USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 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 7 SER OG : rot -36:sc= 1.23 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.0723 K(o=1.3,f=-3.1!) USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 21 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.16) USER MOD Single : A 2 SER OG : rot -70:sc= 0.689 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 157:sc= 0.812 USER MOD Single : A 9 LYS NZ :NH3+ -123:sc= 1.14 (180deg=0.572) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -116:sc= 0 (180deg=-0.402) USER MOD Single : A 15 CYS SG : rot 180:sc=-0.00601 USER MOD Single : A 24 ASN : amide:sc= 0.682 K(o=0.68,f=-0.22) USER MOD Single : A 28 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.016) USER MOD Single : A 33 ASN : amide:sc= -0.43 K(o=-0.43,f=-1) USER MOD Single : A 34 GLN : amide:sc=-0.00317 X(o=-0.0032,f=0) USER MOD Single : A 36 GLN : amide:sc= 1.1 K(o=1.1,f=-0.08) USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.041 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.309 K(o=-0.31,f=-3!) 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= 0.253 K(o=0.25,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc=-0.00587 (180deg=-0.0805) USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00845 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.095 7.058 -18.238 1.00 3.09 N ATOM 2 CA SER A 2 -8.659 6.753 -16.934 1.00 3.05 C ATOM 3 C SER A 2 -7.472 6.481 -16.023 1.00 2.08 C ATOM 4 O SER A 2 -6.449 5.996 -16.506 1.00 2.34 O ATOM 5 CB SER A 2 -9.553 5.509 -17.024 1.00 4.77 C ATOM 6 OG SER A 2 -10.041 5.140 -15.745 1.00 5.72 O ATOM 0 HA SER A 2 -9.274 7.571 -16.559 1.00 3.05 H new ATOM 0 HB2 SER A 2 -10.390 5.706 -17.694 1.00 4.77 H new ATOM 0 HB3 SER A 2 -8.989 4.682 -17.454 1.00 4.77 H new ATOM 0 HG SER A 2 -9.306 4.782 -15.205 1.00 5.72 H new ATOM 12 N GLY A 3 -7.627 6.762 -14.730 1.00 2.05 N ATOM 13 CA GLY A 3 -6.688 6.285 -13.734 1.00 1.48 C ATOM 14 C GLY A 3 -6.925 4.799 -13.490 1.00 1.21 C ATOM 15 O GLY A 3 -7.910 4.239 -13.988 1.00 1.33 O ATOM 0 H GLY A 3 -8.396 7.318 -14.355 1.00 2.05 H new ATOM 0 HA2 GLY A 3 -5.665 6.451 -14.072 1.00 1.48 H new ATOM 0 HA3 GLY A 3 -6.811 6.842 -12.805 1.00 1.48 H new ATOM 19 N THR A 4 -6.038 4.177 -12.709 1.00 1.01 N ATOM 20 CA THR A 4 -6.146 2.782 -12.316 1.00 0.69 C ATOM 21 C THR A 4 -5.931 2.646 -10.818 1.00 0.58 C ATOM 22 O THR A 4 -5.066 3.298 -10.231 1.00 0.67 O ATOM 23 CB THR A 4 -5.160 1.925 -13.113 1.00 0.70 C ATOM 24 OG1 THR A 4 -5.620 1.906 -14.434 1.00 1.44 O ATOM 25 CG2 THR A 4 -5.132 0.462 -12.655 1.00 0.79 C ATOM 0 H THR A 4 -5.213 4.642 -12.329 1.00 1.01 H new ATOM 0 HA THR A 4 -7.149 2.420 -12.543 1.00 0.69 H new ATOM 0 HB THR A 4 -4.165 2.350 -12.983 1.00 0.70 H new ATOM 0 HG1 THR A 4 -5.014 1.367 -14.984 1.00 1.44 H new ATOM 0 HG21 THR A 4 -4.414 -0.094 -13.258 1.00 0.79 H new ATOM 0 HG22 THR A 4 -4.839 0.415 -11.606 1.00 0.79 H new ATOM 0 HG23 THR A 4 -6.123 0.024 -12.775 1.00 0.79 H new ATOM 33 N ARG A 5 -6.746 1.766 -10.236 1.00 0.46 N ATOM 34 CA ARG A 5 -6.764 1.450 -8.831 1.00 0.41 C ATOM 35 C ARG A 5 -6.143 0.072 -8.648 1.00 0.36 C ATOM 36 O ARG A 5 -6.559 -0.879 -9.295 1.00 0.56 O ATOM 37 CB ARG A 5 -8.217 1.492 -8.353 1.00 0.55 C ATOM 38 CG ARG A 5 -8.292 1.506 -6.824 1.00 0.70 C ATOM 39 CD ARG A 5 -9.580 2.171 -6.315 1.00 1.46 C ATOM 40 NE ARG A 5 -10.583 1.195 -5.856 1.00 1.63 N ATOM 41 CZ ARG A 5 -11.435 0.520 -6.643 1.00 2.33 C ATOM 42 NH1 ARG A 5 -11.391 0.686 -7.967 1.00 2.67 N ATOM 43 NH2 ARG A 5 -12.331 -0.313 -6.100 1.00 3.87 N ATOM 0 H ARG A 5 -7.438 1.237 -10.766 1.00 0.46 H new ATOM 0 HA ARG A 5 -6.190 2.165 -8.242 1.00 0.41 H new ATOM 0 HB2 ARG A 5 -8.709 2.378 -8.753 1.00 0.55 H new ATOM 0 HB3 ARG A 5 -8.756 0.627 -8.739 1.00 0.55 H new ATOM 0 HG2 ARG A 5 -8.240 0.484 -6.449 1.00 0.70 H new ATOM 0 HG3 ARG A 5 -7.428 2.037 -6.424 1.00 0.70 H new ATOM 0 HD2 ARG A 5 -9.335 2.846 -5.495 1.00 1.46 H new ATOM 0 HD3 ARG A 5 -10.009 2.779 -7.112 1.00 1.46 H new ATOM 0 HE ARG A 5 -10.634 1.017 -4.853 1.00 1.63 H new ATOM 0 HH11 ARG A 5 -10.711 1.325 -8.379 1.00 2.67 H new ATOM 0 HH12 ARG A 5 -12.038 0.174 -8.567 1.00 2.67 H new ATOM 0 HH21 ARG A 5 -12.366 -0.435 -5.088 1.00 3.87 H new ATOM 0 HH22 ARG A 5 -12.979 -0.826 -6.698 1.00 3.87 H new ATOM 57 N TYR A 6 -5.138 -0.002 -7.791 1.00 0.28 N ATOM 58 CA TYR A 6 -4.464 -1.195 -7.293 1.00 0.28 C ATOM 59 C TYR A 6 -4.920 -1.531 -5.881 1.00 0.27 C ATOM 60 O TYR A 6 -4.974 -0.632 -5.046 1.00 0.41 O ATOM 61 CB TYR A 6 -2.960 -0.994 -7.355 1.00 0.35 C ATOM 62 CG TYR A 6 -2.497 -0.380 -8.646 1.00 0.51 C ATOM 63 CD1 TYR A 6 -2.690 -1.062 -9.861 1.00 1.60 C ATOM 64 CD2 TYR A 6 -2.168 0.979 -8.654 1.00 2.24 C ATOM 65 CE1 TYR A 6 -2.377 -0.426 -11.072 1.00 1.57 C ATOM 66 CE2 TYR A 6 -2.119 1.662 -9.870 1.00 2.40 C ATOM 67 CZ TYR A 6 -2.148 0.958 -11.080 1.00 1.02 C ATOM 68 OH TYR A 6 -2.030 1.639 -12.253 1.00 1.35 O ATOM 0 H TYR A 6 -4.736 0.845 -7.389 1.00 0.28 H new ATOM 0 HA TYR A 6 -4.729 -2.042 -7.926 1.00 0.28 H new ATOM 0 HB2 TYR A 6 -2.651 -0.357 -6.526 1.00 0.35 H new ATOM 0 HB3 TYR A 6 -2.466 -1.956 -7.220 1.00 0.35 H new ATOM 0 HD1 TYR A 6 -3.077 -2.070 -9.862 1.00 1.60 H new ATOM 0 HD2 TYR A 6 -1.954 1.494 -7.729 1.00 2.24 H new ATOM 0 HE1 TYR A 6 -2.313 -0.995 -11.987 1.00 1.57 H new ATOM 0 HE2 TYR A 6 -2.058 2.740 -9.878 1.00 2.40 H new ATOM 0 HH TYR A 6 -2.236 2.586 -12.104 1.00 1.35 H new ATOM 78 N SER A 7 -5.231 -2.808 -5.615 1.00 0.28 N ATOM 79 CA SER A 7 -5.569 -3.300 -4.281 1.00 0.31 C ATOM 80 C SER A 7 -4.537 -4.323 -3.782 1.00 0.31 C ATOM 81 O SER A 7 -3.856 -4.950 -4.596 1.00 0.34 O ATOM 82 CB SER A 7 -7.007 -3.837 -4.282 1.00 0.37 C ATOM 83 OG SER A 7 -7.231 -4.821 -5.277 1.00 2.14 O ATOM 0 H SER A 7 -5.254 -3.533 -6.332 1.00 0.28 H new ATOM 0 HA SER A 7 -5.528 -2.477 -3.568 1.00 0.31 H new ATOM 0 HB2 SER A 7 -7.231 -4.261 -3.303 1.00 0.37 H new ATOM 0 HB3 SER A 7 -7.698 -3.008 -4.436 1.00 0.37 H new ATOM 0 HG SER A 7 -6.715 -4.598 -6.080 1.00 2.14 H new ATOM 89 N TRP A 8 -4.393 -4.471 -2.455 1.00 0.33 N ATOM 90 CA TRP A 8 -3.601 -5.538 -1.832 1.00 0.40 C ATOM 91 C TRP A 8 -4.329 -6.059 -0.591 1.00 0.49 C ATOM 92 O TRP A 8 -5.108 -5.320 0.018 1.00 0.50 O ATOM 93 CB TRP A 8 -2.225 -5.060 -1.359 1.00 0.33 C ATOM 94 CG TRP A 8 -1.281 -4.373 -2.287 1.00 0.30 C ATOM 95 CD1 TRP A 8 -0.077 -4.820 -2.677 1.00 0.51 C ATOM 96 CD2 TRP A 8 -1.388 -3.078 -2.914 1.00 0.38 C ATOM 97 NE1 TRP A 8 0.647 -3.726 -3.148 1.00 0.89 N ATOM 98 CE2 TRP A 8 -0.080 -2.540 -3.042 1.00 0.86 C ATOM 99 CE3 TRP A 8 -2.171 -2.627 -3.990 1.00 0.71 C ATOM 100 CZ2 TRP A 8 -0.003 -1.287 -3.706 1.00 1.09 C ATOM 101 CZ3 TRP A 8 -1.426 -2.341 -5.176 1.00 0.70 C ATOM 102 CH2 TRP A 8 -0.447 -1.362 -5.017 1.00 0.46 C ATOM 0 H TRP A 8 -4.829 -3.844 -1.779 1.00 0.33 H new ATOM 0 HA TRP A 8 -3.473 -6.305 -2.596 1.00 0.40 H new ATOM 0 HB2 TRP A 8 -2.395 -4.384 -0.521 1.00 0.33 H new ATOM 0 HB3 TRP A 8 -1.704 -5.932 -0.965 1.00 0.33 H new ATOM 0 HD1 TRP A 8 0.268 -5.842 -2.634 1.00 0.51 H new ATOM 0 HE1 TRP A 8 1.593 -3.785 -3.524 1.00 0.89 H new ATOM 0 HE3 TRP A 8 -3.242 -2.507 -3.927 1.00 0.71 H new ATOM 0 HZ2 TRP A 8 0.359 -0.381 -3.243 1.00 1.09 H new ATOM 0 HZ3 TRP A 8 -1.607 -2.841 -6.116 1.00 0.70 H new ATOM 0 HH2 TRP A 8 -0.079 -0.738 -5.818 1.00 0.46 H new ATOM 113 N LYS A 9 -4.000 -7.293 -0.182 1.00 0.59 N ATOM 114 CA LYS A 9 -4.358 -7.848 1.117 1.00 0.59 C ATOM 115 C LYS A 9 -3.074 -7.868 1.923 1.00 0.71 C ATOM 116 O LYS A 9 -2.124 -8.511 1.483 1.00 0.91 O ATOM 117 CB LYS A 9 -4.875 -9.288 0.980 1.00 0.60 C ATOM 118 CG LYS A 9 -6.137 -9.347 0.122 1.00 1.46 C ATOM 119 CD LYS A 9 -5.894 -10.162 -1.148 1.00 1.15 C ATOM 120 CE LYS A 9 -6.024 -11.682 -1.013 1.00 1.41 C ATOM 121 NZ LYS A 9 -6.240 -12.292 -2.345 1.00 2.16 N ATOM 0 H LYS A 9 -3.467 -7.941 -0.762 1.00 0.59 H new ATOM 0 HA LYS A 9 -5.144 -7.255 1.584 1.00 0.59 H new ATOM 0 HB2 LYS A 9 -4.101 -9.913 0.535 1.00 0.60 H new ATOM 0 HB3 LYS A 9 -5.086 -9.696 1.968 1.00 0.60 H new ATOM 0 HG2 LYS A 9 -6.951 -9.792 0.695 1.00 1.46 H new ATOM 0 HG3 LYS A 9 -6.449 -8.337 -0.143 1.00 1.46 H new ATOM 0 HD2 LYS A 9 -6.596 -9.825 -1.911 1.00 1.15 H new ATOM 0 HD3 LYS A 9 -4.893 -9.935 -1.514 1.00 1.15 H new ATOM 0 HE2 LYS A 9 -5.123 -12.093 -0.557 1.00 1.41 H new ATOM 0 HE3 LYS A 9 -6.856 -11.927 -0.352 1.00 1.41 H new ATOM 0 HZ1 LYS A 9 -7.123 -12.841 -2.336 1.00 2.16 H new ATOM 0 HZ2 LYS A 9 -6.305 -11.543 -3.064 1.00 2.16 H new ATOM 0 HZ3 LYS A 9 -5.444 -12.921 -2.572 1.00 2.16 H new ATOM 135 N VAL A 10 -3.041 -7.161 3.050 1.00 0.70 N ATOM 136 CA VAL A 10 -1.947 -7.152 3.999 1.00 0.77 C ATOM 137 C VAL A 10 -2.399 -7.928 5.245 1.00 0.90 C ATOM 138 O VAL A 10 -3.544 -8.370 5.313 1.00 1.58 O ATOM 139 CB VAL A 10 -1.585 -5.686 4.310 1.00 0.77 C ATOM 140 CG1 VAL A 10 -0.106 -5.561 4.659 1.00 0.90 C ATOM 141 CG2 VAL A 10 -1.815 -4.742 3.117 1.00 0.61 C ATOM 0 H VAL A 10 -3.812 -6.555 3.332 1.00 0.70 H new ATOM 0 HA VAL A 10 -1.052 -7.635 3.606 1.00 0.77 H new ATOM 0 HB VAL A 10 -2.234 -5.403 5.139 1.00 0.77 H new ATOM 0 HG11 VAL A 10 0.130 -4.519 4.875 1.00 0.90 H new ATOM 0 HG12 VAL A 10 0.114 -6.172 5.534 1.00 0.90 H new ATOM 0 HG13 VAL A 10 0.497 -5.902 3.817 1.00 0.90 H new ATOM 0 HG21 VAL A 10 -1.542 -3.725 3.400 1.00 0.61 H new ATOM 0 HG22 VAL A 10 -1.200 -5.062 2.276 1.00 0.61 H new ATOM 0 HG23 VAL A 10 -2.866 -4.769 2.829 1.00 0.61 H new ATOM 151 N SER A 11 -1.515 -8.080 6.231 1.00 0.42 N ATOM 152 CA SER A 11 -1.837 -8.470 7.590 1.00 0.40 C ATOM 153 C SER A 11 -0.721 -7.883 8.456 1.00 0.42 C ATOM 154 O SER A 11 0.431 -8.265 8.251 1.00 0.57 O ATOM 155 CB SER A 11 -1.889 -10.006 7.710 1.00 0.59 C ATOM 156 OG SER A 11 -3.178 -10.445 8.096 1.00 1.18 O ATOM 0 H SER A 11 -0.516 -7.927 6.092 1.00 0.42 H new ATOM 0 HA SER A 11 -2.815 -8.104 7.902 1.00 0.40 H new ATOM 0 HB2 SER A 11 -1.619 -10.457 6.755 1.00 0.59 H new ATOM 0 HB3 SER A 11 -1.153 -10.342 8.441 1.00 0.59 H new ATOM 0 HG SER A 11 -3.184 -11.423 8.163 1.00 1.18 H new ATOM 162 N GLY A 12 -1.028 -6.967 9.381 1.00 0.43 N ATOM 163 CA GLY A 12 -0.079 -6.555 10.416 1.00 0.55 C ATOM 164 C GLY A 12 0.010 -5.048 10.668 1.00 0.62 C ATOM 165 O GLY A 12 0.672 -4.640 11.622 1.00 1.00 O ATOM 0 H GLY A 12 -1.931 -6.496 9.432 1.00 0.43 H new ATOM 0 HA2 GLY A 12 -0.351 -7.046 11.350 1.00 0.55 H new ATOM 0 HA3 GLY A 12 0.911 -6.919 10.142 1.00 0.55 H new ATOM 169 N MET A 13 -0.586 -4.201 9.822 1.00 0.53 N ATOM 170 CA MET A 13 -0.475 -2.745 9.974 1.00 0.78 C ATOM 171 C MET A 13 -1.339 -2.188 11.115 1.00 1.22 C ATOM 172 O MET A 13 -2.152 -1.291 10.903 1.00 1.95 O ATOM 173 CB MET A 13 -0.738 -2.018 8.646 1.00 0.71 C ATOM 174 CG MET A 13 -1.902 -2.575 7.818 1.00 1.32 C ATOM 175 SD MET A 13 -2.655 -1.359 6.704 1.00 1.50 S ATOM 176 CE MET A 13 -3.575 -2.452 5.607 1.00 2.14 C ATOM 0 H MET A 13 -1.150 -4.498 9.025 1.00 0.53 H new ATOM 0 HA MET A 13 0.558 -2.546 10.261 1.00 0.78 H new ATOM 0 HB2 MET A 13 -0.934 -0.967 8.858 1.00 0.71 H new ATOM 0 HB3 MET A 13 0.169 -2.058 8.042 1.00 0.71 H new ATOM 0 HG2 MET A 13 -1.545 -3.421 7.230 1.00 1.32 H new ATOM 0 HG3 MET A 13 -2.667 -2.957 8.494 1.00 1.32 H new ATOM 0 HE1 MET A 13 -3.176 -2.373 4.596 1.00 2.14 H new ATOM 0 HE2 MET A 13 -3.481 -3.481 5.955 1.00 2.14 H new ATOM 0 HE3 MET A 13 -4.626 -2.165 5.605 1.00 2.14 H new ATOM 186 N ASP A 14 -1.127 -2.668 12.341 1.00 1.31 N ATOM 187 CA ASP A 14 -1.999 -2.361 13.463 1.00 1.63 C ATOM 188 C ASP A 14 -1.552 -1.116 14.225 1.00 1.48 C ATOM 189 O ASP A 14 -1.136 -1.196 15.381 1.00 2.01 O ATOM 190 CB ASP A 14 -2.130 -3.579 14.389 1.00 2.41 C ATOM 191 CG ASP A 14 -3.047 -4.634 13.799 1.00 3.10 C ATOM 192 OD1 ASP A 14 -4.271 -4.385 13.840 1.00 3.03 O ATOM 193 OD2 ASP A 14 -2.507 -5.660 13.333 1.00 4.63 O ATOM 0 H ASP A 14 -0.346 -3.279 12.579 1.00 1.31 H new ATOM 0 HA ASP A 14 -2.985 -2.130 13.059 1.00 1.63 H new ATOM 0 HB2 ASP A 14 -1.145 -4.010 14.565 1.00 2.41 H new ATOM 0 HB3 ASP A 14 -2.516 -3.261 15.357 1.00 2.41 H new ATOM 198 N CYS A 15 -1.680 0.061 13.607 1.00 0.91 N ATOM 199 CA CYS A 15 -1.555 1.325 14.332 1.00 0.90 C ATOM 200 C CYS A 15 -1.806 2.505 13.412 1.00 1.11 C ATOM 201 O CYS A 15 -1.314 2.515 12.288 1.00 2.58 O ATOM 202 CB CYS A 15 -0.158 1.500 14.954 1.00 1.09 C ATOM 203 SG CYS A 15 -0.311 1.551 16.751 1.00 1.43 S ATOM 0 H CYS A 15 -1.869 0.164 12.610 1.00 0.91 H new ATOM 0 HA CYS A 15 -2.302 1.294 15.126 1.00 0.90 H new ATOM 0 HB2 CYS A 15 0.492 0.677 14.656 1.00 1.09 H new ATOM 0 HB3 CYS A 15 0.303 2.418 14.590 1.00 1.09 H new ATOM 0 HG CYS A 15 0.866 1.696 17.283 1.00 1.43 H new ATOM 209 N ALA A 16 -2.463 3.559 13.904 1.00 0.98 N ATOM 210 CA ALA A 16 -2.651 4.779 13.127 1.00 1.18 C ATOM 211 C ALA A 16 -1.301 5.339 12.670 1.00 1.27 C ATOM 212 O ALA A 16 -1.084 5.605 11.490 1.00 2.17 O ATOM 213 CB ALA A 16 -3.436 5.806 13.947 1.00 1.59 C ATOM 0 H ALA A 16 -2.872 3.588 14.838 1.00 0.98 H new ATOM 0 HA ALA A 16 -3.229 4.546 12.233 1.00 1.18 H new ATOM 0 HB1 ALA A 16 -3.572 6.714 13.359 1.00 1.59 H new ATOM 0 HB2 ALA A 16 -4.411 5.394 14.209 1.00 1.59 H new ATOM 0 HB3 ALA A 16 -2.885 6.042 14.857 1.00 1.59 H new ATOM 219 N ALA A 17 -0.357 5.463 13.605 1.00 1.23 N ATOM 220 CA ALA A 17 0.994 5.925 13.313 1.00 1.41 C ATOM 221 C ALA A 17 1.750 4.989 12.357 1.00 1.24 C ATOM 222 O ALA A 17 2.796 5.376 11.832 1.00 1.44 O ATOM 223 CB ALA A 17 1.760 6.098 14.625 1.00 1.91 C ATOM 0 H ALA A 17 -0.513 5.244 14.589 1.00 1.23 H new ATOM 0 HA ALA A 17 0.916 6.883 12.799 1.00 1.41 H new ATOM 0 HB1 ALA A 17 2.772 6.444 14.413 1.00 1.91 H new ATOM 0 HB2 ALA A 17 1.250 6.831 15.250 1.00 1.91 H new ATOM 0 HB3 ALA A 17 1.805 5.143 15.149 1.00 1.91 H new ATOM 229 N CYS A 18 1.268 3.759 12.153 1.00 1.10 N ATOM 230 CA CYS A 18 1.860 2.787 11.236 1.00 1.07 C ATOM 231 C CYS A 18 1.130 2.794 9.893 1.00 0.68 C ATOM 232 O CYS A 18 1.755 2.594 8.853 1.00 0.69 O ATOM 233 CB CYS A 18 1.897 1.394 11.865 1.00 1.22 C ATOM 234 SG CYS A 18 3.140 1.376 13.181 1.00 2.70 S ATOM 0 H CYS A 18 0.439 3.407 12.631 1.00 1.10 H new ATOM 0 HA CYS A 18 2.893 3.078 11.043 1.00 1.07 H new ATOM 0 HB2 CYS A 18 0.918 1.137 12.268 1.00 1.22 H new ATOM 0 HB3 CYS A 18 2.137 0.646 11.110 1.00 1.22 H new ATOM 0 HG CYS A 18 3.179 0.196 13.725 1.00 2.70 H new ATOM 240 N ALA A 19 -0.165 3.121 9.890 1.00 0.46 N ATOM 241 CA ALA A 19 -0.905 3.425 8.678 1.00 0.37 C ATOM 242 C ALA A 19 -0.164 4.508 7.891 1.00 0.36 C ATOM 243 O ALA A 19 -0.017 4.401 6.674 1.00 0.40 O ATOM 244 CB ALA A 19 -2.339 3.835 9.027 1.00 0.52 C ATOM 0 H ALA A 19 -0.727 3.181 10.739 1.00 0.46 H new ATOM 0 HA ALA A 19 -0.972 2.540 8.045 1.00 0.37 H new ATOM 0 HB1 ALA A 19 -2.886 4.061 8.112 1.00 0.52 H new ATOM 0 HB2 ALA A 19 -2.833 3.018 9.553 1.00 0.52 H new ATOM 0 HB3 ALA A 19 -2.320 4.718 9.665 1.00 0.52 H new ATOM 250 N ARG A 20 0.397 5.517 8.575 1.00 0.40 N ATOM 251 CA ARG A 20 1.279 6.426 7.885 1.00 0.39 C ATOM 252 C ARG A 20 2.461 5.713 7.223 1.00 0.33 C ATOM 253 O ARG A 20 2.758 5.982 6.067 1.00 0.33 O ATOM 254 CB ARG A 20 1.691 7.654 8.685 1.00 0.54 C ATOM 255 CG ARG A 20 0.515 8.609 8.958 1.00 0.78 C ATOM 256 CD ARG A 20 0.168 8.679 10.448 1.00 1.17 C ATOM 257 NE ARG A 20 -1.011 9.526 10.693 1.00 1.67 N ATOM 258 CZ ARG A 20 -1.011 10.869 10.750 1.00 2.19 C ATOM 259 NH1 ARG A 20 0.123 11.545 10.530 1.00 3.09 N ATOM 260 NH2 ARG A 20 -2.140 11.529 11.028 1.00 2.79 N