USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 12 HIS : no HE2:sc= 0.806 K(o=2,f=-3.6!) USER MOD Set 1.2: A 87 THR OG1 : rot 76:sc= 1.19 USER MOD Set 2.1: A 83 CYS SG : rot 28:sc= 0.6 USER MOD Set 2.2: A 85 TYR OH : rot 112:sc= 0.615 USER MOD Set 3.1: A 27 CYS SG : rot -165:sc= 0.82 USER MOD Set 3.2: A 77 CYS SG : rot 117:sc= 0.382 USER MOD Set 4.1: A 68 GLN : amide:sc= 0.461 K(o=0.96,f=-0.2) USER MOD Set 4.2: A 70 SER OG : rot 139:sc= 0.495 USER MOD Single : A 5 HIS : no HE2:sc= 0.216 K(o=0.22,f=-1.1) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 19 THR OG1 : rot 34:sc= 0.137 USER MOD Single : A 20 SER OG : rot -45:sc= 0.3 USER MOD Single : A 22 CYS SG : rot 39:sc=-0.00578 USER MOD Single : A 24 MET CE :methyl -134:sc= -0.27 (180deg=-1.21) USER MOD Single : A 39 TYR OH : rot -112:sc= -0.0761 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0.651 (180deg=-0.225) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0437 K(o=0.044,f=-4.2!) USER MOD Single : A 59 HIS : no HE2:sc= -0.661 X(o=-0.66,f=-0.4) USER MOD Single : A 67 THR OG1 : rot 50:sc= 0.24 USER MOD Single : A 76 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.37) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.715 -12.256 -2.735 1.00 12.25 N ATOM 51 CA VAL A 4 -10.311 -11.912 -2.408 1.00 33.54 C ATOM 52 C VAL A 4 -10.244 -11.081 -1.102 1.00 62.31 C ATOM 53 O VAL A 4 -11.164 -10.329 -0.768 1.00 0.01 O ATOM 54 CB VAL A 4 -9.609 -11.123 -3.581 1.00 3.22 C ATOM 55 CG1 VAL A 4 -10.326 -9.779 -3.888 1.00 72.22 C ATOM 56 CG2 VAL A 4 -8.093 -10.908 -3.291 1.00 52.12 C ATOM 0 HA VAL A 4 -9.775 -12.850 -2.267 1.00 33.54 H new ATOM 0 HB VAL A 4 -9.691 -11.739 -4.477 1.00 3.22 H new ATOM 0 HG11 VAL A 4 -9.810 -9.269 -4.701 1.00 72.22 H new ATOM 0 HG12 VAL A 4 -11.358 -9.975 -4.179 1.00 72.22 H new ATOM 0 HG13 VAL A 4 -10.314 -9.149 -2.999 1.00 72.22 H new ATOM 0 HG21 VAL A 4 -7.638 -10.362 -4.117 1.00 52.12 H new ATOM 0 HG22 VAL A 4 -7.976 -10.336 -2.370 1.00 52.12 H new ATOM 0 HG23 VAL A 4 -7.603 -11.875 -3.182 1.00 52.12 H new ATOM 66 N HIS A 5 -9.143 -11.252 -0.354 1.00 22.53 N ATOM 67 CA HIS A 5 -8.931 -10.599 0.958 1.00 0.20 C ATOM 68 C HIS A 5 -7.578 -9.837 0.986 1.00 3.44 C ATOM 69 O HIS A 5 -6.846 -9.809 -0.014 1.00 60.34 O ATOM 70 CB HIS A 5 -8.989 -11.694 2.064 1.00 64.40 C ATOM 71 CG HIS A 5 -10.223 -12.566 1.967 1.00 32.54 C ATOM 72 ND1 HIS A 5 -11.458 -12.185 2.450 1.00 2.35 N ATOM 73 CD2 HIS A 5 -10.419 -13.768 1.367 1.00 21.42 C ATOM 74 CE1 HIS A 5 -12.352 -13.103 