456 1.00 1.00 C ATOM 120 CE LYS A 9 -5.733 -11.765 0.212 1.00 1.35 C ATOM 121 NZ LYS A 9 -6.862 -12.451 -0.454 1.00 2.03 N ATOM 0 H LYS A 9 -3.393 -7.570 0.023 1.00 0.38 H new ATOM 0 HA LYS A 9 -5.402 -6.873 2.103 1.00 0.39 H new ATOM 0 HB2 LYS A 9 -4.094 -9.537 1.449 1.00 0.45 H new ATOM 0 HB3 LYS A 9 -5.498 -9.246 2.457 1.00 0.45 H new ATOM 0 HG2 LYS A 9 -6.928 -9.381 0.696 1.00 1.32 H new ATOM 0 HG3 LYS A 9 -5.947 -8.324 -0.300 1.00 1.32 H new ATOM 0 HD2 LYS A 9 -5.865 -10.398 -1.448 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.336 -10.336 -0.594 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -4.850 -12.404 0.183 1.00 1.35 H new ATOM 0 HE3 LYS A 9 -5.974 -11.602 1.262 1.00 1.35 H new ATOM 0 HZ1 LYS A 9 -7.049 -13.356 0.023 1.00 2.03 H new ATOM 0 HZ2 LYS A 9 -7.710 -11.852 -0.404 1.00 2.03 H new ATOM 0 HZ3 LYS A 9 -6.622 -12.628 -1.450 1.00 2.03 H new ATOM 135 N VAL A 10 -3.293 -6.443 3.618 1.00 0.46 N ATOM 136 CA VAL A 10 -2.087 -6.217 4.401 1.00 0.54 C ATOM 137 C VAL A 10 -2.254 -6.878 5.764 1.00 0.65 C ATOM 138 O VAL A 10 -3.255 -6.651 6.427 1.00 1.28 O ATOM 139 CB VAL A 10 -1.841 -4.711 4.534 1.00 0.60 C ATOM 140 CG1 VAL A 10 -0.420 -4.468 5.031 1.00 0.75 C ATOM 141 CG2 VAL A 10 -1.981 -4.014 3.182 1.00 0.50 C ATOM 0 H VAL A 10 -4.069 -5.826 3.856 1.00 0.46 H new ATOM 0 HA VAL A 10 -1.220 -6.656 3.907 1.00 0.54 H new ATOM 0 HB VAL A 10 -2.577 -4.313 5.233 1.00 0.60 H new ATOM 0 HG11 VAL A 10 -0.246 -3.396 5.125 1.00 0.75 H new ATOM 0 HG12 VAL A 10 -0.288 -4.944 6.003 1.00 0.75 H new ATOM 0 HG13 VAL A 10 0.291 -4.890 4.321 1.00 0.75 H new ATOM 0 HG21 VAL A 10 -1.802 -2.946 3.303 1.00 0.50 H new ATOM 0 HG22 VAL A 10 -1.254 -4.427 2.483 1.00 0.50 H new ATOM 0 HG23 VAL A 10 -2.987 -4.171 2.794 1.00 0.50 H new ATOM 151 N SER A 11 -1.291 -7.690 6.196 1.00 0.33 N ATOM 152 CA SER A 11 -1.379 -8.413 7.456 1.00 0.42 C ATOM 153 C SER A 11 -0.235 -7.941 8.345 1.00 0.51 C ATOM 154 O SER A 11 0.895 -8.406 8.208 1.00 0.66 O ATOM 155 CB SER A 11 -1.380 -9.930 7.201 1.00 0.57 C ATOM 156 OG SER A 11 -2.511 -10.527 7.810 1.00 0.94 O ATOM 0 H SER A 11 -0.429 -7.863 5.680 1.00 0.33 H new ATOM 0 HA SER A 11 -2.315 -8.205 7.974 1.00 0.42 H new ATOM 0 HB2 SER A 11 -1.389 -10.126 6.129 1.00 0.57 H new ATOM 0 HB3 SER A 11 -0.467 -10.374 7.598 1.00 0.57 H new ATOM 0 HG SER A 11 -2.503 -11.492 7.640 1.00 0.94 H new ATOM 162 N GLY A 12 -0.533 -6.983 9.224 1.00 0.55 N ATOM 163 CA GLY A 12 0.404 -6.482 10.217 1.00 0.67 C ATOM 164 C GLY A 12 0.032 -5.068 10.649 1.00 0.64 C ATOM 165 O GLY A 12 0.204 -4.704 11.810 1.00 0.76 O ATOM 0 H GLY A 12 -1.446 -6.530 9.262 1.00 0.55 H new ATOM 0 HA2 GLY A 12 0.409 -7.142 11.084 1.00 0.67 H new ATOM 0 HA3 GLY A 12 1.414 -6.488 9.806 1.00 0.67 H new ATOM 169 N MET A 13 -0.473 -4.261 9.713 1.00 0.59 N ATOM 170 CA MET A 13 -0.899 -2.910 10.047 1.00 0.60 C ATOM 171 C MET A 13 -2.190 -2.941 10.880 1.00 0.81 C ATOM 172 O MET A 13 -3.155 -3.565 10.455 1.00 1.63 O ATOM 173 CB MET A 13 -1.011 -2.055 8.772 1.00 0.63 C ATOM 174 CG MET A 13 -2.248 -2.318 7.900 1.00 1.26 C ATOM 175 SD MET A 13 -2.382 -1.180 6.501 1.00 1.50 S ATOM 176 CE MET A 13 -4.042 -1.550 5.907 1.00 1.91 C ATOM 0 H MET A 13 -0.594 -4.519 8.734 1.00 0.59 H new ATOM 0 HA MET A 13 -0.146 -2.433 10.674 1.00 0.60 H new ATOM 0 HB2 MET A 13 -1.009 -1.004 9.060 1.00 0.63 H new ATOM 0 HB3 MET A 13 -0.120 -2.221 8.166 1.00 0.63 H new ATOM 0 HG2 MET A 13 -2.211 -3.341 7.526 1.00 1.26 H new ATOM 0 HG3 MET A 13 -3.144 -2.235 8.516 1.00 1.26 H new ATOM 0 HE1 MET A 13 -4.315 -0.841 5.125 1.00 1.91 H new ATOM 0 HE2 MET A 13 -4.067 -2.562 5.504 1.00 1.91 H new ATOM 0 HE3 MET A 13 -4.750 -1.471 6.732 1.00 1.91 H new ATOM 186 N ASP A 14 -2.194 -2.252 12.029 1.00 0.64 N ATOM 187 CA ASP A 14 -3.375 -1.833 12.786 1.00 0.78 C ATOM 188 C ASP A 14 -2.920 -0.978 13.972 1.00 0.77 C ATOM 189 O ASP A 14 -2.703 -1.491 15.068 1.00 1.09 O ATOM 190 CB ASP A 14 -4.250 -3.002 13.268 1.00 1.14 C ATOM 191 CG ASP A 14 -5.451 -2.482 14.055 1.00 1.90 C ATOM 192 OD1 ASP A 14 -5.867 -1.335 13.773 1.00 3.03 O ATOM 193 OD2 ASP A 14 -5.930 -3.233 14.930 1.00 2.66 O ATOM 0 H ASP A 14 -1.326 -1.958 12.477 1.00 0.64 H new ATOM 0 HA ASP A 14 -4.007 -1.256 12.111 1.00 0.78 H new ATOM 0 HB2 ASP A 14 -4.593 -3.584 12.413 1.00 1.14 H new ATOM 0 HB3 ASP A 14 -3.660 -3.672 13.894 1.00 1.14 H new ATOM 198 N CYS A 15 -2.694 0.321 13.747 1.00 0.65 N ATOM 199 CA CYS A 15 -2.410 1.277 14.817 1.00 0.71 C ATOM 200 C CYS A 15 -2.499 2.715 14.298 1.00 0.87 C ATOM 201 O CYS A 15 -3.558 3.330 14.359 1.00 2.22 O ATOM 202 CB CYS A 15 -1.064 0.968 15.513 1.00 0.75 C ATOM 203 SG CYS A 15 -1.361 0.360 17.192 1.00 1.44 S ATOM 0 H CYS A 15 -2.703 0.737 12.816 1.00 0.65 H new ATOM 0 HA CYS A 15 -3.176 1.171 15.586 1.00 0.71 H new ATOM 0 HB2 CYS A 15 -0.511 0.223 14.940 1.00 0.75 H new ATOM 0 HB3 CYS A 15 -0.448 1.866 15.546 1.00 0.75 H new ATOM 0 HG CYS A 15 -2.041 -0.747 17.139 1.00 1.44 H new ATOM 209 N ALA A 16 -1.395 3.263 13.774 1.00 0.83 N ATOM 210 CA ALA A 16 -1.312 4.641 13.289 1.00 0.92 C ATOM 211 C ALA A 16 0.020 4.843 12.572 1.00 1.17 C ATOM 212 O ALA A 16 0.068 5.158 11.383 1.00 2.20 O ATOM 213 CB ALA A 16 -1.450 5.633 14.451 1.00 1.30 C ATOM 0 H ALA A 16 -0.520 2.749 13.675 1.00 0.83 H new ATOM 0 HA ALA A 16 -2.130 4.824 12.592 1.00 0.92 H new ATOM 0 HB1 ALA A 16 -1.386 6.652 14.069 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -2.413 5.489 14.940 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -0.649 5.464 15.171 1.00 1.30 H new ATOM 219 N ALA A 17 1.117 4.593 13.292 1.00 0.88 N ATOM 220 CA ALA A 17 2.462 4.606 12.730 1.00 0.97 C ATOM 221 C ALA A 17 2.547 3.708 11.494 1.00 0.76 C ATOM 222 O ALA A 17 3.276 4.015 10.551 1.00 0.89 O ATOM 223 CB ALA A 17 3.463 4.144 13.793 1.00 1.26 C ATOM 0 H ALA A 17 1.092 4.375 14.288 1.00 0.88 H new ATOM 0 HA ALA A 17 2.704 5.623 12.422 1.00 0.97 H new ATOM 0 HB1 ALA A 17 4.469 4.153 13.374 1.00 1.26 H new ATOM 0 HB2 ALA A 17 3.421 4.817 14.650 1.00 1.26 H new ATOM 0 HB3 ALA A 17 3.213 3.133 14.113 1.00 1.26 H new ATOM 229 N CYS A 18 1.787 2.607 11.492 1.00 0.56 N ATOM 230 CA CYS A 18 1.804 1.640 10.419 1.00 0.58 C ATOM 231 C CYS A 18 1.096 2.241 9.213 1.00 0.42 C ATOM 232 O CYS A 18 1.562 2.098 8.082 1.00 0.44 O ATOM 233 CB CYS A 18 1.147 0.325 10.857 1.00 0.77 C ATOM 234 SG CYS A 18 2.243 -0.546 12.005 1.00 1.72 S ATOM 0 H CYS A 18 1.142 2.372 12.247 1.00 0.56 H new ATOM 0 HA CYS A 18 2.834 1.405 10.150 1.00 0.58 H new ATOM 0 HB2 CYS A 18 0.189 0.527 11.335 1.00 0.77 H new ATOM 0 HB3 CYS A 18 0.944 -0.300 9.987 1.00 0.77 H new ATOM 0 HG CYS A 18 1.685 -1.659 12.378 1.00 1.72 H new ATOM 240 N ALA A 19 -0.008 2.957 9.460 1.00 0.40 N ATOM 241 CA ALA A 19 -0.711 3.641 8.393 1.00 