ATOM 0 H ARG A 20 0.254 5.708 9.567 1.00 0.40 H new ATOM 0 HA ARG A 20 0.670 6.834 7.078 1.00 0.39 H new ATOM 0 HB2 ARG A 20 2.123 7.336 9.634 1.00 0.54 H new ATOM 0 HB3 ARG A 20 2.471 8.190 8.144 1.00 0.54 H new ATOM 0 HG2 ARG A 20 0.766 9.606 8.597 1.00 0.78 H new ATOM 0 HG3 ARG A 20 -0.359 8.278 8.397 1.00 0.78 H new ATOM 0 HD2 ARG A 20 -0.021 7.674 10.825 1.00 1.17 H new ATOM 0 HD3 ARG A 20 1.020 9.072 11.002 1.00 1.17 H new ATOM 0 HE ARG A 20 -1.904 9.053 10.831 1.00 1.67 H new ATOM 0 HH11 ARG A 20 0.985 11.041 10.320 1.00 3.09 H new ATOM 0 HH12 ARG A 20 0.126 12.564 10.573 1.00 3.09 H new ATOM 0 HH21 ARG A 20 -3.004 11.013 11.197 1.00 2.79 H new ATOM 0 HH22 ARG A 20 -2.138 12.548 11.071 1.00 2.79 H new ATOM 274 N LYS A 21 3.145 4.786 7.889 1.00 0.32 N ATOM 275 CA LYS A 21 4.239 4.086 7.226 1.00 0.31 C ATOM 276 C LYS A 21 3.761 3.417 5.931 1.00 0.30 C ATOM 277 O LYS A 21 4.454 3.489 4.923 1.00 0.32 O ATOM 278 CB LYS A 21 4.912 3.084 8.172 1.00 0.36 C ATOM 279 CG LYS A 21 6.229 3.625 8.751 1.00 0.72 C ATOM 280 CD LYS A 21 6.001 4.630 9.888 1.00 1.28 C ATOM 281 CE LYS A 21 5.867 3.884 11.225 1.00 2.72 C ATOM 282 NZ LYS A 21 5.377 4.760 12.305 1.00 4.23 N ATOM 0 H LYS A 21 2.969 4.509 8.855 1.00 0.32 H new ATOM 0 HA LYS A 21 4.993 4.824 6.951 1.00 0.31 H new ATOM 0 HB2 LYS A 21 4.230 2.843 8.988 1.00 0.36 H new ATOM 0 HB3 LYS A 21 5.107 2.156 7.635 1.00 0.36 H new ATOM 0 HG2 LYS A 21 6.829 2.793 9.120 1.00 0.72 H new ATOM 0 HG3 LYS A 21 6.802 4.103 7.957 1.00 0.72 H new ATOM 0 HD2 LYS A 21 6.832 5.334 9.936 1.00 1.28 H new ATOM 0 HD3 LYS A 21 5.101 5.213 9.695 1.00 1.28 H new ATOM 0 HE2 LYS A 21 5.184 3.043 11.103 1.00 2.72 H new ATOM 0 HE3 LYS A 21 6.835 3.470 11.507 1.00 2.72 H new ATOM 0 HZ1 LYS A 21 5.703 4.395 13.223 1.00 4.23 H new ATOM 0 HZ2 LYS A 21 5.744 5.723 12.165 1.00 4.23 H new ATOM 0 HZ3 LYS A 21 4.337 4.781 12.290 1.00 4.23 H new ATOM 296 N VAL A 22 2.572 2.814 5.936 1.00 0.33 N ATOM 297 CA VAL A 22 1.981 2.206 4.759 1.00 0.43 C ATOM 298 C VAL A 22 1.806 3.241 3.648 1.00 0.43 C ATOM 299 O VAL A 22 2.309 3.047 2.546 1.00 0.54 O ATOM 300 CB VAL A 22 0.640 1.564 5.143 1.00 0.54 C ATOM 301 CG1 VAL A 22 -0.132 1.058 3.929 1.00 0.73 C ATOM 302 CG2 VAL A 22 0.860 0.351 6.049 1.00 0.62 C ATOM 0 H VAL A 22 1.991 2.737 6.771 1.00 0.33 H new ATOM 0 HA VAL A 22 2.645 1.431 4.376 1.00 0.43 H new ATOM 0 HB VAL A 22 0.073 2.347 5.646 1.00 0.54 H new ATOM 0 HG11 VAL A 22 -1.072 0.613 4.255 1.00 0.73 H new ATOM 0 HG12 VAL A 22 -0.338 1.890 3.256 1.00 0.73 H new ATOM 0 HG13 VAL A 22 0.462 0.308 3.407 1.00 0.73 H new ATOM 0 HG21 VAL A 22 -0.103 -0.088 6.309 1.00 0.62 H new ATOM 0 HG22 VAL A 22 1.467 -0.388 5.526 1.00 0.62 H new ATOM 0 HG23 VAL A 22 1.373 0.664 6.958 1.00 0.62 H new ATOM 312 N GLU A 23 1.073 4.329 3.905 1.00 0.37 N ATOM 313 CA GLU A 23 0.764 5.278 2.842 1.00 0.41 C ATOM 314 C GLU A 23 2.071 5.911 2.366 1.00 0.38 C ATOM 315 O GLU A 23 2.304 6.057 1.173 1.00 0.40 O ATOM 316 CB GLU A 23 -0.277 6.320 3.295 1.00 0.48 C ATOM 317 CG GLU A 23 0.284 7.188 4.417 1.00 0.45 C ATOM 318 CD GLU A 23 -0.698 8.153 5.060 1.00 0.73 C ATOM 319 OE1 GLU A 23 -1.869 7.767 5.237 1.00 2.07 O ATOM 320 OE2 GLU A 23 -0.233 9.282 5.348 1.00 1.43 O ATOM 0 H GLU A 23 0.692 4.568 4.820 1.00 0.37 H new ATOM 0 HA GLU A 23 0.302 4.759 2.002 1.00 0.41 H new ATOM 0 HB2 GLU A 23 -0.562 6.948 2.451 1.00 0.48 H new ATOM 0 HB3 GLU A 23 -1.180 5.815 3.636 1.00 0.48 H new ATOM 0 HG2 GLU A 23 0.682 6.534 5.193 1.00 0.45 H new ATOM 0 HG3 GLU A 23 1.123 7.762 4.022 1.00 0.45 H new ATOM 327 N ASN A 24 2.950 6.272 3.299 1.00 0.33 N ATOM 328 CA ASN A 24 4.193 6.963 3.006 1.00 0.36 C ATOM 329 C ASN A 24 5.131 6.031 2.232 1.00 0.31 C ATOM 330 O ASN A 24 5.819 6.474 1.311 1.00 0.34 O ATOM 331 CB ASN A 24 4.823 7.514 4.293 1.00 0.43 C ATOM 332 CG ASN A 24 4.109 8.765 4.830 1.00 0.53 C ATOM 333 OD1 ASN A 24 4.580 9.885 4.659 1.00 0.65 O ATOM 334 ND2 ASN A 24 2.967 8.584 5.486 1.00 0.55 N ATOM 0 H ASN A 24 2.812 6.088 4.293 1.00 0.33 H new ATOM 0 HA ASN A 24 3.995 7.826 2.370 1.00 0.36 H new ATOM 0 HB2 ASN A 24 4.807 6.738 5.058 1.00 0.43 H new ATOM 0 HB3 ASN A 24 5.869 7.754 4.104 1.00 0.43 H new ATOM 0 HD21 ASN A 24 2.461 9.387 5.861 1.00 0.55 H new ATOM 0 HD22 ASN A 24 2.596 7.642 5.615 1.00 0.55 H new ATOM 341 N ALA A 25 5.107 4.727 2.542 1.00 0.30 N ATOM 342 CA ALA A 25 5.782 3.705 1.745 1.00 0.34 C ATOM 343 C ALA A 25 5.326 3.706 0.282 1.00 0.31 C ATOM 344 O ALA A 25 6.043 3.192 -0.571 1.00 0.38 O ATOM 345 CB ALA A 25 5.617 2.321 2.379 1.00 0.45 C ATOM 0 H ALA A 25 4.616 4.355 3.355 1.00 0.30 H new ATOM 0 HA ALA A 25 6.843 3.954 1.739 1.00 0.34 H new ATOM 0 HB1 ALA A 25 6.128 1.577 1.767 1.00 0.45 H new ATOM 0 HB2 ALA A 25 6.048 2.326 3.380 1.00 0.45 H new ATOM 0 HB3 ALA A 25 4.557 2.073 2.441 1.00 0.45 H new ATOM 351 N VAL A 26 4.164 4.294 -0.018 1.00 0.28 N ATOM 352 CA VAL A 26 3.676 4.504 -1.372 1.00 0.29 C ATOM 353 C VAL A 26 3.990 5.934 -1.835 1.00 0.28 C ATOM 354 O VAL A 26 4.442 6.162 -2.953 1.00 0.33 O ATOM 355 CB VAL A 26 2.174 4.177 -1.412 1.00 0.35 C ATOM 356 CG1 VAL A 26 1.654 4.302 -2.837 1.00 1.46 C ATOM 357 CG2 VAL A 26 1.922 2.752 -0.921 1.00 1.76 C ATOM 0 H VAL A 26 3.525 4.644 0.696 1.00 0.28 H new ATOM 0 HA VAL A 26 4.182 3.838 -2.071 1.00 0.29 H new ATOM 0 HB VAL A 26 1.655 4.881 -0.762 1.00 0.35 H new ATOM 0 HG11 VAL A 26 0.589 4.069 -2.858 1.00 1.46 H new ATOM 0 HG12 VAL A 26 1.809 5.320 -3.193 1.00 1.46 H new ATOM 0 HG13 VAL A 26 2.190 3.606 -3.482 1.00 1.46 H new ATOM 0 HG21 VAL A 26 0.854 2.539 -0.956 1.00 1.76 H new ATOM 0 HG22 VAL A 26 2.454 2.047 -1.560 1.00 1.76 H new ATOM 0 HG23 VAL A 26 2.278 2.652 0.104 1.00 1.76 H new ATOM 367 N ARG A 27 3.782 6.934 -0.982 1.00 0.26 N ATOM 368 CA ARG A 27 3.979 8.333 -1.349 1.00 0.26 C ATOM 369 C ARG A 27 5.424 8.610 -1.767 1.00 0.28 C ATOM 370 O ARG A 27 5.684 9.538 -2.527 1.00 0.36 O ATOM 371 CB ARG A 27 3.576 9.250 -0.194 1.00 0.28 C ATOM 372 CG ARG A 27 2.134 8.967 0.263 1.00 0.46 C ATOM 373 CD ARG A 27 1.283 10.233 0.250 1.00 1.15 C ATOM 374 NE ARG A 27 1.710 11.195 1.281 1.00 0.84 N ATOM 375 CZ ARG A 27 1.366 11.138 2.579 1.00 1.58 C ATOM 376 NH1 ARG A 27 0.565 10.162 3.002 1.00 2.88 N ATOM 377 NH2 ARG A 27 1.821 12.050 3.442 1.00 2.04 N ATOM 0 H ARG A 27 3.473 6.798 -0.020 1.00 0.26 H new ATOM 0 HA ARG A 27 3.340 8.541 -2.207 1.00 0.26 H new ATOM 0 HB2 ARG A 27 4.260 9.108 0.643 1.00 0.28 H new ATOM 0 HB3 ARG A 27 3.664 10.291 -0.505 1.00 0.28 H new ATOM 0 HG2 ARG A 27 1.685 8.219 -0.390 1.00 0.46 H new ATOM 0 HG3 ARG A 27 2.146 8.546 1.268 1.00 0.46 H new ATOM 0 HD2 ARG A 27 1.346 10.702 -0.732 1.00 1.15 H new ATOM 0 HD3 ARG A 27 0.238 9.969 0.411 1.00 1.15 H new ATOM 0 HE ARG A 27 2.313 11.963 0.987 1.00 0.84 H new ATOM 0 HH11 ARG A 27 0.218 9.465 2.343 1.00 2.88 H new ATOM 0 HH12 ARG A 27 0.299 10.111 3.985 1.00 2.88 H new ATOM 0 HH21 ARG A 27 2.435 12.797 3.118 1.00 2.04 H new ATOM 0 HH22 ARG A 27 1.555 11.999 4.425 1.00 2.04 H new ATOM 391 N GLN A 28 6.359 7.793 -1.280 1.00 0.27 N ATOM 392 CA GLN A 28 7.770 7.883 -1.616 1.00 0.30 C ATOM 393 C GLN A 28 8.062 7.566 -3.088 1.00 0.26 C ATOM 394 O GLN A 28 9.204 7.725 -3.508 1.00 0.33 O ATOM 395 CB GLN A 28 8.605 7.040 -0.646 1.00 0.35 C ATOM 396 CG GLN A 28 8.383 5.534 -0.826 1.00 0.33 C ATOM 397 CD GLN A 28 9.201 4.718 0.172 1.00 0.43 C ATOM 398 OE1 GLN A 28 9.930 3.807 -0.203 1.00 0.56 O ATOM 399 NE2 GLN A 28 9.108 5.048 1.456 1.00 0.57 N ATOM 0 H GLN A 28 6.147 7.037 -0.629 1.00 0.27 H new ATOM 0 HA GLN A 28 8.070 8.924 -1.494 1.00 0.30 H new ATOM 0 HB2 GLN A 28 9.661 7.267 -0.791 1.00 0.35 H new ATOM 0 HB3 GLN A 28 8.357 7.320 0.378 1.00 0.35 H new ATOM 0 HG2 GLN A 28 7.325 5.305 -0.702 