2.149 1.00 21.23 C ATOM 75 NE2 HIS A 5 -11.749 -14.070 1.492 1.00 41.14 N ATOM 0 H HIS A 5 -8.367 -11.850 -0.639 1.00 22.53 H new ATOM 0 HA HIS A 5 -9.712 -9.860 1.137 1.00 0.20 H new ATOM 0 HB2 HIS A 5 -8.101 -12.322 1.994 1.00 64.40 H new ATOM 0 HB3 HIS A 5 -8.965 -11.216 3.043 1.00 64.40 H new ATOM 0 HD1 HIS A 5 -11.649 -11.324 2.962 1.00 2.35 H new ATOM 0 HD2 HIS A 5 -9.667 -14.373 0.882 1.00 21.42 H new ATOM 0 HE1 HIS A 5 -13.402 -13.068 2.399 1.00 21.23 H new ATOM 84 N ILE A 6 -7.265 -9.190 2.124 1.00 60.51 N ATOM 85 CA ILE A 6 -5.944 -8.559 2.364 1.00 34.23 C ATOM 86 C ILE A 6 -5.238 -9.273 3.540 1.00 14.34 C ATOM 87 O ILE A 6 -5.715 -9.235 4.681 1.00 20.44 O ATOM 88 CB ILE A 6 -6.067 -7.012 2.651 1.00 24.43 C ATOM 89 CG1 ILE A 6 -6.763 -6.295 1.449 1.00 32.44 C ATOM 90 CG2 ILE A 6 -4.673 -6.381 2.946 1.00 73.41 C ATOM 91 CD1 ILE A 6 -6.905 -4.788 1.578 1.00 53.44 C ATOM 0 H ILE A 6 -7.915 -9.087 2.903 1.00 60.51 H new ATOM 0 HA ILE A 6 -5.349 -8.667 1.457 1.00 34.23 H new ATOM 0 HB ILE A 6 -6.683 -6.876 3.540 1.00 24.43 H new ATOM 0 HG12 ILE A 6 -6.198 -6.513 0.543 1.00 32.44 H new ATOM 0 HG13 ILE A 6 -7.756 -6.726 1.317 1.00 32.44 H new ATOM 0 HG21 ILE A 6 -4.790 -5.315 3.140 1.00 73.41 H new ATOM 0 HG22 ILE A 6 -4.233 -6.862 3.819 1.00 73.41 H new ATOM 0 HG23 ILE A 6 -4.020 -6.524 2.085 1.00 73.41 H new ATOM 0 HD11 ILE A 6 -7.400 -4.392 0.691 1.00 53.44 H new ATOM 0 HD12 ILE A 6 -7.499 -4.553 2.461 1.00 53.44 H new ATOM 0 HD13 ILE A 6 -5.918 -4.336 1.674 1.00 53.44 H new ATOM 103 N VAL A 7 -4.119 -9.951 3.238 1.00 34.32 N ATOM 104 CA VAL A 7 -3.307 -10.677 4.246 1.00 51.31 C ATOM 105 C VAL A 7 -2.410 -9.709 5.077 1.00 63.12 C ATOM 106 O VAL A 7 -2.197 -9.927 6.276 1.00 3.51 O ATOM 107 CB VAL A 7 -2.433 -11.802 3.560 1.00 15.32 C ATOM 108 CG1 VAL A 7 -3.328 -12.945 3.016 1.00 60.21 C ATOM 109 CG2 VAL A 7 -1.545 -11.224 2.426 1.00 2.14 C ATOM 0 H VAL A 7 -3.746 -10.015 2.291 1.00 34.32 H new ATOM 0 HA VAL A 7 -4.001 -11.153 4.939 1.00 51.31 H new ATOM 0 HB VAL A 7 -1.774 -12.212 4.325 1.00 15.32 H new ATOM 0 HG11 VAL A 7 -2.703 -13.706 2.549 1.00 60.21 H new ATOM 0 HG12 VAL A 7 -3.889 -13.390 3.838 1.00 60.21 H new ATOM 0 HG13 VAL A 7 -4.023 -12.543 2.278 1.00 60.21 H new ATOM 0 HG21 VAL A 7 -0.959 -12.026 1.978 1.00 2.14 H new ATOM 0 HG22 VAL A 7 -2.178 -10.768 1.665 1.00 2.14 H new ATOM 0 HG23 VAL A 7 -0.874 -10.471 2.838 1.00 2.14 H new ATOM 119 N ASP A 8 -1.907 -8.640 4.421 1.00 20.21 N ATOM 120 CA ASP A 8 -1.071 -7.599 5.066 1.00 20.45 C ATOM 