0.49 C ATOM 242 C ALA A 19 0.212 4.664 7.747 1.00 0.47 C ATOM 243 O ALA A 19 0.295 4.728 6.522 1.00 0.58 O ATOM 244 CB ALA A 19 -2.019 4.287 8.857 1.00 0.63 C ATOM 0 H ALA A 19 -0.423 3.071 10.385 1.00 0.40 H new ATOM 0 HA ALA A 19 -0.996 2.893 7.654 1.00 0.49 H new ATOM 0 HB1 ALA A 19 -2.499 4.783 8.014 1.00 0.63 H new ATOM 0 HB2 ALA A 19 -2.684 3.519 9.252 1.00 0.63 H new ATOM 0 HB3 ALA A 19 -1.807 5.019 9.636 1.00 0.63 H new ATOM 250 N ARG A 20 0.955 5.433 8.552 1.00 0.45 N ATOM 251 CA ARG A 20 1.945 6.292 7.961 1.00 0.59 C ATOM 252 C ARG A 20 2.964 5.479 7.167 1.00 0.49 C ATOM 253 O ARG A 20 3.180 5.775 5.999 1.00 0.49 O ATOM 254 CB ARG A 20 2.577 7.282 8.921 1.00 0.76 C ATOM 255 CG ARG A 20 1.514 8.247 9.466 1.00 0.87 C ATOM 256 CD ARG A 20 2.140 9.326 10.359 1.00 1.42 C ATOM 257 NE ARG A 20 1.399 10.600 10.290 1.00 2.13 N ATOM 258 CZ ARG A 20 0.143 10.812 10.714 1.00 2.04 C ATOM 259 NH1 ARG A 20 -0.538 9.827 11.309 1.00 2.48 N ATOM 260 NH2 ARG A 20 -0.426 12.011 10.544 1.00 3.04 N ATOM 0 H ARG A 20 0.884 5.469 9.569 1.00 0.45 H new ATOM 0 HA ARG A 20 1.414 6.933 7.258 1.00 0.59 H new ATOM 0 HB2 ARG A 20 3.051 6.748 9.745 1.00 0.76 H new ATOM 0 HB3 ARG A 20 3.361 7.843 8.412 1.00 0.76 H new ATOM 0 HG2 ARG A 20 0.990 8.720 8.635 1.00 0.87 H new ATOM 0 HG3 ARG A 20 0.771 7.688 10.035 1.00 0.87 H new ATOM 0 HD2 ARG A 20 2.162 8.975 11.391 1.00 1.42 H new ATOM 0 HD3 ARG A 20 3.174 9.491 10.057 1.00 1.42 H new ATOM 0 HE ARG A 20 1.888 11.396 9.881 1.00 2.13 H new ATOM 0 HH11 ARG A 20 -0.103 8.914 11.441 1.00 2.48 H new ATOM 0 HH12 ARG A 20 -1.492 9.989 11.631 1.00 2.48 H new ATOM 0 HH21 ARG A 20 0.094 12.763 10.093 1.00 3.04 H new ATOM 0 HH22 ARG A 20 -1.380 12.173 10.866 1.00 3.04 H new ATOM 274 N LYS A 21 3.573 4.448 7.750 1.00 0.45 N ATOM 275 CA LYS A 21 4.507 3.599 7.013 1.00 0.49 C ATOM 276 C LYS A 21 3.952 3.207 5.637 1.00 0.34 C ATOM 277 O LYS A 21 4.654 3.352 4.642 1.00 0.34 O ATOM 278 CB LYS A 21 4.885 2.363 7.839 1.00 0.68 C ATOM 279 CG LYS A 21 6.379 2.262 8.169 1.00 1.47 C ATOM 280 CD LYS A 21 6.882 3.430 9.029 1.00 1.27 C ATOM 281 CE LYS A 21 8.233 3.052 9.654 1.00 1.98 C ATOM 282 NZ LYS A 21 8.907 4.209 10.278 1.00 2.79 N ATOM 0 H LYS A 21 3.438 4.181 8.725 1.00 0.45 H new ATOM 0 HA LYS A 21 5.414 4.177 6.837 1.00 0.49 H new ATOM 0 HB2 LYS A 21 4.318 2.375 8.770 1.00 0.68 H new ATOM 0 HB3 LYS A 21 4.583 1.469 7.293 1.00 0.68 H new ATOM 0 HG2 LYS A 21 6.568 1.325 8.692 1.00 1.47 H new ATOM 0 HG3 LYS A 21 6.949 2.229 7.241 1.00 1.47 H new ATOM 0 HD2 LYS A 21 6.988 4.327 8.419 1.00 1.27 H new ATOM 0 HD3 LYS A 21 6.158 3.660 9.811 1.00 1.27 H new ATOM 0 HE2 LYS A 21 8.079 2.276 10.404 1.00 1.98 H new ATOM 0 HE3 LYS A 21 8.880 2.629 8.886 1.00 1.98 H new ATOM 0 HZ1 LYS A 21 9.814 3.904 10.686 1.00 2.79 H new ATOM 0 HZ2 LYS A 21 9.079 4.940 9.559 1.00 2.79 H new ATOM 0 HZ3 LYS A 21 8.303 4.599 11.030 1.00 2.79 H new ATOM 296 N VAL A 22 2.695 2.762 5.563 1.00 0.32 N ATOM 297 CA VAL A 22 2.047 2.460 4.300 1.00 0.40 C ATOM 298 C VAL A 22 2.025 3.671 3.378 1.00 0.38 C ATOM 299 O VAL A 22 2.509 3.603 2.249 1.00 0.46 O ATOM 300 CB VAL A 22 0.598 2.058 4.560 1.00 0.56 C ATOM 301 CG1 VAL A 22 -0.184 2.018 3.253 1.00 0.80 C ATOM 302 CG2 VAL A 22 0.495 0.675 5.196 1.00 0.70 C ATOM 0 H VAL A 22 2.105 2.604 6.380 1.00 0.32 H new ATOM 0 HA VAL A 22 2.610 1.655 3.827 1.00 0.40 H new ATOM 0 HB VAL A 22 0.187 2.803 5.241 1.00 0.56 H new ATOM 0 HG11 VAL A 22 -1.216 1.730 3.455 1.00 0.80 H new ATOM 0 HG12 VAL A 22 -0.167 3.004 2.789 1.00 0.80 H new ATOM 0 HG13 VAL A 22 0.270 1.292 2.579 1.00 0.80 H new ATOM 0 HG21 VAL A 22 -0.554 0.429 5.364 1.00 0.70 H new ATOM 0 HG22 VAL A 22 0.940 -0.065 4.531 1.00 0.70 H new ATOM 0 HG23 VAL A 22 1.025 0.672 6.148 1.00 0.70 H new ATOM 312 N GLU A 23 1.360 4.748 3.807 1.00 0.36 N ATOM 313 CA GLU A 23 1.077 5.830 2.879 1.00 0.44 C ATOM 314 C GLU A 23 2.433 6.351 2.394 1.00 0.38 C ATOM 315 O GLU A 23 2.656 6.564 1.214 1.00 0.43 O ATOM 316 CB GLU A 23 0.172 6.928 3.475 1.00 0.58 C ATOM 317 CG GLU A 23 0.912 7.681 4.580 1.00 0.64 C ATOM 318 CD GLU A 23 0.193 8.898 5.134 1.00 0.93 C ATOM 319 OE1 GLU A 23 0.393 9.970 4.517 1.00 2.07 O ATOM 320 OE2 GLU A 23 -0.444 8.765 6.199 1.00 1.76 O ATOM 0 H GLU A 23 1.020 4.887 4.759 1.00 0.36 H new ATOM 0 HA GLU A 23 0.490 5.464 2.037 1.00 0.44 H new ATOM 0 HB2 GLU A 23 -0.132 7.623 2.692 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -0.738 6.481 3.876 1.00 0.58 H new ATOM 0 HG2 GLU A 23 1.105 6.990 5.400 1.00 0.64 H new ATOM 0 HG3 GLU A 23 1.881 7.997 4.194 1.00 0.64 H new ATOM 327 N ASN A 24 3.390 6.473 3.309 1.00 0.33 N ATOM 328 CA ASN A 24 4.726 6.965 3.039 1.00 0.37 C ATOM 329 C ASN A 24 5.474 5.994 2.125 1.00 0.30 C ATOM 330 O ASN A 24 6.214 6.422 1.236 1.00 0.35 O ATOM 331 CB ASN A 24 5.447 7.209 4.362 1.00 0.47 C ATOM 332 CG ASN A 24 4.946 8.473 5.076 1.00 0.61 C ATOM 333 OD1 ASN A 24 5.579 9.522 5.017 1.00 0.83 O ATOM 334 ND2 ASN A 24 3.798 8.389 5.744 1.00 0.55 N ATOM 0 H ASN A 24 3.247 6.223 4.287 1.00 0.33 H new ATOM 0 HA ASN A 24 4.680 7.916 2.508 1.00 0.37 H new ATOM 0 HB2 ASN A 24 5.307 6.347 5.014 1.00 0.47 H new ATOM 0 HB3 ASN A 24 6.518 7.299 4.178 1.00 0.47 H new ATOM 0 HD21 ASN A 24 3.425 9.209 6.222 1.00 0.55 H new ATOM 0 HD22 ASN A 24 3.291 7.505 5.778 1.00 0.55 H new ATOM 341 N ALA A 25 5.256 4.687 2.307 1.00 0.27 N ATOM 342 CA ALA A 25 5.740 3.653 1.404 1.00 0.32 C ATOM 343 C ALA A 25 5.230 3.839 -0.025 1.00 0.29 C ATOM 344 O ALA A 25 5.866 3.321 -0.938 1.00 0.34 O ATOM 345 CB ALA A 25 5.430 2.256 1.946 1.00 0.44 C ATOM 0 H ALA A 25 4.730 4.319 3.099 1.00 0.27 H new ATOM 0 HA ALA A 25 6.824 3.754 1.354 1.00 0.32 H new ATOM 0 HB1 ALA A 25 5.803 1.505 1.250 1.00 0.44 H new ATOM 0 HB2 ALA A 25 5.913 2.126 2.914 1.00 0.44 H new ATOM 0 HB3 ALA A 25 4.352 2.141 2.060 1.00 0.44 H new ATOM 351 N VAL A 26 4.130 4.576 -0.248 1.00 0.31 N ATOM 352 CA VAL A 26 3.653 4.891 -1.586 1.00 0.38 C ATOM 353 C VAL A 26 3.999 6.325 -2.009 1.00 0.37 C ATOM 354 O VAL A 26 4.362 6.569 -3.156 1.00 0.41 O ATOM 355 CB VAL A 26 2.161 4.568 -1.717 1.00 0.48 C ATOM 356 CG1 VAL A 26 1.862 3.099 -1.389 1.00 1.45 C ATOM 357 CG2 VAL A 26 1.159 5.473 -1.007 1.00 2.10 C ATOM 0 H VAL A 26 3.554 4.965 0.498 1.00 0.31 H new ATOM 0 HA VAL A 26 4.184 4.251 -2.291 1.00 0.38 H new ATOM 0 HB VAL A 26 1.992 4.780 -2.773 1.00 0.48 H new ATOM 0 HG11 VAL A 26 0.793 2.913 -1.494 1.00 1.45 H new ATOM 0 HG12 VAL A 26 2.412 2.454 -2.074 1.00 1.45 H new ATOM 0 HG13 VAL A 26 2.168 2.885 -0.365 1.00 1.45 H new ATOM 0 HG21 VAL A 26 0.147 5.114 -1.195 1.00 2.10 H new ATOM 0 HG22 VAL A 26 1.354 5.461 0.065 1.00 2.10 H new ATOM 0 HG23 VAL A 26 1.258 6.491 -1.383 1.00 2.10 H new ATOM 367 N ARG A 27 3.925 7.282 -1.085 