1.00 0.33 H new ATOM 0 HG3 GLN A 28 8.655 5.245 -1.841 1.00 0.33 H new ATOM 0 HE21 GLN A 28 8.494 5.810 1.744 1.00 0.57 H new ATOM 0 HE22 GLN A 28 9.650 4.539 2.154 1.00 0.57 H new ATOM 408 N LEU A 29 7.091 7.006 -3.827 1.00 0.21 N ATOM 409 CA LEU A 29 7.249 6.608 -5.213 1.00 0.23 C ATOM 410 C LEU A 29 7.357 7.870 -6.090 1.00 0.28 C ATOM 411 O LEU A 29 8.284 8.660 -5.944 1.00 0.43 O ATOM 412 CB LEU A 29 6.079 5.683 -5.596 1.00 0.25 C ATOM 413 CG LEU A 29 5.865 4.369 -4.798 1.00 0.34 C ATOM 414 CD1 LEU A 29 5.987 3.176 -5.729 1.00 0.35 C ATOM 415 CD2 LEU A 29 6.745 4.033 -3.590 1.00 0.76 C ATOM 0 H LEU A 29 6.158 6.818 -3.459 1.00 0.21 H new ATOM 0 HA LEU A 29 8.167 6.042 -5.371 1.00 0.23 H new ATOM 0 HB2 LEU A 29 5.161 6.266 -5.522 1.00 0.25 H new ATOM 0 HB3 LEU A 29 6.202 5.414 -6.645 1.00 0.25 H new ATOM 0 HG LEU A 29 4.879 4.566 -4.377 1.00 0.34 H new ATOM 0 HD11 LEU A 29 5.836 2.256 -5.164 1.00 0.35 H new ATOM 0 HD12 LEU A 29 5.233 3.248 -6.513 1.00 0.35 H new ATOM 0 HD13 LEU A 29 6.979 3.166 -6.180 1.00 0.35 H new ATOM 0 HD21 LEU A 29 6.437 3.075 -3.171 1.00 0.76 H new ATOM 0 HD22 LEU A 29 7.787 3.974 -3.904 1.00 0.76 H new ATOM 0 HD23 LEU A 29 6.638 4.811 -2.834 1.00 0.76 H new ATOM 427 N ALA A 30 6.420 8.066 -7.019 1.00 0.26 N ATOM 428 CA ALA A 30 6.400 9.194 -7.944 1.00 0.31 C ATOM 429 C ALA A 30 5.125 9.124 -8.775 1.00 0.35 C ATOM 430 O ALA A 30 4.404 10.104 -8.918 1.00 0.38 O ATOM 431 CB ALA A 30 7.618 9.151 -8.877 1.00 0.38 C ATOM 0 H ALA A 30 5.636 7.427 -7.150 1.00 0.26 H new ATOM 0 HA ALA A 30 6.432 10.123 -7.375 1.00 0.31 H new ATOM 0 HB1 ALA A 30 7.584 10.001 -9.559 1.00 0.38 H new ATOM 0 HB2 ALA A 30 8.532 9.197 -8.285 1.00 0.38 H new ATOM 0 HB3 ALA A 30 7.604 8.224 -9.451 1.00 0.38 H new ATOM 437 N GLY A 31 4.862 7.934 -9.319 1.00 0.36 N ATOM 438 CA GLY A 31 3.728 7.691 -10.204 1.00 0.40 C ATOM 439 C GLY A 31 2.387 7.690 -9.465 1.00 0.41 C ATOM 440 O GLY A 31 1.328 7.868 -10.063 1.00 0.55 O ATOM 0 H GLY A 31 5.436 7.107 -9.155 1.00 0.36 H new ATOM 0 HA2 GLY A 31 3.709 8.456 -10.981 1.00 0.40 H new ATOM 0 HA3 GLY A 31 3.863 6.732 -10.704 1.00 0.40 H new ATOM 444 N VAL A 32 2.426 7.434 -8.155 1.00 0.31 N ATOM 445 CA VAL A 32 1.244 7.421 -7.311 1.00 0.30 C ATOM 446 C VAL A 32 0.495 8.751 -7.406 1.00 0.35 C ATOM 447 O VAL A 32 1.127 9.804 -7.403 1.00 0.45 O ATOM 448 CB VAL A 32 1.703 7.138 -5.875 1.00 0.33 C ATOM 449 CG1 VAL A 32 0.575 7.333 -4.853 1.00 0.42 C ATOM 450 CG2 VAL A 32 2.265 5.710 -5.802 1.00 0.33 C ATOM 0 H VAL A 32 3.290 7.229 -7.653 1.00 0.31 H new ATOM 0 HA VAL A 32 0.549 6.647 -7.638 1.00 0.30 H new ATOM 0 HB VAL A 32 2.481 7.857 -5.616 1.00 0.33 H new ATOM 0 HG11 VAL A 32 0.950 7.121 -3.852 1.00 0.42 H new ATOM 0 HG12 VAL A 32 0.219 8.362 -4.896 1.00 0.42 H new ATOM 0 HG13 VAL A 32 -0.246 6.655 -5.084 1.00 0.42 H new ATOM 0 HG21 VAL A 32 2.594 5.500 -4.784 1.00 0.33 H new ATOM 0 HG22 VAL A 32 1.490 4.999 -6.087 1.00 0.33 H new ATOM 0 HG23 VAL A 32 3.111 5.617 -6.483 1.00 0.33 H new ATOM 460 N ASN A 33 -0.844 8.702 -7.436 1.00 0.34 N ATOM 461 CA ASN A 33 -1.671 9.901 -7.492 1.00 0.48 C ATOM 462 C ASN A 33 -2.375 10.098 -6.160 1.00 0.44 C ATOM 463 O ASN A 33 -2.410 11.205 -5.630 1.00 0.74 O ATOM 464 CB ASN A 33 -2.692 9.797 -8.633 1.00 0.79 C ATOM 465 CG ASN A 33 -2.029 10.004 -9.987 1.00 1.23 C ATOM 466 OD1 ASN A 33 -1.214 10.905 -10.150 1.00 2.46 O ATOM 467 ND2 ASN A 33 -2.367 9.206 -10.990 1.00 1.34 N ATOM 0 H ASN A 33 -1.376 7.832 -7.422 1.00 0.34 H new ATOM 0 HA ASN A 33 -1.034 10.764 -7.687 1.00 0.48 H new ATOM 0 HB2 ASN A 33 -3.172 8.819 -8.606 1.00 0.79 H new ATOM 0 HB3 ASN A 33 -3.476 10.541 -8.492 1.00 0.79 H new ATOM 0 HD21 ASN A 33 -1.948 9.338 -11.910 1.00 1.34 H new ATOM 0 HD22 ASN A 33 -3.046 8.460 -10.841 1.00 1.34 H new ATOM 474 N GLN A 34 -2.954 9.025 -5.622 1.00 0.38 N ATOM 475 CA GLN A 34 -3.789 9.081 -4.437 1.00 0.50 C ATOM 476 C GLN A 34 -3.839 7.663 -3.878 1.00 0.46 C ATOM 477 O GLN A 34 -3.649 6.715 -4.628 1.00 0.90 O ATOM 478 CB GLN A 34 -5.161 9.684 -4.799 1.00 0.72 C ATOM 479 CG GLN A 34 -5.831 9.097 -6.058 1.00 1.36 C ATOM 480 CD GLN A 34 -6.477 10.163 -6.938 1.00 0.98 C ATOM 481 OE1 GLN A 34 -7.275 10.965 -6.466 1.00 1.25 O ATOM 482 NE2 GLN A 34 -6.145 10.190 -8.229 1.00 0.94 N ATOM 0 H GLN A 34 -2.851 8.085 -6.006 1.00 0.38 H new ATOM 0 HA GLN A 34 -3.395 9.736 -3.660 1.00 0.50 H new ATOM 0 HB2 GLN A 34 -5.834 9.546 -3.953 1.00 0.72 H new ATOM 0 HB3 GLN A 34 -5.041 10.758 -4.940 1.00 0.72 H new ATOM 0 HG2 GLN A 34 -5.086 8.555 -6.640 1.00 1.36 H new ATOM 0 HG3 GLN A 34 -6.589 8.374 -5.757 1.00 1.36 H new ATOM 0 HE21 GLN A 34 -5.478 9.512 -8.598 1.00 0.94 H new ATOM 0 HE22 GLN A 34 -6.557 10.889 -8.847 1.00 0.94 H new ATOM 491 N VAL A 35 -3.971 7.493 -2.564 1.00 0.30 N ATOM 492 CA VAL A 35 -3.915 6.200 -1.914 1.00 0.31 C ATOM 493 C VAL A 35 -4.925 6.164 -0.777 1.00 0.28 C ATOM 494 O VAL A 35 -5.217 7.212 -0.201 1.00 0.39 O ATOM 495 CB VAL A 35 -2.493 5.957 -1.393 1.00 0.46 C ATOM 496 CG1 VAL A 35 -1.437 6.121 -2.486 1.00 2.23 C ATOM 497 CG2 VAL A 35 -2.088 6.835 -0.201 1.00 1.85 C ATOM 0 H VAL A 35 -4.122 8.267 -1.917 1.00 0.30 H new ATOM 0 HA VAL A 35 -4.164 5.411 -2.623 1.00 0.31 H new ATOM 0 HB VAL A 35 -2.527 4.923 -1.050 1.00 0.46 H new ATOM 0 HG11 VAL A 35 -0.448 5.939 -2.066 1.00 2.23 H new ATOM 0 HG12 VAL A 35 -1.629 5.407 -3.287 1.00 2.23 H new ATOM 0 HG13 VAL A 35 -1.481 7.134 -2.885 1.00 2.23 H new ATOM 0 HG21 VAL A 35 -1.068 6.594 0.099 1.00 1.85 H new ATOM 0 HG22 VAL A 35 -2.143 7.885 -0.487 1.00 1.85 H new ATOM 0 HG23 VAL A 35 -2.765 6.650 0.633 1.00 1.85 H new ATOM 507 N GLN A 36 -5.465 4.983 -0.451 1.00 0.28 N ATOM 508 CA GLN A 36 -6.445 4.840 0.602 1.00 0.39 C ATOM 509 C GLN A 36 -6.215 3.523 1.362 1.00 0.29 C ATOM 510 O GLN A 36 -6.671 2.444 0.973 1.00 0.48 O ATOM 511 CB GLN A 36 -7.840 5.040 0.002 1.00 0.79 C ATOM 512 CG GLN A 36 -8.132 4.033 -1.107 1.00 1.27 C ATOM 513 CD GLN A 36 -9.331 4.410 -1.968 1.00 1.19 C ATOM 514 OE1 GLN A 36 -10.460 4.296 -1.501 1.00 1.77 O ATOM 515 NE2 GLN A 36 -9.134 4.804 -3.226 1.00 1.40 N ATOM 0 H GLN A 36 -5.227 4.108 -0.917 1.00 0.28 H new ATOM 0 HA GLN A 36 -6.343 5.608 1.369 1.00 0.39 H new ATOM 0 HB2 GLN A 36 -8.590 4.943 0.787 1.00 0.79 H new ATOM 0 HB3 GLN A 36 -7.923 6.052 -0.395 1.00 0.79 H new ATOM 0 HG2 GLN A 36 -7.252 3.940 -1.744 1.00 1.27 H new ATOM 0 HG3 GLN A 36 -8.308 3.054 -0.661 1.00 1.27 H new ATOM 0 HE21 GLN A 36 -8.185 4.891 -3.591 1.00 1.40 H new ATOM 0 HE22 GLN A 36 -9.932 5.019 -3.824 1.00 1.40 H new ATOM 524 N VAL A 37 -5.533 3.654 2.495 1.00 0.23 N ATOM 525 CA VAL A 37 -5.235 2.621 3.463 1.00 0.29 C ATOM 526 C VAL A 37 -6.378 2.648 4.469 1.00 0.28 C ATOM 527 O VAL A 37 -6.678 3.685 5.058 1.00 0.45 O ATOM 528 CB VAL A 37 -3.870 2.874 4.163 1.00 0.46 C ATOM 529 CG1 VAL A 37 -2.834 3.507 3.234 1.00 1.53 C ATOM 530 CG2 VAL A 37 -3.892 3.776 5.409 1.00 1.54 C ATOM 0 H VAL A 37 -5.148 4.556 2.775 1.00 0.23 H new ATOM 0 HA VAL A 37 -5.149 1.647 2.982 1.00 0.29 H new ATOM 0 HB VAL A 37 -3.610 1.859 4.463 1.00 0.46 H new ATOM 0 HG11 VAL A 37 -1.902 3.660 3.778 1.00 1.53 H new ATOM 0 HG12 VAL A 37 -2.655 2.847 2.385 1.00 1.53 H new ATOM 0 HG13 VAL A 37 -3.206 4.467 2.875 1.00 1.53 H new ATOM 0 HG21 VAL A 37 -2.881 3.875 5.805 1.00 1.54 H new ATOM 0 HG22 VAL A 37 -4.274 4.761 5.139 1.00 1.54 H new ATOM 0 HG23 VAL A 37 -4.537 3.333 6.168 1.00 1.54 H new ATOM 540 N LEU A 38 -7.057 1.519 4.633 1.00 0.28 N ATOM 541 CA LEU A 38 -8.102 1.361 5.608 1.00 0.33 C ATOM 542 C LEU A 38 -7.554 0.413 6.671 1.00 0.42 C ATOM 543 O LEU A 38 -7.877 -0.778 6.706 1.00 0.60 O ATOM 544 CB LEU A 38 -9.329 0.863 4.854 1.00 0.46 C ATOM 545 CG LEU A 38 -10.510 0.509 5.738 1.00 0.45 C