1.00 0.34 N ATOM 368 CA ARG A 27 4.193 8.698 -1.339 1.00 0.42 C ATOM 369 C ARG A 27 5.623 8.878 -1.857 1.00 0.36 C ATOM 370 O ARG A 27 5.905 9.821 -2.590 1.00 0.49 O ATOM 371 CB ARG A 27 3.975 9.541 -0.069 1.00 0.52 C ATOM 372 CG ARG A 27 2.497 9.651 0.352 1.00 0.68 C ATOM 373 CD ARG A 27 2.301 10.223 1.763 1.00 1.18 C ATOM 374 NE ARG A 27 2.842 11.582 1.887 1.00 1.15 N ATOM 375 CZ ARG A 27 2.800 12.322 3.008 1.00 1.78 C ATOM 376 NH1 ARG A 27 2.137 11.898 4.088 1.00 2.91 N ATOM 377 NH2 ARG A 27 3.433 13.502 3.038 1.00 2.13 N ATOM 0 H ARG A 27 3.671 7.090 -0.116 1.00 0.34 H new ATOM 0 HA ARG A 27 3.493 9.046 -2.098 1.00 0.42 H new ATOM 0 HB2 ARG A 27 4.546 9.103 0.750 1.00 0.52 H new ATOM 0 HB3 ARG A 27 4.372 10.542 -0.235 1.00 0.52 H new ATOM 0 HG2 ARG A 27 1.970 10.282 -0.363 1.00 0.68 H new ATOM 0 HG3 ARG A 27 2.039 8.663 0.303 1.00 0.68 H new ATOM 0 HD2 ARG A 27 1.238 10.233 2.006 1.00 1.18 H new ATOM 0 HD3 ARG A 27 2.788 9.572 2.489 1.00 1.18 H new ATOM 0 HE ARG A 27 3.281 11.994 1.064 1.00 1.15 H new ATOM 0 HH11 ARG A 27 1.653 11.000 4.069 1.00 2.91 H new ATOM 0 HH12 ARG A 27 2.115 12.472 4.931 1.00 2.91 H new ATOM 0 HH21 ARG A 27 3.940 13.830 2.216 1.00 2.13 H new ATOM 0 HH22 ARG A 27 3.408 14.073 3.883 1.00 2.13 H new ATOM 391 N GLN A 28 6.522 7.968 -1.472 1.00 0.28 N ATOM 392 CA GLN A 28 7.910 7.969 -1.904 1.00 0.31 C ATOM 393 C GLN A 28 8.088 7.587 -3.377 1.00 0.27 C ATOM 394 O GLN A 28 9.198 7.710 -3.887 1.00 0.36 O ATOM 395 CB GLN A 28 8.754 7.112 -0.959 1.00 0.37 C ATOM 396 CG GLN A 28 8.449 5.613 -1.058 1.00 0.32 C ATOM 397 CD GLN A 28 9.135 4.864 0.078 1.00 0.37 C ATOM 398 OE1 GLN A 28 9.994 4.015 -0.140 1.00 0.47 O ATOM 399 NE2 GLN A 28 8.773 5.195 1.313 1.00 0.49 N ATOM 0 H GLN A 28 6.295 7.200 -0.841 1.00 0.28 H new ATOM 0 HA GLN A 28 8.273 8.995 -1.845 1.00 0.31 H new ATOM 0 HB2 GLN A 28 9.809 7.275 -1.178 1.00 0.37 H new ATOM 0 HB3 GLN A 28 8.586 7.442 0.066 1.00 0.37 H new ATOM 0 HG2 GLN A 28 7.372 5.449 -1.014 1.00 0.32 H new ATOM 0 HG3 GLN A 28 8.791 5.227 -2.018 1.00 0.32 H new ATOM 0 HE21 GLN A 28 8.056 5.905 1.461 1.00 0.49 H new ATOM 0 HE22 GLN A 28 9.213 4.739 2.113 1.00 0.49 H new ATOM 408 N LEU A 29 7.055 7.032 -4.028 1.00 0.22 N ATOM 409 CA LEU A 29 7.104 6.654 -5.428 1.00 0.28 C ATOM 410 C LEU A 29 7.113 7.916 -6.307 1.00 0.34 C ATOM 411 O LEU A 29 8.024 8.734 -6.223 1.00 0.46 O ATOM 412 CB LEU A 29 5.937 5.704 -5.731 1.00 0.31 C ATOM 413 CG LEU A 29 5.865 4.385 -4.928 1.00 0.35 C ATOM 414 CD1 LEU A 29 5.893 3.219 -5.897 1.00 0.36 C ATOM 415 CD2 LEU A 29 6.929 4.081 -3.870 1.00 0.56 C ATOM 0 H LEU A 29 6.158 6.835 -3.583 1.00 0.22 H new ATOM 0 HA LEU A 29 8.023 6.115 -5.657 1.00 0.28 H new ATOM 0 HB2 LEU A 29 5.008 6.249 -5.567 1.00 0.31 H new ATOM 0 HB3 LEU A 29 5.975 5.451 -6.791 1.00 0.31 H new ATOM 0 HG LEU A 29 4.944 4.523 -4.362 1.00 0.35 H new ATOM 0 HD11 LEU A 29 5.843 2.283 -5.341 1.00 0.36 H new ATOM 0 HD12 LEU A 29 5.040 3.286 -6.572 1.00 0.36 H new ATOM 0 HD13 LEU A 29 6.817 3.249 -6.475 1.00 0.36 H new ATOM 0 HD21 LEU A 29 6.719 3.116 -3.409 1.00 0.56 H new ATOM 0 HD22 LEU A 29 7.912 4.052 -4.340 1.00 0.56 H new ATOM 0 HD23 LEU A 29 6.915 4.858 -3.106 1.00 0.56 H new ATOM 427 N ALA A 30 6.112 8.074 -7.173 1.00 0.32 N ATOM 428 CA ALA A 30 6.036 9.168 -8.132 1.00 0.33 C ATOM 429 C ALA A 30 4.687 9.115 -8.839 1.00 0.35 C ATOM 430 O ALA A 30 3.998 10.123 -8.957 1.00 0.34 O ATOM 431 CB ALA A 30 7.168 9.064 -9.163 1.00 0.39 C ATOM 0 H ALA A 30 5.320 7.433 -7.226 1.00 0.32 H new ATOM 0 HA ALA A 30 6.142 10.115 -7.602 1.00 0.33 H new ATOM 0 HB1 ALA A 30 7.093 9.890 -9.870 1.00 0.39 H new ATOM 0 HB2 ALA A 30 8.130 9.109 -8.653 1.00 0.39 H new ATOM 0 HB3 ALA A 30 7.086 8.119 -9.700 1.00 0.39 H new ATOM 437 N GLY A 31 4.312 7.922 -9.309 1.00 0.42 N ATOM 438 CA GLY A 31 3.078 7.753 -10.071 1.00 0.52 C ATOM 439 C GLY A 31 1.841 7.786 -9.173 1.00 0.55 C ATOM 440 O GLY A 31 0.737 8.099 -9.624 1.00 0.81 O ATOM 0 H GLY A 31 4.845 7.063 -9.174 1.00 0.42 H new ATOM 0 HA2 GLY A 31 3.003 8.542 -10.820 1.00 0.52 H new ATOM 0 HA3 GLY A 31 3.111 6.805 -10.608 1.00 0.52 H new ATOM 444 N VAL A 32 2.032 7.413 -7.903 1.00 0.36 N ATOM 445 CA VAL A 32 0.996 7.380 -6.888 1.00 0.37 C ATOM 446 C VAL A 32 0.352 8.752 -6.763 1.00 0.52 C ATOM 447 O VAL A 32 1.056 9.759 -6.759 1.00 0.53 O ATOM 448 CB VAL A 32 1.637 6.961 -5.556 1.00 0.31 C ATOM 449 CG1 VAL A 32 0.659 7.101 -4.380 1.00 0.49 C ATOM 450 CG2 VAL A 32 2.131 5.515 -5.670 1.00 0.24 C ATOM 0 H VAL A 32 2.943 7.118 -7.551 1.00 0.36 H new ATOM 0 HA VAL A 32 0.220 6.665 -7.161 1.00 0.37 H new ATOM 0 HB VAL A 32 2.476 7.626 -5.354 1.00 0.31 H new ATOM 0 HG11 VAL A 32 1.153 6.794 -3.458 1.00 0.49 H new ATOM 0 HG12 VAL A 32 0.341 8.140 -4.293 1.00 0.49 H new ATOM 0 HG13 VAL A 32 -0.211 6.468 -4.553 1.00 0.49 H new ATOM 0 HG21 VAL A 32 2.587 5.211 -4.728 1.00 0.24 H new ATOM 0 HG22 VAL A 32 1.289 4.860 -5.894 1.00 0.24 H new ATOM 0 HG23 VAL A 32 2.868 5.444 -6.470 1.00 0.24 H new ATOM 460 N ASN A 33 -0.977 8.792 -6.629 1.00 0.68 N ATOM 461 CA ASN A 33 -1.679 10.054 -6.458 1.00 0.81 C ATOM 462 C ASN A 33 -2.816 9.938 -5.452 1.00 0.68 C ATOM 463 O ASN A 33 -2.933 10.798 -4.582 1.00 1.08 O ATOM 464 CB ASN A 33 -2.130 10.604 -7.812 1.00 1.06 C ATOM 465 CG ASN A 33 -2.853 9.577 -8.672 1.00 1.10 C ATOM 466 OD1 ASN A 33 -4.032 9.314 -8.473 1.00 2.71 O ATOM 467 ND2 ASN A 33 -2.149 9.023 -9.643 1.00 1.21 N ATOM 0 H ASN A 33 -1.579 7.968 -6.636 1.00 0.68 H new ATOM 0 HA ASN A 33 -0.985 10.779 -6.033 1.00 0.81 H new ATOM 0 HB2 ASN A 33 -2.788 11.457 -7.648 1.00 1.06 H new ATOM 0 HB3 ASN A 33 -1.259 10.972 -8.354 1.00 1.06 H new ATOM 0 HD21 ASN A 33 -2.586 8.344 -10.266 1.00 1.21 H new ATOM 0 HD22 ASN A 33 -1.169 9.274 -9.769 1.00 1.21 H new ATOM 474 N GLN A 34 -3.649 8.899 -5.544 1.00 0.62 N ATOM 475 CA GLN A 34 -4.832 8.771 -4.700 1.00 0.98 C ATOM 476 C GLN A 34 -4.790 7.428 -3.973 1.00 0.98 C ATOM 477 O GLN A 34 -5.427 6.453 -4.359 1.00 1.84 O ATOM 478 CB GLN A 34 -6.090 9.025 -5.546 1.00 1.16 C ATOM 479 CG GLN A 34 -6.296 10.540 -5.715 1.00 1.36 C ATOM 480 CD GLN A 34 -7.023 10.913 -7.002 1.00 1.19 C ATOM 481 OE1 GLN A 34 -8.161 11.371 -6.965 1.00 1.59 O ATOM 482 NE2 GLN A 34 -6.371 10.758 -8.152 1.00 1.06 N ATOM 0 H GLN A 34 -3.521 8.130 -6.201 1.00 0.62 H new ATOM 0 HA GLN A 34 -4.856 9.525 -3.913 1.00 0.98 H new ATOM 0 HB2 GLN A 34 -5.987 8.550 -6.522 1.00 1.16 H new ATOM 0 HB3 GLN A 34 -6.961 8.580 -5.065 1.00 1.16 H new ATOM 0 HG2 GLN A 34 -6.862 10.919 -4.864 1.00 1.36 H new ATOM 0 HG3 GLN A 34 -5.325 11.035 -5.698 1.00 1.36 H new ATOM 0 HE21 GLN A 34 -5.426 10.375 -8.155 1.00 1.06 H new ATOM 0 HE22 GLN A 34 -6.817 11.022 -9.031 1.00 1.06 H new ATOM 491 N VAL A 35 -4.015 7.382 -2.889 1.00 0.47 N ATOM 492 CA VAL A 35 -3.958 6.234 -1.998 1.00 0.38 C ATOM 493 C VAL A 35 -5.090 6.314 -0.977 1.00 0.46 C ATOM 494 O VAL A 35 -5.383 7.391 -0.462 1.00 0.59 O ATOM 495 CB VAL A 35 -2.570 6.138 -1.340 1.00 0.44 C ATOM 496 CG1 VAL A 35 -2.179 7.384 -0.529 1.00 1.31 C ATOM 497 CG2 VAL A 35 -2.451 4.905 -0.434 1.00 1.41 C ATOM 0 H VAL A 35 -3.406 8.150 -2.607 1.00 0.47 H new ATOM 0 HA VAL A 35 -4.101 5.316 -2.568 1.00 0.38 H new ATOM 0 HB VAL A 35 -1.878 6.054 -2.178 1.00 0.44 H new ATOM 0 HG11 VAL A 35 -1.189 7.241 -0.096 1.00 1.31 H new ATOM 0 HG12 VAL A 35 -2.166 8.255 -1.184 1.00 1.31 H new ATOM 0 HG13 VAL A 35 -2.904 7.541 0.269 1.00 1.31 H new ATOM 0 HG21 VAL A 35 -1.456 4.875 0.011 1.00 1.41 H new ATOM 0 HG22 VAL A 35 -3.200 4.960 0.356 1.00 1.41 H new ATOM 0 HG23 VAL A 35 -2.612 4.003 -1.024 1.00 1.41 H new ATOM 507 N GLN A 36 -5.708 5.172 -0.667 1.00 0.44 N ATOM 508 CA GLN A 36 -6.596 5.018 0.462 1.00 0.49 C ATOM 509 C GLN A 36 -6.155 3.775 1.250 1.00 0.42 C ATOM 510 O GLN A 36 -6.368 2.631 0.846 1.00 0.48 O ATOM 511 CB GLN A 36 -8.047 4.997 -0.027 1.00 0.78 C ATOM 512 CG GLN A 36 -8.312 3.800 -0.940 1.00 1.37 C ATOM 513 CD GLN A 36 -9.422 4.019 -1.957 1.00 1.44 C ATOM 514 OE1 GLN A 36 -10.380 3.248 -1.999 1.00 2.17 O ATOM 515 NE2 GLN A 36 -9.274 5.035 -2.805 1.00 1.27 N ATOM 0 H GLN A 36 -5.595 4.317 -1.212 1.00 0.44 H new ATOM 0 HA GLN A 36 -6.542 5.859 1.153 1.00 0.49 H new ATOM 0 HB2 GLN A 36 -8.720 4.959 0.829 1.00 0.78 H new ATOM 0 HB3 GLN A 36 -8.265 5.921 -0.563 1.00 0.78 H new ATOM 0 HG2 GLN A 36 -7.393 3.553 -1.471 1.00 1.37 H new ATOM 0 HG3 GLN A 36 -8.566 2.937 -0.324 1.00 1.37 H new ATOM 0 HE21 GLN A 36 -8.462 5.648 -2.730 1.00 1.27 H new ATOM 0 HE22 GLN A 36 -9.973 5.201 -3.529 1.00 1.27 H new ATOM 524 N VAL A 37 -5.528 4.032 2.394 1.00 0.38 N ATOM 525 CA VAL A 37 -5.109 3.054 3.378 1.00 0.40 C ATOM 526 C VAL A 37 -6.246 2.968 4.389 1.00 0.39 C ATOM 527 O VAL A 37 -6.578 3.979 5.005 1.00 0.54 O ATOM 528 CB VAL A 37 -3.852 3.584 4.094 1.00 0.51 C ATOM 529 CG1 VAL A 37 -3.316 2.534 5.076 1.00 1.84 C ATOM 530 CG2 VAL A 37 -2.776 4.026 3.099 1.00 2.02 C ATOM 0 H VAL A 37 -5.288 4.984 2.670 1.00 0.38 H new ATOM 0 HA VAL A 37 -4.889 2.087 2.927 1.00 0.40 H new ATOM 0 HB VAL A 37 -4.135 4.470 4.663 1.00 0.51 H new ATOM 0 HG11 VAL A 37 -2.428 2.922 5.575 1.00 1.84 H new ATOM 0 HG12 VAL A 37 -4.080 2.308 5.820 1.00 1.84 H new ATOM 0 HG13 VAL A 37 -3.059 1.625 4.532 1.00 1.84 H new ATOM 0 HG21 VAL A 37 -1.906 4.393 3.643 1.00 2.02 H new ATOM 0 HG22 VAL A 37 -2.485 3.179 2.478 1.00 2.02 H new ATOM 0 HG23 VAL A 37 -3.170 4.821 2.466 1.00 2.02 H new ATOM 540 N LEU A 38 -6.869 1.797 4.538 1.00 0.37 N ATOM 541 CA LEU A 38 -7.981 1.623 5.446 1.00 0.39 C ATOM 542 C LEU A 38 -7.696 0.436 6.373 1.00 0.32 C ATOM 543 O LEU A 38 -7.694 -0.723 5.939 1.00 0.44 O ATOM 544 CB LEU A 38 -9.254 1.470 4.611 1.00 0.51 C ATOM 545 CG LEU A 38 -10.449 1.083 5.477 1.00 0.56 C ATOM 546 CD1 LEU A 38 -10.798 2.118 6.553 1.00 0.62 C ATOM 547 CD2 LEU A 38 -11.677 0.815 4.602 1.00 0.61 C ATOM 0 H LEU A 38 -6.610 0.951 4.030 1.00 0.37 H new ATOM 0 HA LEU A 38 -8.122 2.486 6.097 1.00 0.39 H new ATOM 0 HB2 LEU A 38 -9.466 2.406 4.094 1.00 0.51 H new ATOM 0 HB3 LEU A 38 -9.098 0.711 3.844 1.00 0.51 H new ATOM 0 HG LEU A 38 -10.153 0.176 6.003 1.00 0.56 H new ATOM 0 HD11 LEU A 38 -11.657 1.771 7.127 1.00 0.62 H new ATOM 0 HD12 LEU A 38 -9.946 2.251 7.220 1.00 0.62 H new ATOM 0 HD13 LEU A 38 -11.039 3.069 6.078 1.00 0.62 H new ATOM 0 HD21 LEU A 38 -12.521 0.540 5.234 1.00 0.61 H new ATOM 0 HD22 LEU A 38 -11.924 1.714 4.037 1.00 0.61 H new ATOM 0 HD23 LEU A 38 -11.461 0.000 3.911 1.00 0.61 H new ATOM 559 N PHE A 39 -7.483 0.755 7.655 1.00 0.54 N ATOM 560 CA PHE A 39 -7.355 -0.220 8.725 1.00 0.69 C ATOM 561 C PHE A 39 -8.634 -1.028 8.902 1.00 0.87 C ATOM 562 O PHE A 39 -9.700 -0.654 8.414 1.00 1.48 O ATOM 563 CB PHE A 39 -7.056 0.477 10.060 1.00 1.15 C ATOM 564 CG PHE A 39 -5.693 1.117 10.176 1.00 0.63 C ATOM 565 CD1 PHE A 39 -4.558 0.313 9.978 1.00 1.75 C ATOM 566 CD2 PHE A 39 -5.560 2.372 10.796 1.00 1.68 C ATOM 567 CE1 PHE A 39 -3.298 0.762 10.392 1.00 2.32 C ATOM 568 CE2 PHE A 39 -4.300 2.812 11.230 1.00 2.16 C ATOM 569 CZ PHE A 39 -3.165 2.009 11.025 1.00 2.15 C ATOM 0 H PHE A 39 -7.394 1.719 7.976 1.00 0.54 H new ATOM 0 HA PHE A 39 -6.536 -0.884 8.447 1.00 0.69 H new ATOM 0 HB2 PHE A 39 -7.812 1.244 10.225 1.00 1.15 H new ATOM 0 HB3 PHE A 39 -7.163 -0.254 10.862 1.00 1.15 H new ATOM 0 HD1 PHE A 39 -4.658 -0.653 9.506 1.00 1.75 H new ATOM 0 HD2 PHE A 39 -6.428 2.998 10.938 1.00 1.68 H new ATOM 0 HE1 PHE A 39 -2.426 0.148 10.224 1.00 2.32 H new ATOM 0 HE2 PHE A 39 -4.203 3.768 11.722 1.00 2.16 H new ATOM 0 HZ PHE A 39 -2.194 2.349 11.353 1.00 2.15 H new ATOM 579 N ALA A 40 -8.514 -2.133 9.635 1.00 0.78 N ATOM 580 CA ALA A 40 -9.571 -3.017 10.098 1.00 0.88 C ATOM 581 C ALA A 40 -10.075 -3.900 8.958 1.00 0.70 C ATOM 582 O ALA A 40 -10.233 -5.108 9.113 1.00 0.90 O ATOM 583 CB ALA A 40 -10.702 -2.252 10.798 1.00 1.14 C ATOM 0 H ALA A 40 -7.597 -2.456 9.944 1.00 0.78 H new ATOM 0 HA ALA A 40 -9.148 -3.676 10.856 1.00 0.88 H new ATOM 0 HB1 ALA A 40 -11.468 -2.955 11.126 1.00 1.14 H new ATOM 0 HB2 ALA A 40 -10.302 -1.722 11.662 1.00 1.14 H new ATOM 0 HB3 ALA A 40 -11.141 -1.535 10.104 1.00 1.14 H new ATOM 589 N THR A 41 -10.310 -3.302 7.786 1.00 0.51 N ATOM 590 CA THR A 41 -10.421 -4.051 6.545 1.00 0.40 C ATOM 591 C THR A 41 -9.043 -4.532 6.079 1.00 0.37 C ATOM 592 O THR A 41 -8.966 -5.409 5.221 1.00 0.67 O ATOM 593 CB THR A 41 -11.121 -3.218 5.468 1.00 0.50 C ATOM 594 OG1 THR A 41 -10.363 -2.084 5.105 1.00 2.18 O ATOM 595 CG2 THR A 41 -12.505 -2.764 5.946 1.00 2.07 C ATOM 0 H THR A 41 -10.427 -2.294 7.678 1.00 0.51 H new ATOM 0 HA THR A 41 -11.035 -4.933 6.727 1.00 0.40 H new ATOM 0 HB THR A 41 -11.227 -3.859 4.593 1.00 0.50 H new ATOM 0 HG1 THR A 41 -9.614 -1.978 5.728 1.00 2.18 H new ATOM 0 HG21 THR A 41 -12.984 -2.174 5.165 1.00 2.07 H new ATOM 0 HG22 THR A 41 -13.118 -3.638 6.168 1.00 2.07 H new ATOM 0 HG23 THR A 41 -12.398 -2.157 6.845 1.00 2.07 H new ATOM 603 N GLU A 42 -7.967 -3.933 6.610 1.00 0.39 N ATOM 604 CA GLU A 42 -6.594 -4.252 6.256 1.00 0.54 C ATOM 605 C GLU A 42 -6.387 -4.197 4.742 1.00 0.52 C ATOM 606 O GLU A 42 -5.725 -5.044 4.139 1.00 0.63 O ATOM 607 CB GLU A 42 -6.186 -5.566 6.941 1.00 0.76 C ATOM 608 CG GLU A 42 -5.405 -5.254 8.224 1.00 2.07 C ATOM 609 CD GLU A 42 -6.223 -4.414 9.196 1.00 2.95 C ATOM 610 OE1 GLU A 42 -7.010 -5.018 9.952 1.00 3.22 O ATOM 611 OE2 GLU A 42 -6.130 -3.169 9.111 1.00 4.15 O ATOM 0 H GLU A 42 -8.039 -3.197 7.313 1.00 0.39 H new ATOM 0 HA GLU A 42 -5.907 -3.495 6.636 1.00 0.54 H new ATOM 0 HB2 GLU A 42 -7.072 -6.156 7.176 1.00 0.76 