ATOM 546 CD1 LEU A 38 -10.811 1.577 6.790 1.00 0.49 C ATOM 547 CD2 LEU A 38 -11.739 0.250 4.861 1.00 0.48 C ATOM 0 H LEU A 38 -6.886 0.681 4.078 1.00 0.28 H new ATOM 0 HA LEU A 38 -8.407 2.271 6.125 1.00 0.33 H new ATOM 0 HB2 LEU A 38 -9.640 1.630 4.144 1.00 0.46 H new ATOM 0 HB3 LEU A 38 -9.050 -0.016 4.272 1.00 0.46 H new ATOM 0 HG LEU A 38 -10.249 -0.393 6.291 1.00 0.45 H new ATOM 0 HD11 LEU A 38 -11.666 1.266 7.390 1.00 0.49 H new ATOM 0 HD12 LEU A 38 -9.942 1.707 7.435 1.00 0.49 H new ATOM 0 HD13 LEU A 38 -11.040 2.521 6.295 1.00 0.49 H new ATOM 0 HD21 LEU A 38 -12.590 -0.005 5.493 1.00 0.48 H new ATOM 0 HD22 LEU A 38 -11.970 1.146 4.285 1.00 0.48 H new ATOM 0 HD23 LEU A 38 -11.533 -0.576 4.180 1.00 0.48 H new ATOM 559 N PHE A 39 -6.695 0.967 7.530 1.00 0.98 N ATOM 560 CA PHE A 39 -6.268 0.297 8.745 1.00 1.26 C ATOM 561 C PHE A 39 -7.510 0.127 9.630 1.00 1.64 C ATOM 562 O PHE A 39 -7.869 1.010 10.406 1.00 2.86 O ATOM 563 CB PHE A 39 -5.112 1.055 9.421 1.00 2.11 C ATOM 564 CG PHE A 39 -4.938 0.733 10.885 1.00 1.20 C ATOM 565 CD1 PHE A 39 -4.993 -0.608 11.293 1.00 2.66 C ATOM 566 CD2 PHE A 39 -4.897 1.761 11.841 1.00 1.98 C ATOM 567 CE1 PHE A 39 -5.122 -0.923 12.651 1.00 3.48 C ATOM 568 CE2 PHE A 39 -4.975 1.443 13.209 1.00 2.69 C ATOM 569 CZ PHE A 39 -5.093 0.101 13.614 1.00 3.13 C ATOM 0 H PHE A 39 -6.281 1.890 7.397 1.00 0.98 H new ATOM 0 HA PHE A 39 -5.856 -0.690 8.535 1.00 1.26 H new ATOM 0 HB2 PHE A 39 -4.185 0.825 8.896 1.00 2.11 H new ATOM 0 HB3 PHE A 39 -5.282 2.126 9.313 1.00 2.11 H new ATOM 0 HD1 PHE A 39 -4.936 -1.398 10.559 1.00 2.66 H new ATOM 0 HD2 PHE A 39 -4.806 2.790 11.527 1.00 1.98 H new ATOM 0 HE1 PHE A 39 -5.244 -1.951 12.958 1.00 3.48 H new ATOM 0 HE2 PHE A 39 -4.944 2.229 13.949 1.00 2.69 H new ATOM 0 HZ PHE A 39 -5.161 -0.143 14.664 1.00 3.13 H new ATOM 579 N ALA A 40 -8.181 -1.007 9.422 1.00 1.22 N ATOM 580 CA ALA A 40 -9.389 -1.495 10.075 1.00 1.51 C ATOM 581 C ALA A 40 -9.882 -2.718 9.300 1.00 1.23 C ATOM 582 O ALA A 40 -10.287 -3.711 9.898 1.00 1.56 O ATOM 583 CB ALA A 40 -10.501 -0.439 10.121 1.00 1.99 C ATOM 0 H ALA A 40 -7.855 -1.671 8.720 1.00 1.22 H new ATOM 0 HA ALA A 40 -9.145 -1.745 11.108 1.00 1.51 H new ATOM 0 HB1 ALA A 40 -11.378 -0.855 10.618 1.00 1.99 H new ATOM 0 HB2 ALA A 40 -10.151 0.434 10.673 1.00 1.99 H new ATOM 0 HB3 ALA A 40 -10.765 -0.144 9.105 1.00 1.99 H new ATOM 589 N THR A 41 -9.835 -2.641 7.964 1.00 0.86 N ATOM 590 CA THR A 41 -10.341 -3.682 7.072 1.00 0.67 C ATOM 591 C THR A 41 -9.188 -4.421 6.381 1.00 0.49 C ATOM 592 O THR A 41 -9.404 -5.097 5.380 1.00 0.81 O ATOM 593 CB THR A 41 -11.354 -3.077 6.090 1.00 0.70 C ATOM 594 OG1 THR A 41 -12.125 -2.114 6.782 1.00 1.00 O ATOM 595 CG2 THR A 41 -12.331 -4.113 5.517 1.00 1.25 C ATOM 0 H THR A 41 -9.438 -1.842 7.470 1.00 0.86 H new ATOM 0 HA THR A 41 -10.871 -4.438 7.652 1.00 0.67 H new ATOM 0 HB THR A 41 -10.784 -2.653 5.264 1.00 0.70 H new ATOM 0 HG1 THR A 41 -13.020 -2.065 6.386 1.00 1.00 H new ATOM 0 HG21 THR A 41 -13.021 -3.622 4.830 1.00 1.25 H new ATOM 0 HG22 THR A 41 -11.773 -4.882 4.983 1.00 1.25 H new ATOM 0 HG23 THR A 41 -12.894 -4.571 6.330 1.00 1.25 H new ATOM 603 N GLU A 42 -7.967 -4.279 6.911 1.00 0.43 N ATOM 604 CA GLU A 42 -6.750 -4.928 6.448 1.00 0.67 C ATOM 605 C GLU A 42 -6.601 -4.907 4.918 1.00 0.69 C ATOM 606 O GLU A 42 -6.138 -5.877 4.314 1.00 0.97 O ATOM 607 CB GLU A 42 -6.671 -6.338 7.066 1.00 0.97 C ATOM 608 CG GLU A 42 -5.245 -6.689 7.520 1.00 1.87 C ATOM 609 CD GLU A 42 -4.730 -5.847 8.686 1.00 2.83 C ATOM 610 OE1 GLU A 42 -5.531 -5.040 9.209 1.00 3.17 O ATOM 611 OE2 GLU A 42 -3.526 -5.996 8.996 1.00 4.17 O ATOM 0 H GLU A 42 -7.801 -3.675 7.716 1.00 0.43 H new ATOM 0 HA GLU A 42 -5.888 -4.358 6.794 1.00 0.67 H new ATOM 0 HB2 GLU A 42 -7.348 -6.399 7.918 1.00 0.97 H new ATOM 0 HB3 GLU A 42 -7.010 -7.073 6.336 1.00 0.97 H new ATOM 0 HG2 GLU A 42 -5.216 -7.740 7.806 1.00 1.87 H new ATOM 0 HG3 GLU A 42 -4.568 -6.570 6.674 1.00 1.87 H new ATOM 618 N LYS A 43 -6.982 -3.792 4.280 1.00 0.50 N ATOM 619 CA LYS A 43 -7.063 -3.694 2.837 1.00 0.54 C ATOM 620 C LYS A 43 -6.370 -2.414 2.413 1.00 0.48 C ATOM 621 O LYS A 43 -6.664 -1.340 2.951 1.00 0.59 O ATOM 622 CB LYS A 43 -8.509 -3.841 2.333 1.00 0.81 C ATOM 623 CG LYS A 43 -9.385 -2.597 2.506 1.00 1.47 C ATOM 624 CD LYS A 43 -9.340 -1.686 1.264 1.00 0.99 C ATOM 625 CE LYS A 43 -9.545 -0.226 1.682 1.00 0.76 C ATOM 626 NZ LYS A 43 -9.637 0.708 0.542 1.00 1.54 N ATOM 0 H LYS A 43 -7.242 -2.933 4.764 1.00 0.50 H new ATOM 0 HA LYS A 43 -6.542 -4.525 2.362 1.00 0.54 H new ATOM 0 HB2 LYS A 43 -8.484 -4.105 1.276 1.00 0.81 H new ATOM 0 HB3 LYS A 43 -8.978 -4.673 2.858 1.00 0.81 H new ATOM 0 HG2 LYS A 43 -10.414 -2.901 2.696 1.00 1.47 H new ATOM 0 HG3 LYS A 43 -9.052 -2.037 3.380 1.00 1.47 H new ATOM 0 HD2 LYS A 43 -8.382 -1.797 0.755 1.00 0.99 H new ATOM 0 HD3 LYS A 43 -10.114 -1.983 0.556 1.00 0.99 H new ATOM 0 HE2 LYS A 43 -10.456 -0.151 2.276 1.00 0.76 H new ATOM 0 HE3 LYS A 43 -8.719 0.079 2.325 1.00 0.76 H new ATOM 0 HZ1 LYS A 43 -9.775 1.676 0.896 1.00 1.54 H new ATOM 0 HZ2 LYS A 43 -8.759 0.665 -0.014 1.00 1.54 H new ATOM 0 HZ3 LYS A 43 -10.442 0.442 -0.061 1.00 1.54 H new ATOM 640 N LEU A 44 -5.439 -2.535 1.468 1.00 0.39 N ATOM 641 CA LEU A 44 -4.694 -1.453 0.922 1.00 0.40 C ATOM 642 C LEU A 44 -5.219 -1.150 -0.456 1.00 0.33 C ATOM 643 O LEU A 44 -5.501 -2.084 -1.209 1.00 0.39 O ATOM 644 CB LEU A 44 -3.228 -1.906 0.792 1.00 0.50 C ATOM 645 CG LEU A 44 -2.246 -1.030 1.553 1.00 0.71 C ATOM 646 CD1 LEU A 44 -0.991 -0.775 0.721 1.00 0.81 C ATOM 647 CD2 LEU A 44 -2.840 0.329 1.847 1.00 1.09 C ATOM 0 H LEU A 44 -5.189 -3.436 1.060 1.00 0.39 H new ATOM 0 HA LEU A 44 -4.776 -0.572 1.558 1.00 0.40 H new ATOM 0 HB2 LEU A 44 -3.141 -2.931 1.152 1.00 0.50 H new ATOM 0 HB3 LEU A 44 -2.952 -1.914 -0.262 1.00 0.50 H new ATOM 0 HG LEU A 44 -2.011 -1.561 2.476 1.00 0.71 H new ATOM 0 HD11 LEU A 44 -0.302 -0.146 1.285 1.00 0.81 H new ATOM 0 HD12 LEU A 44 -0.509 -1.725 0.490 1.00 0.81 H new ATOM 0 HD13 LEU A 44 -1.265 -0.272 -0.206 1.00 0.81 H new ATOM 0 HD21 LEU A 44 -2.115 0.933 2.392 1.00 1.09 H new ATOM 0 HD22 LEU A 44 -3.095 0.825 0.910 1.00 1.09 H new ATOM 0 HD23 LEU A 44 -3.740 0.210 2.451 1.00 1.09 H new ATOM 659 N VAL A 45 -5.307 0.142 -0.784 1.00 0.30 N ATOM 660 CA VAL A 45 -5.533 0.581 -2.138 1.00 0.29 C ATOM 661 C VAL A 45 -4.628 1.753 -2.480 1.00 0.29 C ATOM 662 O VAL A 45 -4.426 2.644 -1.655 1.00 0.46 O ATOM 663 CB VAL A 45 -7.010 0.923 -2.327 1.00 0.35 C ATOM 664 CG1 VAL A 45 -7.305 1.686 -3.617 1.00 0.66 C ATOM 665 CG2 VAL A 45 -7.783 -0.383 -2.357 1.00 0.74 C ATOM 0 H VAL A 45 -5.222 0.902 -0.109 1.00 0.30 H new ATOM 0 HA VAL A 45 -5.283 -0.225 -2.828 1.00 0.29 H new ATOM 0 HB VAL A 45 -7.304 1.573 -1.503 1.00 0.35 H new ATOM 0 HG11 VAL A 45 -8.373 1.893 -3.681 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -6.753 2.626 -3.618 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -7.000 1.085 -4.473 1.00 0.66 H new ATOM 0 HG21 VAL A 45 -8.844 -0.175 -2.491 1.00 0.74 H new ATOM 0 HG22 VAL A 45 -7.427 -0.998 -3.184 1.00 0.74 H new ATOM 0 HG23 VAL A 45 -7.634 -0.916 -1.418 1.00 0.74 H new ATOM 675 N VAL A 46 -4.111 1.734 -3.708 1.00 0.23 N ATOM 676 CA VAL A 46 -3.287 2.762 -4.300 1.00 0.20 C ATOM 677 C VAL A 46 -3.903 3.084 -5.655 1.00 0.21 C ATOM 678 O VAL A 46 -4.177 2.172 -6.428 1.00 0.35 O ATOM 679 CB VAL A 46 -1.857 2.221 -4.427 1.00 0.29 C ATOM 680 CG1 VAL A 46 -0.970 3.128 -5.290 1.00 0.40 C ATOM 681 CG2 VAL A 46 -1.268 2.053 -3.022 1.00 0.31 C ATOM 0 H VAL A 46 -4.271 0.953 -4.344 1.00 0.23 H new ATOM 0 HA VAL A 46 -3.241 3.671 -3.700 1.00 0.20 H new ATOM 0 HB VAL A 46 -1.892 1.256 -4.933 1.00 0.29 H new ATOM 