H new ATOM 0 HB3 GLU A 42 -5.574 -6.165 6.267 1.00 0.76 H new ATOM 0 HG2 GLU A 42 -5.113 -6.186 8.707 1.00 2.07 H new ATOM 0 HG3 GLU A 42 -4.487 -4.725 7.970 1.00 2.07 H new ATOM 618 N LYS A 43 -6.944 -3.145 4.137 1.00 0.48 N ATOM 619 CA LYS A 43 -6.942 -2.954 2.706 1.00 0.55 C ATOM 620 C LYS A 43 -5.898 -1.894 2.370 1.00 0.47 C ATOM 621 O LYS A 43 -5.913 -0.792 2.926 1.00 0.66 O ATOM 622 CB LYS A 43 -8.368 -2.591 2.260 1.00 0.94 C ATOM 623 CG LYS A 43 -8.443 -2.065 0.819 1.00 1.30 C ATOM 624 CD LYS A 43 -8.507 -0.530 0.836 1.00 1.08 C ATOM 625 CE LYS A 43 -9.941 -0.026 1.047 1.00 0.57 C ATOM 626 NZ LYS A 43 -10.672 0.172 -0.223 1.00 1.30 N ATOM 0 H LYS A 43 -7.414 -2.396 4.646 1.00 0.48 H new ATOM 0 HA LYS A 43 -6.666 -3.857 2.162 1.00 0.55 H new ATOM 0 HB2 LYS A 43 -9.004 -3.472 2.351 1.00 0.94 H new ATOM 0 HB3 LYS A 43 -8.771 -1.836 2.935 1.00 0.94 H new ATOM 0 HG2 LYS A 43 -7.572 -2.397 0.254 1.00 1.30 H new ATOM 0 HG3 LYS A 43 -9.322 -2.471 0.318 1.00 1.30 H new ATOM 0 HD2 LYS A 43 -7.866 -0.147 1.630 1.00 1.08 H new ATOM 0 HD3 LYS A 43 -8.118 -0.139 -0.104 1.00 1.08 H new ATOM 0 HE2 LYS A 43 -10.485 -0.740 1.666 1.00 0.57 H new ATOM 0 HE3 LYS A 43 -9.913 0.916 1.595 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 -11.634 0.513 -0.021 1.00 1.30 H new ATOM 0 HZ2 LYS A 43 -10.172 0.873 -0.806 1.00 1.30 H new ATOM 0 HZ3 LYS A 43 -10.725 -0.730 -0.737 1.00 1.30 H new ATOM 640 N LEU A 44 -5.029 -2.227 1.413 1.00 0.34 N ATOM 641 CA LEU A 44 -4.188 -1.267 0.722 1.00 0.44 C ATOM 642 C LEU A 44 -4.917 -0.964 -0.558 1.00 0.38 C ATOM 643 O LEU A 44 -5.154 -1.901 -1.314 1.00 0.46 O ATOM 644 CB LEU A 44 -2.812 -1.902 0.397 1.00 0.52 C ATOM 645 CG LEU A 44 -1.580 -1.103 0.832 1.00 0.80 C ATOM 646 CD1 LEU A 44 -1.105 -0.064 -0.172 1.00 0.69 C ATOM 647 CD2 LEU A 44 -1.834 -0.390 2.144 1.00 1.41 C ATOM 0 H LEU A 44 -4.893 -3.187 1.097 1.00 0.34 H new ATOM 0 HA LEU A 44 -4.007 -0.375 1.322 1.00 0.44 H new ATOM 0 HB2 LEU A 44 -2.768 -2.884 0.868 1.00 0.52 H new ATOM 0 HB3 LEU A 44 -2.754 -2.062 -0.680 1.00 0.52 H new ATOM 0 HG LEU A 44 -0.796 -1.854 0.925 1.00 0.80 H new ATOM 0 HD11 LEU A 44 -0.229 0.450 0.223 1.00 0.69 H new ATOM 0 HD12 LEU A 44 -0.845 -0.556 -1.109 1.00 0.69 H new ATOM 0 HD13 LEU A 44 -1.900 0.659 -0.351 1.00 0.69 H new ATOM 0 HD21 LEU A 44 -0.944 0.170 2.432 1.00 1.41 H new ATOM 0 HD22 LEU A 44 -2.673 0.296 2.029 1.00 1.41 H new ATOM 0 HD23 LEU A 44 -2.067 -1.122 2.917 1.00 1.41 H new ATOM 659 N VAL A 45 -5.271 0.303 -0.803 1.00 0.28 N ATOM 660 CA VAL A 45 -5.510 0.743 -2.161 1.00 0.28 C ATOM 661 C VAL A 45 -4.628 1.915 -2.509 1.00 0.29 C ATOM 662 O VAL A 45 -4.604 2.908 -1.794 1.00 0.43 O ATOM 663 CB VAL A 45 -6.985 0.999 -2.471 1.00 0.33 C ATOM 664 CG1 VAL A 45 -7.187 1.906 -3.694 1.00 0.66 C ATOM 665 CG2 VAL A 45 -7.586 -0.351 -2.817 1.00 0.62 C ATOM 0 H VAL A 45 -5.394 1.020 -0.088 1.00 0.28 H new ATOM 0 HA VAL A 45 -5.233 -0.085 -2.813 1.00 0.28 H new ATOM 0 HB VAL A 45 -7.443 1.487 -1.611 1.00 0.33 H new ATOM 0 HG11 VAL A 45 -8.253 2.053 -3.866 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -6.712 2.871 -3.514 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -6.739 1.439 -4.571 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -8.644 -0.230 -3.049 1.00 0.62 H new ATOM 0 HG22 VAL A 45 -7.071 -0.768 -3.682 1.00 0.62 H new ATOM 0 HG23 VAL A 45 -7.476 -1.027 -1.969 1.00 0.62 H new ATOM 675 N VAL A 46 -3.930 1.783 -3.631 1.00 0.34 N ATOM 676 CA VAL A 46 -3.120 2.824 -4.226 1.00 0.28 C ATOM 677 C VAL A 46 -3.661 3.102 -5.624 1.00 0.25 C ATOM 678 O VAL A 46 -3.647 2.192 -6.454 1.00 0.41 O ATOM 679 CB VAL A 46 -1.673 2.325 -4.247 1.00 0.39 C ATOM 680 CG1 VAL A 46 -0.761 3.277 -5.017 1.00 0.48 C ATOM 681 CG2 VAL A 46 -1.167 2.212 -2.807 1.00 0.43 C ATOM 0 H VAL A 46 -3.916 0.915 -4.166 1.00 0.34 H new ATOM 0 HA VAL A 46 -3.153 3.757 -3.664 1.00 0.28 H new ATOM 0 HB VAL A 46 -1.654 1.356 -4.745 1.00 0.39 H new ATOM 0 HG11 VAL A 46 0.258 2.890 -5.010 1.00 0.48 H new ATOM 0 HG12 VAL A 46 -1.110 3.362 -6.046 1.00 0.48 H new ATOM 0 HG13 VAL A 46 -0.779 4.259 -4.545 1.00 0.48 H new ATOM 0 HG21 VAL A 46 -0.136 1.857 -2.810 1.00 0.43 H new ATOM 0 HG22 VAL A 46 -1.213 3.190 -2.328 1.00 0.43 H new ATOM 0 HG23 VAL A 46 -1.791 1.508 -2.256 1.00 0.43 H new ATOM 691 N ASP A 47 -4.117 4.334 -5.886 1.00 0.21 N ATOM 692 CA ASP A 47 -4.415 4.780 -7.239 1.00 0.24 C ATOM 693 C ASP A 47 -3.215 5.569 -7.758 1.00 0.25 C ATOM 694 O ASP A 47 -2.778 6.540 -7.120 1.00 0.34 O ATOM 695 CB ASP A 47 -5.714 5.589 -7.300 1.00 0.44 C ATOM 696 CG ASP A 47 -6.532 5.249 -8.538 1.00 1.77 C ATOM 697 OD1 ASP A 47 -5.952 5.320 -9.643 1.00 3.43 O ATOM 698 OD2 ASP A 47 -7.717 4.892 -8.353 1.00 2.06 O ATOM 0 H ASP A 47 -4.286 5.039 -5.168 1.00 0.21 H new ATOM 0 HA ASP A 47 -4.582 3.916 -7.882 1.00 0.24 H new ATOM 0 HB2 ASP A 47 -6.307 5.393 -6.407 1.00 0.44 H new ATOM 0 HB3 ASP A 47 -5.480 6.654 -7.300 1.00 0.44 H new ATOM 703 N ALA A 48 -2.631 5.078 -8.855 1.00 0.31 N ATOM 704 CA ALA A 48 -1.372 5.553 -9.398 1.00 0.37 C ATOM 705 C ALA A 48 -1.449 5.614 -10.920 1.00 0.46 C ATOM 706 O ALA A 48 -1.985 4.703 -11.556 1.00 0.60 O ATOM 707 CB ALA A 48 -0.241 4.614 -8.963 1.00 0.38 C ATOM 0 H ALA A 48 -3.039 4.318 -9.399 1.00 0.31 H new ATOM 0 HA ALA A 48 -1.171 6.555 -9.019 1.00 0.37 H new ATOM 0 HB1 ALA A 48 0.705 4.970 -9.371 1.00 0.38 H new ATOM 0 HB2 ALA A 48 -0.183 4.594 -7.875 1.00 0.38 H new ATOM 0 HB3 ALA A 48 -0.440 3.609 -9.334 1.00 0.38 H new ATOM 713 N ASP A 49 -0.864 6.657 -11.512 1.00 0.54 N ATOM 714 CA ASP A 49 -0.860 6.845 -12.959 1.00 0.67 C ATOM 715 C ASP A 49 0.350 6.139 -13.573 1.00 0.67 C ATOM 716 O ASP A 49 1.175 6.759 -14.238 1.00 0.84 O ATOM 717 CB ASP A 49 -0.951 8.341 -13.306 1.00 0.79 C ATOM 718 CG ASP A 49 -2.369 8.883 -13.161 1.00 0.89 C ATOM 719 OD1 ASP A 49 -2.976 8.617 -12.100 1.00 2.07 O ATOM 720 OD2 ASP A 49 -2.834 9.546 -14.113 1.00 1.76 O ATOM 0 H ASP A 49 -0.380 7.394 -10.999 1.00 0.54 H new ATOM 0 HA ASP A 49 -1.743 6.383 -13.400 1.00 0.67 H new ATOM 0 HB2 ASP A 49 -0.281 8.904 -12.656 1.00 0.79 H new ATOM 0 HB3 ASP A 49 -0.608 8.496 -14.329 1.00 0.79 H new ATOM 725 N ASN A 50 0.429 4.821 -13.352 1.00 0.54 N ATOM 726 CA ASN A 50 1.431 3.887 -13.882 1.00 0.50 C ATOM 727 C ASN A 50 1.226 2.533 -13.199 1.00 0.57 C ATOM 728 O ASN A 50 0.413 2.455 -12.276 1.00 1.71 O ATOM 729 CB ASN A 50 2.879 4.374 -13.664 1.00 0.54 C ATOM 730 CG ASN A 50 3.302 4.579 -12.208 1.00 0.61 C ATOM 731 OD1 ASN A 50 2.452 4.295 -11.222 1.00 1.42 O flip ATOM 732 ND2 ASN A 50 4.423 5.005 -11.951 1.00 0.69 N flip ATOM 0 H ASN A 50 -0.251 4.347 -12.758 1.00 0.54 H new ATOM 0 HA ASN A 50 1.292 3.811 -14.960 1.00 0.50 H new ATOM 0 HB2 ASN A 50 3.557 3.653 -14.121 1.00 0.54 H new ATOM 0 HB3 ASN A 50 3.009 5.316 -14.196 1.00 0.54 H new ATOM 0 HD21 ASN A 50 5.072 5.222 -12.707 1.00 0.69 H new ATOM 0 HD22 ASN A 50 4.706 5.143 -10.981 1.00 0.69 H new ATOM 739 N ASP A 51 1.997 1.503 -13.565 1.00 0.84 N ATOM 740 CA ASP A 51 2.140 0.314 -12.730 1.00 0.76 C ATOM 741 C ASP A 51 3.273 0.559 -11.738 1.00 0.61 C ATOM 742 O ASP A 51 4.378 0.920 -12.142 1.00 0.85 O ATOM 743 CB ASP A 51 2.430 -0.937 -13.568 1.00 1.08 C ATOM 744 CG ASP A 51 2.443 -2.216 -12.725 1.00 2.04 C ATOM 745 OD1 ASP A 51 2.463 -2.113 -11.476 1.00 3.15 O ATOM 746 OD2 ASP A 51 2.422 -3.296 -13.349 1.00 2.70 O ATOM 0 H ASP A 51 2.530 1.473 -14.434 1.00 0.84 H new ATOM 0 HA ASP A 51 1.203 0.135 -12.204 1.00 0.76 H new ATOM 0 HB2 ASP A 51 1.677 -1.029 -14.351 1.00 1.08 H new ATOM 0 HB3 ASP A 51 3.394 -0.823 -14.064 1.00 1.08 H new ATOM 751 N ILE A 52 2.988 0.362 -10.451 1.00 0.40 N ATOM 752 CA ILE A 52 3.981 0.305 -9.393 1.00 0.32 C ATOM 753 C ILE A 52 3.649 -0.823 -8.406 1.00 0.24 C ATOM 754 O ILE A 52 4.097 -0.768 -7.265 1.00 0.28 O ATOM 755 CB ILE A 52 4.079 1.672 -8.680 1.00 0.47 C ATOM 756 CG1 ILE A 52 2.715 2.323 -8.394 1.00 0.50 C ATOM 757 CG2 ILE A 52 4.945 2.655 -9.478 1.00 0.78 C ATOM 758 CD1 ILE A 52 1.781 1.465 -7.544 1.00 0.68 C ATOM 0 H ILE A 52 2.034 0.235 -10.113 1.00 0.40 H new ATOM 0 HA ILE A 52 4.955 0.085 -9.830 1.00 0.32 H new ATOM 0 HB ILE A 52 4.545 1.456 -7.719 1.00 0.47 H new ATOM 0 HG12 ILE A 52 2.878 3.275 -7.888 1.00 0.50 H new ATOM 0 HG13 ILE A 52 2.225 2.545 -9.342 1.00 0.50 H new ATOM 0 HG21 ILE A 52 4.995 3.607 -8.950 1.00 0.78 H new ATOM 0 HG22 ILE A 52 5.950 2.248 -9.588 1.00 0.78 H new ATOM 0 HG23 ILE A 52 4.506 2.809 -10.464 1.00 0.78 H new ATOM 0 HD11 ILE A 52 0.841 1.995 -7.388 1.00 0.68 H new ATOM 0 HD12 ILE A 52 1.585 0.523 -8.056 1.00 0.68 H new ATOM 0 HD13 ILE A 52 2.248 1.264 -6.580 1.00 0.68 H new ATOM 770 N ARG A 53 2.871 -1.848 -8.773 1.00 0.30 N ATOM 771 CA ARG A 53 2.349 -2.760 -7.741 1.00 0.37 C ATOM 772 C ARG A 53 3.469 -3.486 -7.029 1.00 0.32 C ATOM 773 O ARG A 53 3.474 -3.548 -5.804 1.00 0.38 O ATOM 774 CB ARG A 53 1.348 -3.787 -8.261 1.00 0.46 C ATOM 775 CG ARG A 53 0.266 -3.049 -9.022 1.00 0.52 C ATOM 776 CD ARG A 53 -0.954 -3.892 -9.389 1.00 0.62 C ATOM 777 NE ARG A 53 -0.655 -5.330 -9.499 1.00 0.83 N ATOM 778 CZ ARG A 53 -1.372 -6.314 -8.927 1.00 1.53 C ATOM 779 NH1 ARG A 53 -2.481 -6.030 -8.240 1.00 3.21 N ATOM 780 NH2 ARG A 53 -0.983 -7.588 -9.040 1.00 1.79 N ATOM 0 H ARG A 53 2.596 -2.064 -9.731 1.00 0.30 H new ATOM 0 HA ARG A 53 1.816 -2.111 -7.047 1.00 0.37 H new ATOM 0 HB2 ARG A 53 1.845 -4.508 -8.910 1.00 0.46 H new ATOM 0 HB3 ARG A 53 0.915 -4.349 -7.433 1.00 0.46 H new ATOM 0 HG2 ARG A 53 -0.064 -2.200 -8.423 1.00 0.52 H new ATOM 0 HG3 ARG A 53 0.698 -2.644 -9.937 1.00 0.52 H new ATOM 0 HD2 ARG A 53 -1.728 -3.745 -8.636 1.00 0.62 H new ATOM 0 HD3 ARG A 53 -1.360 -3.539 -10.337 1.00 0.62 H new ATOM 0 HE ARG A 53 0.159 -5.601 -10.052 1.00 0.83 H new ATOM 0 HH11 ARG A 53 -2.789 -5.062 -8.146 1.00 3.21 H new ATOM 0 HH12 ARG A 53 -3.020 -6.781 -7.809 1.00 3.21 H new ATOM 0 HH21 ARG A 53 -0.138 -7.819 -9.562 1.00 1.79 H new ATOM 0 HH22 ARG A 53 -1.531 -8.329 -8.604 1.00 1.79 H new ATOM 794 N ALA A 54 4.420 -4.003 -7.806 1.00 0.27 N ATOM 795 CA ALA A 54 5.609 -4.639 -7.270 1.00 0.24 C ATOM 796 C ALA A 54 6.391 -3.643 -6.412 1.00 0.21 C ATOM 797 O ALA A 54 7.020 -4.006 -5.421 1.00 0.24 O ATOM 798 CB ALA A 54 6.471 -5.159 -8.422 1.00 0.27 C ATOM 0 H ALA A 54 4.382 -3.989 -8.825 1.00 0.27 H new ATOM 0 HA ALA A 54 5.322 -5.481 -6.640 1.00 0.24 H new ATOM 0 HB1 ALA A 54 7.365 -5.637 -8.021 1.00 0.27 H new ATOM 0 HB2 ALA A 54 5.902 -5.884 -9.004 1.00 0.27 H new ATOM 0 HB3 ALA A 54 6.762 -4.327 -9.063 1.00 0.27 H new ATOM 804 N GLN A 55 6.348 -2.359 -6.784 1.00 0.20 N ATOM 805 CA GLN A 55 7.089 -1.358 -6.043 1.00 0.23 C ATOM 806 C GLN A 55 6.430 -1.106 -4.701 1.00 0.25 C ATOM 807 O GLN A 55 7.106 -1.103 -3.669 1.00 0.34 O ATOM 808 CB GLN A 55 7.282 -0.078 -6.862 1.00 0.29 C ATOM 809 CG GLN A 55 8.679 -0.022 -7.489 1.00 0.85 C ATOM 810 CD GLN A 55 8.924 1.321 -8.167 1.00 1.03 C ATOM 811 OE1 GLN A 55 9.432 2.251 -7.551 1.00 2.36 O ATOM 812 NE2 GLN A 55 8.559 1.445 -9.439 1.00 0.95 N ATOM 0 H GLN A 55 5.817 -2.003 -7.579 1.00 0.20 H new ATOM 0 HA GLN A 55 8.091 -1.738 -5.846 1.00 0.23 H new ATOM 0 HB2 GLN A 55 6.527 -0.029 -7.647 1.00 0.29 H new ATOM 0 HB3 GLN A 55 7.134 0.792 -6.222 1.00 0.29 H new ATOM 0 HG2 GLN A 55 9.433 -0.187 -6.719 1.00 0.85 H new ATOM 0 HG3 GLN A 55 8.786 -0.825 -8.218 1.00 0.85 H new ATOM 0 HE21 GLN A 55 8.138 0.655 -9.928 1.00 0.95 H new ATOM 0 HE22 GLN A 55 8.700 2.330 -9.926 1.00 0.95 H new ATOM 821 N VAL A 56 5.112 -0.915 -4.697 1.00 0.23 N ATOM 822 CA VAL A 56 4.442 -0.672 -3.449 1.00 0.23 C ATOM 823 C VAL A 56 4.568 -1.939 -2.603 1.00 0.31 C ATOM 824 O VAL A 56 4.888 -1.843 -1.426 1.00 0.41 O ATOM 825 CB VAL A 56 2.992 -0.289 -3.698 1.00 0.25 C ATOM 826 CG1 VAL A 56 2.258 -0.280 -2.350 1.00 0.39 C ATOM 827 CG2 VAL A 56 2.982 1.148 -4.229 1.00 0.37 C ATOM 0 H VAL A 56 4.514 -0.925 -5.523 1.00 0.23 H new ATOM 0 HA VAL A 56 4.895 0.162 -2.914 1.00 0.23 H new ATOM 0 HB VAL A 56 2.522 -0.983 -4.395 1.00 0.25 H new ATOM 0 HG11 VAL A 56 1.214 -0.007 -2.506 1.00 0.39 H new ATOM 0 HG12 VAL A 56 2.311 -1.272 -1.900 1.00 0.39 H new ATOM 0 HG13 VAL A 56 2.727 0.445 -1.685 1.00 0.39 H new ATOM 0 HG21 VAL A 56 1.955 1.458 -4.420 1.00 0.37 H new ATOM 0 HG22 VAL A 56 3.430 1.812 -3.490 1.00 0.37 H new ATOM 0 HG23 VAL A 56 3.554 1.197 -5.156 1.00 0.37 H new ATOM 837 N GLU A 57 4.333 -3.121 -3.188 1.00 0.30 N ATOM 838 CA GLU A 57 4.541 -4.388 -2.494 1.00 0.34 C ATOM 839 C GLU A 57 5.902 -4.417 -1.818 1.00 0.35 C ATOM 840 O GLU A 57 5.954 -4.553 -0.601 1.00 0.45 O ATOM 841 CB GLU A 57 4.276 -5.603 -3.398 1.00 0.36 C ATOM 842 CG GLU A 57 5.011 -6.911 -3.062 1.00 0.47 C ATOM 843 CD GLU A 57 6.378 -7.045 -3.720 1.00 1.88 C ATOM 844 OE1 GLU A 57 6.413 -6.974 -4.966 1.00 3.04 O ATOM 845 OE2 GLU A 57 7.353 -7.232 -2.964 1.00 3.08 O ATOM 0 H GLU A 57 3.997 -3.221 -4.146 1.00 0.30 H new ATOM 0 HA GLU A 57 3.797 -4.463 -1.701 1.00 0.34 H new ATOM 0 HB2 GLU A 57 3.205 -5.806 -3.384 1.00 0.36 H new ATOM 0 HB3 GLU A 57 4.534 -5.325 -4.420 1.00 0.36 H new ATOM 0 HG2 GLU A 57 5.132 -6.979 -1.981 1.00 0.47 H new ATOM 0 HG3 GLU A 57 4.389 -7.753 -3.367 1.00 0.47 H new ATOM 852 N SER A 58 6.983 -4.245 -2.576 1.00 0.31 N ATOM 853 CA SER A 58 8.325 -4.297 -2.021 1.00 0.39 C ATOM 854 C SER A 58 8.445 -3.322 -0.843 1.00 0.40 C ATOM 855 O SER A 58 8.912 -3.686 0.238 1.00 0.53 O ATOM 856 CB SER A 58 9.336 -4.018 -3.138 1.00 0.41 C ATOM 857 OG SER A 58 10.660 -4.217 -2.680 1.00 0.64 O ATOM 0 H SER A 58 6.950 -4.068 -3.580 1.00 