0 HG11 VAL A 46 0.033 2.705 -5.351 1.00 0.40 H new ATOM 0 HG12 VAL A 46 -1.393 3.205 -6.291 1.00 0.40 H new ATOM 0 HG13 VAL A 46 -0.918 4.120 -4.841 1.00 0.40 H new ATOM 0 HG21 VAL A 46 -0.251 1.669 -3.097 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -1.255 3.018 -2.515 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -1.879 1.353 -2.453 1.00 0.31 H new ATOM 691 N ASP A 47 -4.120 4.362 -5.937 1.00 0.20 N ATOM 692 CA ASP A 47 -4.636 4.868 -7.192 1.00 0.22 C ATOM 693 C ASP A 47 -3.471 5.593 -7.885 1.00 0.23 C ATOM 694 O ASP A 47 -2.920 6.569 -7.357 1.00 0.27 O ATOM 695 CB ASP A 47 -5.848 5.764 -6.909 1.00 0.35 C ATOM 696 CG ASP A 47 -7.048 5.008 -6.333 1.00 1.37 C ATOM 697 OD1 ASP A 47 -7.855 4.527 -7.155 1.00 1.88 O ATOM 698 OD2 ASP A 47 -7.160 4.926 -5.083 1.00 2.73 O ATOM 0 H ASP A 47 -3.931 5.104 -5.263 1.00 0.20 H new ATOM 0 HA ASP A 47 -4.995 4.084 -7.858 1.00 0.22 H new ATOM 0 HB2 ASP A 47 -5.554 6.548 -6.211 1.00 0.35 H new ATOM 0 HB3 ASP A 47 -6.149 6.256 -7.834 1.00 0.35 H new ATOM 703 N ALA A 48 -3.035 5.068 -9.035 1.00 0.32 N ATOM 704 CA ALA A 48 -1.842 5.536 -9.736 1.00 0.40 C ATOM 705 C ALA A 48 -1.977 5.251 -11.226 1.00 0.47 C ATOM 706 O ALA A 48 -2.593 4.261 -11.623 1.00 0.64 O ATOM 707 CB ALA A 48 -0.572 4.872 -9.182 1.00 0.46 C ATOM 0 H ALA A 48 -3.508 4.298 -9.508 1.00 0.32 H new ATOM 0 HA ALA A 48 -1.752 6.611 -9.578 1.00 0.40 H new ATOM 0 HB1 ALA A 48 0.298 5.241 -9.725 1.00 0.46 H new ATOM 0 HB2 ALA A 48 -0.468 5.112 -8.124 1.00 0.46 H new ATOM 0 HB3 ALA A 48 -0.644 3.791 -9.304 1.00 0.46 H new ATOM 713 N ASP A 49 -1.359 6.084 -12.058 1.00 0.56 N ATOM 714 CA ASP A 49 -1.643 6.068 -13.488 1.00 0.78 C ATOM 715 C ASP A 49 -0.420 5.535 -14.228 1.00 0.75 C ATOM 716 O ASP A 49 0.113 6.167 -15.136 1.00 1.02 O ATOM 717 CB ASP A 49 -2.061 7.474 -13.929 1.00 1.10 C ATOM 718 CG ASP A 49 -3.471 7.851 -13.467 1.00 1.27 C ATOM 719 OD1 ASP A 49 -3.843 7.479 -12.327 1.00 2.44 O ATOM 720 OD2 ASP A 49 -4.156 8.528 -14.260 1.00 1.82 O ATOM 0 H ASP A 49 -0.664 6.773 -11.769 1.00 0.56 H new ATOM 0 HA ASP A 49 -2.473 5.403 -13.726 1.00 0.78 H new ATOM 0 HB2 ASP A 49 -1.349 8.199 -13.535 1.00 1.10 H new ATOM 0 HB3 ASP A 49 -2.012 7.538 -15.016 1.00 1.10 H new ATOM 725 N ASN A 50 0.004 4.333 -13.829 1.00 0.50 N ATOM 726 CA ASN A 50 1.195 3.675 -14.373 1.00 0.52 C ATOM 727 C ASN A 50 1.341 2.205 -13.949 1.00 0.85 C ATOM 728 O ASN A 50 1.840 1.412 -14.741 1.00 2.79 O ATOM 729 CB ASN A 50 2.460 4.486 -14.040 1.00 0.52 C ATOM 730 CG ASN A 50 2.433 5.047 -12.626 1.00 0.88 C ATOM 731 OD1 ASN A 50 2.225 6.236 -12.426 1.00 2.31 O ATOM 732 ND2 ASN A 50 2.611 4.197 -11.623 1.00 0.64 N ATOM 0 H ASN A 50 -0.473 3.785 -13.114 1.00 0.50 H new ATOM 0 HA ASN A 50 1.064 3.651 -15.455 1.00 0.52 H new ATOM 0 HB2 ASN A 50 3.338 3.851 -14.159 1.00 0.52 H new ATOM 0 HB3 ASN A 50 2.561 5.306 -14.751 1.00 0.52 H new ATOM 0 HD21 ASN A 50 2.576 4.530 -10.660 1.00 0.64 H new ATOM 0 HD22 ASN A 50 2.783 3.210 -11.815 1.00 0.64 H new ATOM 739 N ASP A 51 0.938 1.858 -12.718 1.00 1.18 N ATOM 740 CA ASP A 51 1.154 0.584 -12.029 1.00 1.06 C ATOM 741 C ASP A 51 2.563 0.559 -11.461 1.00 0.72 C ATOM 742 O ASP A 51 3.535 0.816 -12.167 1.00 0.87 O ATOM 743 CB ASP A 51 0.832 -0.690 -12.828 1.00 1.39 C ATOM 744 CG ASP A 51 0.874 -1.935 -11.931 1.00 2.35 C ATOM 745 OD1 ASP A 51 1.886 -2.116 -11.214 1.00 3.13 O ATOM 746 OD2 ASP A 51 -0.125 -2.691 -11.921 1.00 3.51 O ATOM 0 H ASP A 51 0.413 2.512 -12.137 1.00 1.18 H new ATOM 0 HA ASP A 51 0.414 0.551 -11.230 1.00 1.06 H new ATOM 0 HB2 ASP A 51 -0.155 -0.598 -13.281 1.00 1.39 H new ATOM 0 HB3 ASP A 51 1.547 -0.802 -13.643 1.00 1.39 H new ATOM 751 N ILE A 52 2.637 0.326 -10.153 1.00 0.48 N ATOM 752 CA ILE A 52 3.863 0.194 -9.398 1.00 0.29 C ATOM 753 C ILE A 52 3.616 -0.825 -8.281 1.00 0.26 C ATOM 754 O ILE A 52 4.166 -0.697 -7.190 1.00 0.27 O ATOM 755 CB ILE A 52 4.324 1.593 -8.911 1.00 0.33 C ATOM 756 CG1 ILE A 52 3.189 2.585 -8.585 1.00 0.42 C ATOM 757 CG2 ILE A 52 5.163 2.260 -10.005 1.00 0.45 C ATOM 758 CD1 ILE A 52 2.412 2.279 -7.310 1.00 0.64 C ATOM 0 H ILE A 52 1.804 0.221 -9.573 1.00 0.48 H new ATOM 0 HA ILE A 52 4.688 -0.186 -10.001 1.00 0.29 H new ATOM 0 HB ILE A 52 4.871 1.393 -7.990 1.00 0.33 H new ATOM 0 HG12 ILE A 52 3.614 3.585 -8.502 1.00 0.42 H new ATOM 0 HG13 ILE A 52 2.491 2.603 -9.422 1.00 0.42 H new ATOM 0 HG21 ILE A 52 5.488 3.243 -9.665 1.00 0.45 H new ATOM 0 HG22 ILE A 52 6.036 1.644 -10.221 1.00 0.45 H new ATOM 0 HG23 ILE A 52 4.563 2.368 -10.908 1.00 0.45 H new ATOM 0 HD11 ILE A 52 1.637 3.032 -7.167 1.00 0.64 H new ATOM 0 HD12 ILE A 52 1.952 1.294 -7.392 1.00 0.64 H new ATOM 0 HD13 ILE A 52 3.092 2.292 -6.458 1.00 0.64 H new ATOM 770 N ARG A 53 2.791 -1.854 -8.530 1.00 0.26 N ATOM 771 CA ARG A 53 2.367 -2.746 -7.443 1.00 0.30 C ATOM 772 C ARG A 53 3.548 -3.458 -6.818 1.00 0.25 C ATOM 773 O ARG A 53 3.662 -3.507 -5.597 1.00 0.29 O ATOM 774 CB ARG A 53 1.348 -3.792 -7.886 1.00 0.35 C ATOM 775 CG ARG A 53 0.168 -3.084 -8.522 1.00 0.43 C ATOM 776 CD ARG A 53 -1.084 -3.949 -8.615 1.00 0.61 C ATOM 777 NE ARG A 53 -0.830 -5.368 -8.896 1.00 0.69 N ATOM 778 CZ ARG A 53 -0.776 -5.924 -10.117 1.00 1.41 C ATOM 779 NH1 ARG A 53 -0.686 -5.167 -11.221 1.00 2.45 N ATOM 780 NH2 ARG A 53 -0.822 -7.259 -10.218 1.00 1.83 N ATOM 0 H ARG A 53 2.413 -2.084 -9.449 1.00 0.26 H new ATOM 0 HA ARG A 53 1.891 -2.095 -6.710 1.00 0.30 H new ATOM 0 HB2 ARG A 53 1.801 -4.483 -8.596 1.00 0.35 H new ATOM 0 HB3 ARG A 53 1.018 -4.383 -7.032 1.00 0.35 H new ATOM 0 HG2 ARG A 53 -0.061 -2.188 -7.945 1.00 0.43 H new ATOM 0 HG3 ARG A 53 0.448 -2.756 -9.523 1.00 0.43 H new ATOM 0 HD2 ARG A 53 -1.633 -3.871 -7.677 1.00 0.61 H new ATOM 0 HD3 ARG A 53 -1.729 -3.548 -9.397 1.00 0.61 H new ATOM 0 HE ARG A 53 -0.682 -5.983 -8.096 1.00 0.69 H new ATOM 0 HH11 ARG A 53 -0.657 -4.151 -11.141 1.00 2.45 H new ATOM 0 HH12 ARG A 53 -0.646 -5.608 -12.140 1.00 2.45 H new ATOM 0 HH21 ARG A 53 -0.897 -7.832 -9.377 1.00 1.83 H new ATOM 0 HH22 ARG A 53 -0.782 -7.703 -11.136 1.00 1.83 H new ATOM 794 N ALA A 54 4.435 -3.982 -7.662 1.00 0.23 N ATOM 795 CA ALA A 54 5.668 -4.602 -7.215 1.00 0.23 C ATOM 796 C ALA A 54 6.489 -3.610 -6.395 1.00 0.20 C ATOM 797 O ALA A 54 7.185 -3.996 -5.457 1.00 0.20 O ATOM 798 CB ALA A 54 6.467 -5.068 -8.430 1.00 0.29 C ATOM 0 H ALA A 54 4.313 -3.986 -8.675 1.00 0.23 H new ATOM 0 HA ALA A 54 5.433 -5.460 -6.585 1.00 0.23 H new ATOM 0 HB1 ALA A 54 7.395 -5.535 -8.098 1.00 0.29 H new ATOM 0 HB2 ALA A 54 5.880 -5.791 -8.996 1.00 0.29 H new ATOM 0 HB3 ALA A 54 6.698 -4.212 -9.064 1.00 0.29 H new ATOM 804 N GLN A 55 6.411 -2.322 -6.748 1.00 0.20 N ATOM 805 CA GLN A 55 7.194 -1.314 -6.067 1.00 0.21 C ATOM 806 C GLN A 55 6.605 -1.083 -4.682 1.00 0.21 C ATOM 807 O GLN A 55 7.334 -1.060 -3.687 1.00 0.25 O ATOM 808 CB GLN A 55 7.262 -0.025 -6.904 1.00 0.27 C ATOM 809 CG GLN A 55 8.699 0.462 -7.137 1.00 0.41 C ATOM 810 CD GLN A 55 9.270 -0.093 -8.438 1.00 1.50 C ATOM 811 OE1 GLN A 55 9.530 -1.285 -8.551 1.00 3.19 O ATOM 812 NE2 GLN A 55 9.459 0.765 -9.438 1.00 1.13 N ATOM 0 H GLN A 55 5.816 -1.966 -7.496 1.00 0.20 H new ATOM 0 HA GLN A 55 8.222 -1.655 -5.945 1.00 0.21 H new ATOM 0 HB2 GLN A 55 6.782 -0.198 -7.867 1.00 0.27 H new ATOM 0 HB3 GLN A 55 6.695 0.759 -6.401 1.00 0.27 H new ATOM 0 HG2 GLN A 55 8.715 1.551 -7.166 1.00 0.41 H new ATOM 0 HG3 GLN A 55 9.329 0.156 -6.302 1.00 0.41 H new ATOM 0 HE21 GLN A 55 9.233 1.752 -9.313 1.00 1.13 H new ATOM 0 HE22 GLN A 55 9.830 0.436 -10.329 1.00 1.13 H new ATOM 821 N VAL A 56 5.280 -0.936 -4.613 1.00 0.20 N ATOM 822 CA VAL A 56 4.640 -0.693 -3.344 1.00 0.19 C ATOM 823 C VAL A 56 4.842 -1.918 -2.459 1.00 0.19 C ATOM 824 O VAL A 56 5.237 -1.778 -1.303 1.00 0.21 O ATOM 825 CB VAL A 56 3.158 -0.435 -3.574 1.00 0.22 C ATOM 826 CG1 VAL A 56 2.440 -0.430 -2.221 1.00 0.36 C ATOM 827 CG2 VAL A 56 2.978 0.901 -4.287 1.00 0.35 C ATOM 0 H VAL A 56 4.649 -0.982 -5.413 1.00 0.20 H new ATOM 0 HA VAL A 56 5.072 0.179 -2.854 1.00 0.19 H new ATOM 0 HB VAL A 56 2.731 -1.219 -4.200 1.00 0.22 H new ATOM 0 HG11 VAL A 56 1.377 -0.246 -2.374 1.00 0.36 H new ATOM 0 HG12 VAL A 56 2.575 -1.396 -1.734 1.00 0.36 H new ATOM 0 HG13 VAL A 56 2.857 0.355 -1.591 1.00 0.36 H new ATOM 0 HG21 VAL A 56 1.916 1.085 -4.452 1.00 0.35 H new ATOM 0 HG22 VAL A 56 3.394 1.700 -3.673 1.00 0.35 H new ATOM 0 HG23 VAL A 56 3.495 0.874 -5.246 1.00 0.35 H new ATOM 837 N GLU A 57 4.584 -3.115 -3.004 1.00 0.20 N ATOM 838 CA GLU A 57 4.931 -4.345 -2.316 1.00 0.23 C ATOM 839 C GLU A 57 6.342 -4.255 -1.774 1.00 0.25 C ATOM 840 O GLU A 57 6.483 -4.327 -0.568 1.00 0.29 O ATOM 841 CB GLU A 57 4.788 -5.578 -3.202 1.00 0.40 C ATOM 842 CG GLU A 57 5.350 -6.793 -2.445 1.00 0.52 C ATOM 843 CD GLU A 57 5.123 -8.125 -3.125 1.00 1.13 C ATOM 844 OE1 GLU A 57 4.448 -8.139 -4.175 1.00 2.11 O ATOM 845 OE2 GLU A 57 5.658 -9.098 -2.548 1.00 2.40 O ATOM 0 H GLU A 57 4.139 -3.247 -3.912 1.00 0.20 H new ATOM 0 HA GLU A 57 4.225 -4.461 -1.494 1.00 0.23 H new ATOM 0 HB2 GLU A 57 3.741 -5.742 -3.456 1.00 0.40 H new ATOM 0 HB3 GLU A 57 5.325 -5.435 -4.140 1.00 0.40 H new ATOM 0 HG2 GLU A 57 6.421 -6.651 -2.303 1.00 0.52 H new ATOM 0 HG3 GLU A 57 4.899 -6.826 -1.453 1.00 0.52 H new ATOM 852 N SER A 58 7.369 -4.091 -2.612 1.00 0.25 N ATOM 853 CA SER A 58 8.754 -4.074 -2.146 1.00 0.28 C ATOM 854 C SER A 58 8.899 -3.182 -0.904 1.00 0.26 C ATOM 855 O SER A 58 9.457 -3.586 0.122 1.00 0.28 O ATOM 856 CB SER A 58 9.668 -3.630 -3.296 1.00 0.33 C ATOM 857 OG SER A 58 11.029 -3.781 -2.939 1.00 0.59 O ATOM 0 H SER A 58 7.265 -3.968 -3.619 1.00 0.25 H new ATOM 0 HA SER A 58 9.055 -5.077 -1.843 1.00 0.28 H new ATOM 0 HB2 SER A 58 9.453 -4.220 -4.187 1.00 0.33 H new ATOM 0 HB3 SER A 58 9.466 -2.589 -3.547 1.00 0.33 H new ATOM 0 HG SER A 58 11.597 -3.495 -3.685 1.00 0.59 H new ATOM 863 N ALA A 59 8.314 -1.984 -0.973 1.00 0.25 N ATOM 864 CA ALA A 59 8.317 -1.050 0.140 1.00 0.26 C ATOM 865 C ALA A 59 7.635 -1.621 1.390 1.00 0.25 C ATOM 866 O ALA A 59 8.183 -1.534 2.485 1.00 0.29 O ATOM 867 CB ALA A 59 7.639 0.245 -0.293 1.00 0.29 C ATOM 0 H ALA A 59 7.828 -1.641 -1.802 1.00 0.25 H new ATOM 0 HA ALA A 59 9.354 -0.857 0.414 1.00 0.26 H new ATOM 0 HB1 ALA A 59 7.638 0.951 0.538 1.00 0.29 H new ATOM 0 HB2 ALA A 59 8.182 0.676 -1.134 1.00 0.29 H new ATOM 0 HB3 ALA A 59 6.612 0.036 -0.593 1.00 0.29 H new ATOM 873 N LEU A 60 6.430 -2.175 1.255 1.00 0.24 N ATOM 874 CA LEU A 60 5.635 -2.695 2.364 1.00 0.26 C ATOM 875 C LEU A 60 6.260 -3.957 2.965 1.00 0.30 C ATOM 876 O LEU A 60 6.313 -4.127 4.186 1.00 0.38 O ATOM 877 CB LEU A 60 4.218 -2.965 1.854 1.00 0.21 C ATOM 878 CG LEU A 60 3.456 -1.683 1.521 1.00 0.38 C ATOM 879 CD1 LEU A 60 2.190 -2.022 0.741 1.00 0.99 C ATOM 880 CD2 LEU A 60 3.060 -0.882 2.763 1.00 1.03 C ATOM 0 H LEU A 60 5.970 -2.276 0.350 1.00 0.24 H new ATOM 0 HA LEU A 60 5.605 -1.957 3.166 1.00 0.26 H new ATOM 0 HB2 LEU A 60 4.270 -3.593 0.965 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.666 -3.525 2.608 1.00 0.21 H new ATOM 0 HG LEU A 60 4.132 -1.067 0.928 1.00 0.38 H new ATOM 0 HD11 LEU A 60 1.651 -1.104 0.506 1.00 0.99 H new ATOM 0 HD12 LEU A 60 2.458 -2.532 -0.184 1.00 0.99 H new ATOM 0 HD13 LEU A 60 1.555 -2.672 1.343 1.00 0.99 H new ATOM 0 HD21 LEU A 60 2.522 0.016 2.460 1.00 1.03 H new ATOM 0 HD22 LEU A 60 2.419 -1.491 3.400 1.00 1.03 H new ATOM 0 HD23 LEU A 60 3.957 -0.600 3.315 1.00 1.03 H new ATOM 892 N GLN A 61 6.770 -4.823 2.091 1.00 0.27 N ATOM 893 CA GLN A 61 7.603 -5.963 2.444 1.00 0.35 C ATOM 894 C GLN A 61 8.717 -5.462 3.368 1.00 0.33 C ATOM 895 O GLN A 61 8.892 -5.991 4.465 1.00 0.42 O ATOM 896 CB GLN A 61 8.159 -6.641 1.168 1.00 0.43 C ATOM 897 CG GLN A 61 7.964 -8.165 1.061 1.00 0.77 C ATOM 898 CD GLN A 61 6.518 -8.652 1.199 1.00 1.12 C ATOM 899 OE1 GLN A 61 6.067 -8.901 2.311 1.00 2.96 O ATOM 900 NE2 GLN A 61 5.774 -8.866 0.116 1.00 0.67 N ATOM 0 H GLN A 61 6.608 -4.745 1.087 1.00 0.27 H new ATOM 0 HA GLN A 61 7.022 -6.723 2.967 1.00 0.35 H new ATOM 0 HB2 GLN A 61 7.690 -6.175 0.302 1.00 0.43 H new ATOM 0 HB3 GLN A 61 9.226 -6.428 1.105 1.00 0.43 H new ATOM 0 HG2 GLN A 61 8.351 -8.497 0.098 1.00 0.77 H new ATOM 0 HG3 GLN A 61 8.567 -8.647 1.831 1.00 0.77 H new ATOM 0 HE21 GLN A 61 6.149 -8.659 -0.810 1.00 0.67 H new ATOM 0 HE22 GLN A 61 4.829 -9.237 0.212 1.00 0.67 H new ATOM 909 N LYS A 62 9.436 -4.406 2.961 1.00 0.32 N ATOM 910 CA LYS A 62 10.469 -3.826 3.808 1.00 0.43 C ATOM 911 C LYS A 62 9.880 -3.229 5.094 1.00 0.51 C ATOM 912 O LYS A 62 10.473 -3.371 6.161 1.00 0.61 O ATOM 913 CB LYS A 62 11.288 -2.784 3.036 1.00 0.59 C ATOM 914 CG LYS A 62 12.484 -2.292 3.868 1.00 1.61 C ATOM 915 CD LYS A 62 13.210 -1.167 3.122 1.00 1.81 C ATOM 916 CE LYS A 62 14.391 -0.592 3.920 1.00 3.11 C ATOM 917 NZ LYS A 62 13.976 0.006 5.208 1.00 4.29 N ATOM 0 H LYS A 62 9.318 -3.945 2.059 1.00 0.32 H new ATOM 0 HA LYS A 62 11.141 -4.631 4.105 1.00 0.43 H new ATOM 0 HB2 LYS A 62 11.645 -3.217 2.102 1.00 0.59 H new ATOM 0 HB3 LYS A 62 10.652 -1.939 2.773 1.00 0.59 H new ATOM 0 HG2 LYS A 62 12.140 -1.934 4.839 1.00 1.61 H new ATOM 0 HG3 LYS A 62 13.171 -3.117 4.057 1.00 1.61 H new ATOM 0 HD2 LYS A 62 13.573 -1.545 2.166 1.00 1.81 H new ATOM 0 HD3 LYS A 62 12.503 -0.368 2.901 1.00 1.81 H new ATOM 0 HE2 LYS A 62 15.116 -1.384 4.109 1.00 3.11 H new ATOM 0 HE3 LYS A 62 14.895 0.165 3.319 1.00 3.11 H new ATOM 0 HZ1 LYS A 62 14.785 0.496 5.640 1.00 4.29 H new ATOM 0 HZ2 LYS A 62 13.207 0.687 5.043 1.00 4.29 H new ATOM 0 HZ3 LYS A 62 13.644 -0.744 5.848 1.00 4.29 H new ATOM 931 N ALA A 63 8.757 -2.508 4.992 1.00 0.51 N ATOM 932 CA ALA A 63 8.085 -1.885 6.130 1.00 0.64 C ATOM 933 C ALA A 63 7.790 -2.921 7.215 1.00 0.63 C ATOM 934 O ALA A 63 7.882 -2.614 8.401 1.00 0.74 O ATOM 935 CB ALA A 63 6.800 -1.180 5.685 1.00 0.75 C ATOM 0 H ALA A 63 8.286 -2.341 4.103 1.00 0.51 H new ATOM 0 HA ALA A 63 8.753 -1.133 6.550 1.00 0.64 H new ATOM 0 HB1 ALA A 63 6.317 -0.724 6.549 1.00 0.75 H new ATOM 0 HB2 ALA A 63 7.043 -0.408 4.955 1.00 0.75 H new ATOM 0 HB3 ALA A 63 6.124 -1.906 5.233 1.00 0.75 H new ATOM 941 N GLY A 64 7.467 -4.144 6.792 1.00 0.56 N ATOM 942 CA GLY A 64 7.441 -5.318 7.648 1.00 0.59 C ATOM 943 C GLY A 64 6.034 -5.884 7.757 1.00 0.66 C ATOM 944 O GLY A 64 5.601 -6.240 8.851 1.00 0.86 O ATOM 0 H GLY A 64 7.212 -4.344 5.825 1.00 0.56 H new ATOM 0 HA2 GLY A 64 8.112 -6.078 7.249 1.00 0.59 H new ATOM 0 HA3 GLY A 64 7.809 -5.057 8.640 1.00 0.59 H new ATOM 948 N TYR A 65 5.328 -5.986 6.627 1.00 0.56 N ATOM 949 CA TYR A 65 4.027 -6.632 6.559 1.00 0.65 C ATOM 950 C TYR A 65 4.028 -7.555 5.351 1.00 0.51 C ATOM 951 O TYR A 65 4.482 -7.150 4.283 1.00 0.90 O ATOM 952 CB TYR A 65 2.911 -5.592 6.405 1.00 0.86 C ATOM 953 CG TYR A 65 3.060 -4.345 7.249 1.00 0.90 C ATOM 954 CD1 TYR A 65 2.966 -4.424 8.649 1.00 2.45 C ATOM 955 CD2 TYR A 65 3.323 -3.108 6.631 1.00 1.49 C ATOM 956 CE1 TYR A 65 3.117 -3.266 9.429 1.00 2.48 C ATOM 957 CE2 TYR A 65 3.449 -1.946 7.409 1.00 1.54 C ATOM 958 CZ TYR A 65 3.340 -2.026 8.808 1.00 1.05 C ATOM 959 OH TYR A 65 3.433 -0.893 9.558 1.00 1.18 O ATOM 0 H TYR A 65 5.651 -5.618 5.732 1.00 0.56 H new ATOM 0 HA TYR A 65 3.846 -7.190 7.478 1.00 0.65 H new ATOM 0 HB2 TYR A 65 2.857 -5.296 5.357 1.00 0.86 H new ATOM 0 HB3 TYR A 65 1.961 -6.065 6.652 1.00 0.86 H new ATOM 0 HD1 TYR A 65 2.778 -5.375 9.125 1.00 2.45 H new ATOM 0 HD2 TYR A 65 3.428 -3.053 5.558 1.00 1.49 H new ATOM 0 HE1 TYR A 65 3.062 -3.329 