0.31 H new ATOM 0 HA SER A 58 8.540 -5.288 -1.623 1.00 0.39 H new ATOM 0 HB2 SER A 58 9.138 -4.673 -3.986 1.00 0.41 H new ATOM 0 HB3 SER A 58 9.219 -2.994 -3.493 1.00 0.41 H new ATOM 0 HG SER A 58 11.289 -4.035 -3.409 1.00 0.64 H new ATOM 863 N ALA A 59 7.976 -2.087 -1.037 1.00 0.32 N ATOM 864 CA ALA A 59 8.019 -1.044 -0.025 1.00 0.33 C ATOM 865 C ALA A 59 7.259 -1.437 1.245 1.00 0.40 C ATOM 866 O ALA A 59 7.808 -1.355 2.338 1.00 0.43 O ATOM 867 CB ALA A 59 7.451 0.242 -0.616 1.00 0.32 C ATOM 0 H ALA A 59 7.552 -1.786 -1.914 1.00 0.32 H new ATOM 0 HA ALA A 59 9.058 -0.893 0.269 1.00 0.33 H new ATOM 0 HB1 ALA A 59 7.479 1.031 0.135 1.00 0.32 H new ATOM 0 HB2 ALA A 59 8.047 0.541 -1.478 1.00 0.32 H new ATOM 0 HB3 ALA A 59 6.420 0.075 -0.928 1.00 0.32 H new ATOM 873 N LEU A 60 5.996 -1.845 1.114 1.00 0.48 N ATOM 874 CA LEU A 60 5.126 -2.301 2.187 1.00 0.57 C ATOM 875 C LEU A 60 5.793 -3.456 2.925 1.00 0.59 C ATOM 876 O LEU A 60 5.906 -3.457 4.151 1.00 0.65 O ATOM 877 CB LEU A 60 3.813 -2.802 1.563 1.00 0.51 C ATOM 878 CG LEU A 60 2.722 -1.757 1.285 1.00 0.79 C ATOM 879 CD1 LEU A 60 1.822 -1.669 2.506 1.00 2.04 C ATOM 880 CD2 LEU A 60 3.209 -0.336 1.006 1.00 2.11 C ATOM 0 H LEU A 60 5.532 -1.865 0.206 1.00 0.48 H new ATOM 0 HA LEU A 60 4.934 -1.486 2.885 1.00 0.57 H new ATOM 0 HB2 LEU A 60 4.054 -3.297 0.622 1.00 0.51 H new ATOM 0 HB3 LEU A 60 3.393 -3.560 2.224 1.00 0.51 H new ATOM 0 HG LEU A 60 2.228 -2.105 0.378 1.00 0.79 H new ATOM 0 HD11 LEU A 60 1.039 -0.931 2.329 1.00 2.04 H new ATOM 0 HD12 LEU A 60 1.368 -2.642 2.694 1.00 2.04 H new ATOM 0 HD13 LEU A 60 2.412 -1.371 3.372 1.00 2.04 H new ATOM 0 HD21 LEU A 60 2.352 0.313 0.824 1.00 2.11 H new ATOM 0 HD22 LEU A 60 3.768 0.033 1.866 1.00 2.11 H new ATOM 0 HD23 LEU A 60 3.855 -0.339 0.128 1.00 2.11 H new ATOM 892 N GLN A 61 6.218 -4.462 2.163 1.00 0.59 N ATOM 893 CA GLN A 61 6.841 -5.641 2.741 1.00 0.77 C ATOM 894 C GLN A 61 8.021 -5.195 3.594 1.00 0.78 C ATOM 895 O GLN A 61 8.077 -5.505 4.784 1.00 0.94 O ATOM 896 CB GLN A 61 7.255 -6.633 1.645 1.00 0.82 C ATOM 897 CG GLN A 61 6.874 -8.070 2.020 1.00 0.95 C ATOM 898 CD GLN A 61 6.936 -8.996 0.811 1.00 0.97 C ATOM 899 OE1 GLN A 61 7.804 -9.856 0.715 1.00 2.21 O ATOM 900 NE2 GLN A 61 5.997 -8.825 -0.115 1.00 0.66 N ATOM 0 H GLN A 61 6.141 -4.480 1.146 1.00 0.59 H new ATOM 0 HA GLN A 61 6.131 -6.169 3.377 1.00 0.77 H new ATOM 0 HB2 GLN A 61 6.775 -6.361 0.705 1.00 0.82 H new ATOM 0 HB3 GLN A 61 8.331 -6.571 1.483 1.00 0.82 H new ATOM 0 HG2 GLN A 61 7.547 -8.436 2.795 1.00 0.95 H new ATOM 0 HG3 GLN A 61 5.868 -8.084 2.439 1.00 0.95 H new ATOM 0 HE21 GLN A 61 5.292 -8.097 0.002 1.00 0.66 H new ATOM 0 HE22 GLN A 61 5.982 -9.421 -0.942 1.00 0.66 H new ATOM 909 N LYS A 62 8.915 -4.401 2.995 1.00 0.66 N ATOM 910 CA LYS A 62 10.088 -3.890 3.679 1.00 0.64 C ATOM 911 C LYS A 62 9.695 -3.072 4.918 1.00 0.58 C ATOM 912 O LYS A 62 10.335 -3.186 5.961 1.00 0.63 O ATOM 913 CB LYS A 62 10.931 -3.048 2.712 1.00 0.68 C ATOM 914 CG LYS A 62 12.292 -2.686 3.325 1.00 1.28 C ATOM 915 CD LYS A 62 12.943 -1.539 2.545 1.00 1.62 C ATOM 916 CE LYS A 62 14.271 -1.147 3.208 1.00 2.81 C ATOM 917 NZ LYS A 62 14.872 0.048 2.581 1.00 3.69 N ATOM 0 H LYS A 62 8.838 -4.100 2.023 1.00 0.66 H new ATOM 0 HA LYS A 62 10.685 -4.735 4.021 1.00 0.64 H new ATOM 0 HB2 LYS A 62 11.083 -3.600 1.784 1.00 0.68 H new ATOM 0 HB3 LYS A 62 10.392 -2.136 2.456 1.00 0.68 H new ATOM 0 HG2 LYS A 62 12.163 -2.397 4.368 1.00 1.28 H new ATOM 0 HG3 LYS A 62 12.946 -3.558 3.315 1.00 1.28 H new ATOM 0 HD2 LYS A 62 13.117 -1.842 1.512 1.00 1.62 H new ATOM 0 HD3 LYS A 62 12.273 -0.680 2.517 1.00 1.62 H new ATOM 0 HE2 LYS A 62 14.104 -0.955 4.268 1.00 2.81 H new ATOM 0 HE3 LYS A 62 14.969 -1.981 3.141 1.00 2.81 H new ATOM 0 HZ1 LYS A 62 15.767 0.278 3.059 1.00 3.69 H new ATOM 0 HZ2 LYS A 62 15.056 -0.143 1.575 1.00 3.69 H new ATOM 0 HZ3 LYS A 62 14.217 0.851 2.667 1.00 3.69 H new ATOM 931 N ALA A 63 8.676 -2.216 4.789 1.00 0.52 N ATOM 932 CA ALA A 63 8.181 -1.356 5.856 1.00 0.55 C ATOM 933 C ALA A 63 7.847 -2.179 7.098 1.00 0.62 C ATOM 934 O ALA A 63 8.087 -1.726 8.216 1.00 0.71 O ATOM 935 CB ALA A 63 6.954 -0.571 5.385 1.00 0.55 C ATOM 0 H ALA A 63 8.163 -2.103 3.915 1.00 0.52 H new ATOM 0 HA ALA A 63 8.965 -0.646 6.117 1.00 0.55 H new ATOM 0 HB1 ALA A 63 6.597 0.066 6.194 1.00 0.55 H new ATOM 0 HB2 ALA A 63 7.224 0.047 4.529 1.00 0.55 H new ATOM 0 HB3 ALA A 63 6.166 -1.266 5.096 1.00 0.55 H new ATOM 941 N GLY A 64 7.313 -3.384 6.883 1.00 0.69 N ATOM 942 CA GLY A 64 7.197 -4.406 7.909 1.00 0.76 C ATOM 943 C GLY A 64 5.822 -5.049 7.862 1.00 0.59 C ATOM 944 O GLY A 64 5.153 -5.146 8.889 1.00 0.76 O ATOM 0 H GLY A 64 6.946 -3.674 5.977 1.00 0.69 H new ATOM 0 HA2 GLY A 64 7.966 -5.165 7.764 1.00 0.76 H new ATOM 0 HA3 GLY A 64 7.366 -3.965 8.891 1.00 0.76 H new ATOM 948 N TYR A 65 5.402 -5.481 6.672 1.00 0.37 N ATOM 949 CA TYR A 65 4.114 -6.132 6.477 1.00 0.36 C ATOM 950 C TYR A 65 4.289 -7.418 5.681 1.00 0.53 C ATOM 951 O TYR A 65 5.395 -7.848 5.357 1.00 1.41 O ATOM 952 CB TYR A 65 3.148 -5.179 5.757 1.00 0.50 C ATOM 953 CG TYR A 65 2.991 -3.826 6.416 1.00 0.67 C ATOM 954 CD1 TYR A 65 2.646 -3.740 7.776 1.00 1.68 C ATOM 955 CD2 TYR A 65 3.266 -2.656 5.688 1.00 2.04 C ATOM 956 CE1 TYR A 65 2.679 -2.498 8.426 1.00 1.73 C ATOM 957 CE2 TYR A 65 3.224 -1.404 6.320 1.00 2.22 C ATOM 958 CZ TYR A 65 2.957 -1.335 7.696 1.00 1.19 C ATOM 959 OH TYR A 65 2.977 -0.140 8.334 1.00 1.47 O ATOM 0 H TYR A 65 5.950 -5.387 5.817 1.00 0.37 H new ATOM 0 HA TYR A 65 3.693 -6.385 7.450 1.00 0.36 H new ATOM 0 HB2 TYR A 65 3.497 -5.032 4.735 1.00 0.50 H new ATOM 0 HB3 TYR A 65 2.169 -5.654 5.694 1.00 0.50 H new ATOM 0 HD1 TYR A 65 2.356 -4.628 8.319 1.00 1.68 H new ATOM 0 HD2 TYR A 65 3.511 -2.721 4.638 1.00 2.04 H new ATOM 0 HE1 TYR A 65 2.490 -2.438 9.488 1.00 1.73 H new ATOM 0 HE2 TYR A 65 3.396 -0.501 5.752 1.00 2.22 H new ATOM 0 HH TYR A 65 2.335 0.467 7.911 1.00 1.47 H new ATOM 969 N SER A 66 3.164 -8.029 5.336 1.00 0.49 N ATOM 970 CA SER A 66 3.071 -9.063 4.340 1.00 0.42 C ATOM 971 C SER A 66 1.732 -8.838 3.662 1.00 0.35 C ATOM 972 O SER A 66 0.765 -8.426 4.309 1.00 0.55 O ATOM 973 CB SER A 66 3.190 -10.438 4.997 1.00 0.52 C ATOM 974 OG SER A 66 4.503 -10.592 5.498 1.00 1.85 O ATOM 0 H SER A 66 2.265 -7.803 5.762 1.00 0.49 H new ATOM 0 HA SER A 66 3.876 -9.028 3.605 1.00 0.42 H new ATOM 0 HB2 SER A 66 2.464 -10.534 5.805 1.00 0.52 H new ATOM 0 HB3 SER A 66 2.968 -11.222 4.273 1.00 0.52 H new ATOM 0 HG SER A 66 4.979 -9.737 5.437 1.00 1.85 H new ATOM 980 N LEU A 67 1.727 -9.045 2.351 1.00 0.45 N ATOM 981 CA LEU A 67 0.618 -8.862 1.454 1.00 0.44 C ATOM 982 C LEU A 67 0.780 -9.919 0.385 1.00 0.45 C ATOM 983 O LEU A 67 1.839 -10.539 0.276 