10.506 1.00 2.48 H new ATOM 0 HE2 TYR A 65 3.629 -0.993 6.934 1.00 1.54 H new ATOM 0 HH TYR A 65 3.589 -0.124 8.971 1.00 1.18 H new ATOM 969 N SER A 66 3.495 -8.768 5.499 1.00 0.70 N ATOM 970 CA SER A 66 3.323 -9.665 4.373 1.00 0.60 C ATOM 971 C SER A 66 2.024 -9.285 3.676 1.00 0.53 C ATOM 972 O SER A 66 0.965 -9.367 4.298 1.00 0.80 O ATOM 973 CB SER A 66 3.276 -11.114 4.861 1.00 0.78 C ATOM 974 OG SER A 66 4.394 -11.377 5.684 1.00 1.86 O ATOM 0 H SER A 66 3.177 -9.146 6.392 1.00 0.70 H new ATOM 0 HA SER A 66 4.158 -9.579 3.677 1.00 0.60 H new ATOM 0 HB2 SER A 66 2.355 -11.291 5.416 1.00 0.78 H new ATOM 0 HB3 SER A 66 3.271 -11.794 4.009 1.00 0.78 H new ATOM 0 HG SER A 66 4.359 -12.305 5.996 1.00 1.86 H new ATOM 980 N LEU A 67 2.103 -8.876 2.407 1.00 0.38 N ATOM 981 CA LEU A 67 0.930 -8.700 1.571 1.00 0.37 C ATOM 982 C LEU A 67 0.860 -9.761 0.486 1.00 0.36 C ATOM 983 O LEU A 67 1.777 -10.568 0.331 1.00 0.41 O ATOM 984 CB LEU A 67 0.840 -7.270 1.015 1.00 0.35 C ATOM 985 CG LEU A 67 1.968 -6.789 0.101 1.00 0.42 C ATOM 986 CD1 LEU A 67 1.916 -7.463 -1.274 1.00 0.86 C ATOM 987 CD2 LEU A 67 1.760 -5.277 -0.018 1.00 0.79 C ATOM 0 H LEU A 67 2.983 -8.660 1.938 1.00 0.38 H new ATOM 0 HA LEU A 67 0.049 -8.839 2.197 1.00 0.37 H new ATOM 0 HB2 LEU A 67 -0.097 -7.183 0.465 1.00 0.35 H new ATOM 0 HB3 LEU A 67 0.779 -6.585 1.861 1.00 0.35 H new ATOM 0 HG LEU A 67 2.947 -7.041 0.508 1.00 0.42 H new ATOM 0 HD11 LEU A 67 2.734 -7.093 -1.892 1.00 0.86 H new ATOM 0 HD12 LEU A 67 2.011 -8.542 -1.154 1.00 0.86 H new ATOM 0 HD13 LEU A 67 0.966 -7.234 -1.756 1.00 0.86 H new ATOM 0 HD21 LEU A 67 2.532 -4.853 -0.660 1.00 0.79 H new ATOM 0 HD22 LEU A 67 0.779 -5.078 -0.449 1.00 0.79 H new ATOM 0 HD23 LEU A 67 1.821 -4.822 0.971 1.00 0.79 H new ATOM 999 N ARG A 68 -0.237 -9.736 -0.268 1.00 0.43 N ATOM 1000 CA ARG A 68 -0.379 -10.409 -1.541 1.00 0.50 C ATOM 1001 C ARG A 68 -0.885 -9.347 -2.503 1.00 0.59 C ATOM 1002 O ARG A 68 -1.751 -8.549 -2.125 1.00 0.98 O ATOM 1003 CB ARG A 68 -1.375 -11.560 -1.417 1.00 0.64 C ATOM 1004 CG ARG A 68 -0.878 -12.548 -0.354 1.00 0.49 C ATOM 1005 CD ARG A 68 -1.602 -13.896 -0.410 1.00 1.09 C ATOM 1006 NE ARG A 68 -1.002 -14.830 0.557 1.00 1.60 N ATOM 1007 CZ ARG A 68 -1.367 -16.111 0.732 1.00 2.65 C ATOM 1008 NH1 ARG A 68 -2.366 -16.622 0.006 1.00 3.42 N ATOM 1009 NH2 ARG A 68 -0.731 -16.871 1.631 1.00 3.40 N ATOM 0 H ARG A 68 -1.077 -9.226 0.007 1.00 0.43 H new ATOM 0 HA ARG A 68 0.559 -10.843 -1.888 1.00 0.50 H new ATOM 0 HB2 ARG A 68 -2.358 -11.177 -1.143 1.00 0.64 H new ATOM 0 HB3 ARG A 68 -1.486 -12.065 -2.376 1.00 0.64 H new ATOM 0 HG2 ARG A 68 0.192 -12.710 -0.487 1.00 0.49 H new ATOM 0 HG3 ARG A 68 -1.013 -12.109 0.635 1.00 0.49 H new ATOM 0 HD2 ARG A 68 -2.660 -13.759 -0.188 1.00 1.09 H new ATOM 0 HD3 ARG A 68 -1.539 -14.311 -1.416 1.00 1.09 H new ATOM 0 HE ARG A 68 -0.246 -14.475 1.143 1.00 1.60 H new ATOM 0 HH11 ARG A 68 -2.849 -16.040 -0.678 1.00 3.42 H new ATOM 0 HH12 ARG A 68 -2.646 -17.594 0.136 1.00 3.42 H new ATOM 0 HH21 ARG A 68 0.031 -16.478 2.183 1.00 3.40 H new ATOM 0 HH22 ARG A 68 -1.008 -17.844 1.764 1.00 3.40 H new ATOM 1023 N ASP A 69 -0.313 -9.304 -3.704 1.00 0.47 N ATOM 1024 CA ASP A 69 -0.675 -8.353 -4.715 1.00 0.53 C ATOM 1025 C ASP A 69 -2.028 -8.770 -5.245 1.00 0.50 C ATOM 1026 O ASP A 69 -2.209 -9.892 -5.717 1.00 0.74 O ATOM 1027 CB ASP A 69 0.369 -8.334 -5.831 1.00 0.74 C ATOM 1028 CG ASP A 69 0.509 -9.668 -6.552 1.00 1.59 C ATOM 1029 OD1 ASP A 69 0.771 -10.663 -5.835 1.00 2.97 O ATOM 1030 OD2 ASP A 69 0.343 -9.648 -7.795 1.00 2.58 O ATOM 0 H ASP A 69 0.426 -9.946 -3.992 1.00 0.47 H new ATOM 0 HA ASP A 69 -0.719 -7.344 -4.305 1.00 0.53 H new ATOM 0 HB2 ASP A 69 0.102 -7.564 -6.555 1.00 0.74 H new ATOM 0 HB3 ASP A 69 1.335 -8.054 -5.410 1.00 0.74 H new ATOM 1035 N GLU A 70 -2.996 -7.874 -5.109 1.00 0.46 N ATOM 1036 CA GLU A 70 -4.314 -8.138 -5.635 1.00 0.59 C ATOM 1037 C GLU A 70 -4.449 -7.679 -7.080 1.00 0.69 C ATOM 1038 O GLU A 70 -3.543 -7.083 -7.671 1.00 0.78 O ATOM 1039 CB GLU A 70 -5.422 -7.563 -4.745 1.00 0.73 C ATOM 1040 CG GLU A 70 -6.078 -8.661 -3.922 1.00 0.63 C ATOM 1041 CD GLU A 70 -6.892 -9.686 -4.701 1.00 1.71 C ATOM 1042 OE1 GLU A 70 -7.072 -9.484 -5.918 1.00 2.66 O ATOM 1043 OE2 GLU A 70 -7.280 -10.686 -4.053 1.00 2.85 O ATOM 0 H GLU A 70 -2.890 -6.972 -4.645 1.00 0.46 H new ATOM 0 HA GLU A 70 -4.442 -9.220 -5.629 1.00 0.59 H new ATOM 0 HB2 GLU A 70 -5.005 -6.805 -4.082 1.00 0.73 H new ATOM 0 HB3 GLU A 70 -6.171 -7.069 -5.363 1.00 0.73 H new ATOM 0 HG2 GLU A 70 -5.299 -9.188 -3.371 1.00 0.63 H new ATOM 0 HG3 GLU A 70 -6.730 -8.194 -3.184 1.00 0.63 H new ATOM 1050 N GLN A 71 -5.635 -7.948 -7.620 1.00 0.74 N ATOM 1051 CA GLN A 71 -6.125 -7.358 -8.845 1.00 0.77 C ATOM 1052 C GLN A 71 -6.120 -5.827 -8.757 1.00 0.80 C ATOM 1053 O GLN A 71 -6.000 -5.229 -7.681 1.00 0.91 O ATOM 1054 CB GLN A 71 -7.508 -7.947 -9.180 1.00 0.86 C ATOM 1055 CG GLN A 71 -8.629 -7.665 -8.160 1.00 1.68 C ATOM 1056 CD GLN A 71 -9.243 -6.282 -8.330 1.00 3.43 C ATOM 1057 OE1 GLN A 71 -9.952 -6.025 -9.291 1.00 4.37 O ATOM 1058 NE2 GLN A 71 -8.969 -5.353 -7.424 1.00 4.35 N ATOM 0 H GLN A 71 -6.294 -8.602 -7.199 1.00 0.74 H new ATOM 0 HA GLN A 71 -5.458 -7.607 -9.670 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -7.821 -7.559 -10.150 1.00 0.86 H new ATOM 0 HB3 GLN A 71 -7.405 -9.027 -9.287 1.00 0.86 H new ATOM 0 HG2 GLN A 71 -9.409 -8.420 -8.265 1.00 1.68 H new ATOM 0 HG3 GLN A 71 -8.228 -7.759 -7.151 1.00 1.68 H new ATOM 0 HE21 GLN A 71 -8.376 -5.579 -6.625 1.00 4.35 H new ATOM 0 HE22 GLN A 71 -9.351 -4.413 -7.526 1.00 4.35 H new ATOM 1067 N ALA A 72 -6.262 -5.196 -9.922 1.00 0.82 N ATOM 1068 CA ALA A 72 -6.395 -3.757 -10.020 1.00 0.84 C ATOM 1069 C ALA A 72 -7.858 -3.382 -9.769 1.00 0.97 C ATOM 1070 O ALA A 72 -8.254 -3.045 -8.651 1.00 1.50 O ATOM 1071 CB ALA A 72 -5.865 -3.291 -11.384 1.00 1.05 C ATOM 0 H ALA A 72 -6.287 -5.676 -10.822 1.00 0.82 H new ATOM 0 HA ALA A 72 -5.798 -3.245 -9.265 1.00 0.84 H new ATOM 0 HB1 ALA A 72 -5.963 -2.208 -11.462 1.00 1.05 H new ATOM 0 HB2 ALA A 72 -4.815 -3.568 -11.480 1.00 1.05 H new ATOM 0 HB3 ALA A 72 -6.440 -3.766 -12.179 1.00 1.05 H new ATOM 1077 N ALA A 73 -8.677 -3.483 -10.811 1.00 1.93 N ATOM 1078 CA ALA A 73 -10.106 -3.263 -10.766 1.00 2.27 C ATOM 1079 C ALA A 73 -10.668 -3.980 -11.989 1.00 3.03 C ATOM 1080 O ALA A 73 -10.003 -3.972 -13.025 1.00 4.07 O ATOM 1081 CB ALA A 73 -10.389 -1.760 -10.793 1.00 2.13 C ATOM 0 H ALA A 73 -8.344 -3.730 -11.743 1.00 1.93 H new ATOM 0 HA ALA A 73 -10.570 -3.648 -9.858 1.00 2.27 H new ATOM 0 HB1 ALA A 73 -11.465 -1.592 -10.759 1.00 2.13 H new ATOM 0 HB2 ALA A 73 -9.920 -1.286 -9.931 1.00 2.13 H new ATOM 0 HB3 ALA A 73 -9.983 -1.330 -11.709 1.00 2.13 H new ATOM 1087 N GLU A 74 -11.849 -4.588 -11.848 1.00 3.04 N ATOM 1088 CA GLU A 74 -12.415 -5.523 -12.812 1.00 3.57 C ATOM 1089 C GLU A 74 -11.438 -6.682 -13.079 1.00 4.00 C ATOM 1090 O GLU A 74 -11.448 -7.210 -14.213 1.00 5.29 O ATOM 1091 CB GLU A 74 -12.855 -4.793 -14.097 1.00 5.35 C ATOM 1092 CG GLU A 74 -14.020 -3.811 -13.880 1.00 6.28 C ATOM 1093 CD GLU A 74 -15.364 -4.432 -14.247 1.00 7.19 C ATOM 1094 OE1 GLU A 74 -15.632 -4.515 -15.465 1.00 8.47 O ATOM 1095 OE2 GLU A 74 -16.102 -4.796 -13.307 1.00 7.01 O ATOM 1096 OXT GLU A 74 -10.704 -7.043 -12.132 1.00 4.17 O ATOM 0 H GLU A 74 -12.450 -4.437 -11.038 1.00 3.04 H new ATOM 0 HA GLU A 74 -13.317 -5.966 -12.390 1.00 3.57 H new ATOM 0 HB2 GLU A 74 -12.003 -4.249 -14.505 1.00 5.35 H new ATOM 0 HB3 GLU A 74 -13.148 -5.532 -14.843 1.00 5.35 H new ATOM 0 HG2 GLU A 74 -14.039 -3.495 -12.837 1.00 6.28 H new ATOM 0 HG3 GLU A 74 -13.857 -2.916 -14.481 1.00 6.28 H new TER 1103 GLU A 74