1.00 0.41 O ATOM 984 CB LEU A 67 0.640 -7.448 0.858 1.00 0.43 C ATOM 985 CG LEU A 67 1.988 -7.107 0.192 1.00 0.58 C ATOM 986 CD1 LEU A 67 2.001 -7.424 -1.301 1.00 0.86 C ATOM 987 CD2 LEU A 67 2.334 -5.643 0.456 1.00 0.99 C ATOM 0 H LEU A 67 2.562 -9.368 1.863 1.00 0.45 H new ATOM 0 HA LEU A 67 -0.342 -8.964 1.961 1.00 0.44 H new ATOM 0 HB2 LEU A 67 -0.159 -7.355 0.122 1.00 0.43 H new ATOM 0 HB3 LEU A 67 0.434 -6.723 1.645 1.00 0.43 H new ATOM 0 HG LEU A 67 2.753 -7.741 0.639 1.00 0.58 H new ATOM 0 HD11 LEU A 67 2.973 -7.165 -1.720 1.00 0.86 H new ATOM 0 HD12 LEU A 67 1.814 -8.488 -1.449 1.00 0.86 H new ATOM 0 HD13 LEU A 67 1.224 -6.846 -1.802 1.00 0.86 H new ATOM 0 HD21 LEU A 67 3.287 -5.404 -0.015 1.00 0.99 H new ATOM 0 HD22 LEU A 67 1.554 -5.004 0.042 1.00 0.99 H new ATOM 0 HD23 LEU A 67 2.408 -5.475 1.530 1.00 0.99 H new ATOM 999 N ARG A 68 -0.281 -10.134 -0.377 1.00 0.63 N ATOM 1000 CA ARG A 68 -0.310 -11.069 -1.476 1.00 0.82 C ATOM 1001 C ARG A 68 -0.959 -10.246 -2.579 1.00 0.97 C ATOM 1002 O ARG A 68 -2.020 -9.667 -2.335 1.00 1.16 O ATOM 1003 CB ARG A 68 -1.126 -12.308 -1.073 1.00 0.94 C ATOM 1004 CG ARG A 68 -0.998 -12.631 0.433 1.00 0.77 C ATOM 1005 CD ARG A 68 -1.327 -14.080 0.812 1.00 1.43 C ATOM 1006 NE ARG A 68 -0.156 -14.957 0.635 1.00 1.58 N ATOM 1007 CZ ARG A 68 -0.042 -16.202 1.130 1.00 2.57 C ATOM 1008 NH1 ARG A 68 -1.095 -16.785 1.713 1.00 3.78 N ATOM 1009 NH2 ARG A 68 1.123 -16.856 1.047 1.00 3.14 N ATOM 0 H ARG A 68 -1.166 -9.647 -0.239 1.00 0.63 H new ATOM 0 HA ARG A 68 0.658 -11.464 -1.784 1.00 0.82 H new ATOM 0 HB2 ARG A 68 -2.175 -12.145 -1.319 1.00 0.94 H new ATOM 0 HB3 ARG A 68 -0.791 -13.166 -1.656 1.00 0.94 H new ATOM 0 HG2 ARG A 68 0.020 -12.409 0.752 1.00 0.77 H new ATOM 0 HG3 ARG A 68 -1.658 -11.966 0.990 1.00 0.77 H new ATOM 0 HD2 ARG A 68 -1.661 -14.120 1.849 1.00 1.43 H new ATOM 0 HD3 ARG A 68 -2.151 -14.441 0.197 1.00 1.43 H new ATOM 0 HE ARG A 68 0.629 -14.591 0.095 1.00 1.58 H new ATOM 0 HH11 ARG A 68 -1.982 -16.285 1.781 1.00 3.78 H new ATOM 0 HH12 ARG A 68 -1.012 -17.729 2.089 1.00 3.78 H new ATOM 0 HH21 ARG A 68 1.928 -16.410 0.607 1.00 3.14 H new ATOM 0 HH22 ARG A 68 1.206 -17.800 1.424 1.00 3.14 H new ATOM 1023 N ASP A 69 -0.279 -10.100 -3.715 1.00 0.97 N ATOM 1024 CA ASP A 69 -0.718 -9.332 -4.858 1.00 1.07 C ATOM 1025 C ASP A 69 -2.143 -9.730 -5.204 1.00 1.04 C ATOM 1026 O ASP A 69 -2.422 -10.839 -5.651 1.00 1.23 O ATOM 1027 CB ASP A 69 0.224 -9.532 -6.050 1.00 1.26 C ATOM 1028 CG ASP A 69 0.514 -10.996 -6.357 1.00 2.53 C ATOM 1029 OD1 ASP A 69 0.982 -11.682 -5.417 1.00 3.84 O ATOM 1030 OD2 ASP A 69 0.297 -11.379 -7.526 1.00 3.32 O ATOM 0 H ASP A 69 0.631 -10.536 -3.861 1.00 0.97 H new ATOM 0 HA ASP A 69 -0.696 -8.271 -4.611 1.00 1.07 H new ATOM 0 HB2 ASP A 69 -0.214 -9.064 -6.932 1.00 1.26 H new ATOM 0 HB3 ASP A 69 1.164 -9.018 -5.850 1.00 1.26 H new ATOM 1035 N GLU A 70 -3.048 -8.798 -4.943 1.00 0.92 N ATOM 1036 CA GLU A 70 -4.463 -8.984 -5.174 1.00 0.86 C ATOM 1037 C GLU A 70 -4.721 -8.539 -6.613 1.00 0.91 C ATOM 1038 O GLU A 70 -3.795 -8.151 -7.332 1.00 1.20 O ATOM 1039 CB GLU A 70 -5.204 -8.186 -4.089 1.00 0.79 C ATOM 1040 CG GLU A 70 -6.470 -8.824 -3.526 1.00 0.57 C ATOM 1041 CD GLU A 70 -7.671 -8.559 -4.401 1.00 1.32 C ATOM 1042 OE1 GLU A 70 -7.865 -9.397 -5.304 1.00 2.21 O ATOM 1043 OE2 GLU A 70 -8.332 -7.511 -4.210 1.00 2.39 O ATOM 0 H GLU A 70 -2.812 -7.882 -4.560 1.00 0.92 H new ATOM 0 HA GLU A 70 -4.821 -10.010 -5.091 1.00 0.86 H new ATOM 0 HB2 GLU A 70 -4.514 -8.009 -3.264 1.00 0.79 H new ATOM 0 HB3 GLU A 70 -5.466 -7.211 -4.500 1.00 0.79 H new ATOM 0 HG2 GLU A 70 -6.322 -9.900 -3.429 1.00 0.57 H new ATOM 0 HG3 GLU A 70 -6.658 -8.436 -2.525 1.00 0.57 H new ATOM 1050 N GLN A 71 -5.967 -8.594 -7.058 1.00 0.71 N ATOM 1051 CA GLN A 71 -6.394 -7.977 -8.300 1.00 0.64 C ATOM 1052 C GLN A 71 -6.120 -6.466 -8.279 1.00 0.77 C ATOM 1053 O GLN A 71 -5.758 -5.887 -7.252 1.00 1.09 O ATOM 1054 CB GLN A 71 -7.882 -8.289 -8.509 1.00 0.65 C ATOM 1055 CG GLN A 71 -8.770 -7.468 -7.565 1.00 1.99 C ATOM 1056 CD GLN A 71 -10.078 -8.168 -7.200 1.00 2.93 C ATOM 1057 OE1 GLN A 71 -10.768 -8.692 -8.069 1.00 3.39 O ATOM 1058 NE2 GLN A 71 -10.436 -8.158 -5.919 1.00 3.80 N ATOM 0 H GLN A 71 -6.717 -9.074 -6.560 1.00 0.71 H new ATOM 0 HA GLN A 71 -5.827 -8.383 -9.138 1.00 0.64 H new ATOM 0 HB2 GLN A 71 -8.157 -8.078 -9.543 1.00 0.65 H new ATOM 0 HB3 GLN A 71 -8.058 -9.352 -8.343 1.00 0.65 H new ATOM 0 HG2 GLN A 71 -8.215 -7.252 -6.652 1.00 1.99 H new ATOM 0 HG3 GLN A 71 -8.997 -6.510 -8.033 1.00 1.99 H new ATOM 0 HE21 GLN A 71 -9.836 -7.712 -5.225 1.00 3.80 H new ATOM 0 HE22 GLN A 71 -11.311 -8.596 -5.631 1.00 3.80 H new ATOM 1067 N ALA A 72 -6.309 -5.802 -9.420 1.00 0.73 N ATOM 1068 CA ALA A 72 -6.277 -4.349 -9.461 1.00 0.87 C ATOM 1069 C ALA A 72 -7.445 -3.806 -8.632 1.00 1.18 C ATOM 1070 O ALA A 72 -7.242 -3.194 -7.583 1.00 2.26 O ATOM 1071 CB ALA A 72 -6.316 -3.875 -10.918 1.00 0.80 C ATOM 0 H ALA A 72 -6.484 -6.248 -10.320 1.00 0.73 H new ATOM 0 HA ALA A 72 -5.354 -3.966 -9.026 1.00 0.87 H new ATOM 0 HB1 ALA A 72 -6.292 -2.786 -10.947 1.00 0.80 H new ATOM 0 HB2 ALA A 72 -5.453 -4.271 -11.453 1.00 0.80 H new ATOM 0 HB3 ALA A 72 -7.231 -4.230 -11.392 1.00 0.80 H new ATOM 1077 N ALA A 73 -8.665 -4.092 -9.090 1.00 1.05 N ATOM 1078 CA ALA A 73 -9.921 -3.745 -8.449 1.00 1.25 C ATOM 1079 C ALA A 73 -10.951 -4.788 -8.877 1.00 1.52 C ATOM 1080 O ALA A 73 -10.688 -5.525 -9.831 1.00 2.07 O ATOM 1081 CB ALA A 73 -10.354 -2.355 -8.914 1.00 1.32 C ATOM 0 H ALA A 73 -8.804 -4.599 -9.964 1.00 1.05 H new ATOM 0 HA ALA A 73 -9.823 -3.732 -7.364 1.00 1.25 H new ATOM 0 HB1 ALA A 73 -11.297 -2.089 -8.436 1.00 1.32 H new ATOM 0 HB2 ALA A 73 -9.591 -1.626 -8.642 1.00 1.32 H new ATOM 0 HB3 ALA A 73 -10.484 -2.357 -9.996 1.00 1.32 H new ATOM 1087 N GLU A 74 -12.083 -4.847 -8.175 1.00 2.30 N ATOM 1088 CA GLU A 74 -13.242 -5.606 -8.617 1.00 2.92 C ATOM 1089 C GLU A 74 -13.926 -4.847 -9.760 1.00 3.68 C ATOM 1090 O GLU A 74 -13.705 -3.616 -9.842 1.00 4.58 O ATOM 1091 CB GLU A 74 -14.203 -5.831 -7.438 1.00 4.19 C ATOM 1092 CG GLU A 74 -13.453 -6.261 -6.168 1.00 4.94 C ATOM 1093 CD GLU A 74 -14.322 -7.070 -5.216 1.00 5.94 C ATOM 1094 OE1 GLU A 74 -15.297 -6.483 -4.698 1.00 6.75 O ATOM 1095 OE2 GLU A 74 -13.980 -8.255 -5.011 1.00 6.42 O ATOM 1096 OXT GLU A 74 -14.666 -5.505 -10.523 1.00 4.19 O ATOM 0 H GLU A 74 -12.217 -4.368 -7.284 1.00 2.30 H new ATOM 0 HA GLU A 74 -12.934 -6.585 -8.983 1.00 2.92 H new ATOM 0 HB2 GLU A 74 -14.757 -4.914 -7.240 1.00 4.19 H new ATOM 0 HB3 GLU A 74 -14.934 -6.594 -7.705 1.00 4.19 H new ATOM 0 HG2 GLU A 74 -12.582 -6.852 -6.449 1.00 4.94 H new ATOM 0 HG3 GLU A 74 -13.084 -5.375 -5.652 1.00 4.94 H new TER 1103 GLU A 74