121 C ASP A 8 -1.140 -6.272 4.246 1.00 3.11 C ATOM 122 O ASP A 8 -1.025 -6.317 3.030 1.00 75.13 O ATOM 123 CB ASP A 8 0.395 -8.090 5.193 1.00 33.43 C ATOM 124 CG ASP A 8 1.278 -7.148 6.031 1.00 41.21 C ATOM 125 OD1 ASP A 8 1.070 -7.061 7.263 1.00 0.41 O ATOM 126 OD2 ASP A 8 2.170 -6.479 5.465 1.00 22.54 O ATOM 0 H ASP A 8 -2.069 -8.473 3.428 1.00 20.21 H new ATOM 0 HA ASP A 8 -1.455 -7.407 6.068 1.00 20.45 H new ATOM 0 HB2 ASP A 8 0.402 -9.082 5.645 1.00 33.43 H new ATOM 0 HB3 ASP A 8 0.825 -8.191 4.197 1.00 33.43 H new ATOM 131 N PRO A 9 -1.367 -5.067 4.877 1.00 71.01 N ATOM 132 CA PRO A 9 -1.640 -4.921 6.325 1.00 30.50 C ATOM 133 C PRO A 9 -3.069 -5.378 6.710 1.00 30.32 C ATOM 134 O PRO A 9 -4.068 -4.982 6.100 1.00 54.33 O ATOM 135 CB PRO A 9 -1.430 -3.416 6.580 1.00 11.21 C ATOM 136 CG PRO A 9 -1.790 -2.772 5.282 1.00 51.01 C ATOM 137 CD PRO A 9 -1.351 -3.741 4.199 1.00 34.51 C ATOM 0 HA PRO A 9 -0.990 -5.550 6.933 1.00 30.50 H new ATOM 0 HB2 PRO A 9 -2.063 -3.057 7.392 1.00 11.21 H new ATOM 0 HB3 PRO A 9 -0.399 -3.199 6.860 1.00 11.21 H new ATOM 0 HG2 PRO A 9 -2.862 -2.582 5.225 1.00 51.01 H new ATOM 0 HG3 PRO A 9 -1.289 -1.810 5.171 1.00 51.01 H new ATOM 0 HD2 PRO A 9 -2.029 -3.720 3.346 1.00 34.51 H new ATOM 0 HD3 PRO A 9 -0.358 -3.497 3.823 1.00 34.51 H new ATOM 145 N ARG A 10 -3.123 -6.220 7.743 1.00 71.04 N ATOM 146 CA ARG A 10 -4.354 -6.852 8.248 1.00 12.21 C ATOM 147 C ARG A 10 -5.209 -5.859 9.104 1.00 43.44 C ATOM 148 O ARG A 10 -6.348 -6.155 9.481 1.00 34.21 O ATOM 149 CB ARG A 10 -3.913 -8.085 9.088 1.00 40.33 C ATOM 150 CG ARG A 10 -5.014 -9.115 9.380 1.00 24.14 C ATOM 151 CD ARG A 10 -5.527 -9.803 8.104 1.00 53.11 C ATOM 152 NE ARG A 10 -6.553 -10.809 8.402 1.00 64.24 N ATOM 153 CZ ARG A 10 -7.196 -11.530 7.511 1.00 2.11 C ATOM 154 NH1 ARG A 10 -6.999 -11.375 6.235 1.00 3.22 N ATOM 155 NH2 ARG A 10 -8.049 -12.403 7.917 1.00 33.01 N ATOM 0 H ARG A 10 -2.292 -6.492 8.269 1.00 71.04 H new ATOM 0 HA ARG A 10 -4.993 -7.154 7.418 1.00 12.21 H new ATOM 0 HB2 ARG A 10 -3.100 -8.587 8.564 1.00 40.33 H new ATOM 0 HB3 ARG A 10 -3.510 -7.731 10.037 1.00 40.33 H new ATOM 0 HG2 ARG A 10 -4.629 -9.869 10.066 1.00 24.14 H new ATOM 0 HG3 ARG A 10 -5.846 -8.621 9.883 1.00 24.14 H new ATOM 0 HD2 ARG A 10 -5.938 -9.054 7.427 1.00 53.11 H new ATOM 0 HD3 ARG A 10 -4.693 -10.277 7.586 1.00 53.11 H new ATOM 0 HE ARG A 10 -6.787 -10.961 9.383 1.00 64.24 H new ATOM 0 HH11 ARG A 10 -6.331 -10.679 5.903 1.00 3.22 H new ATOM 0 HH12 ARG A 10 -7.513 -11.949 5.566 1.00 3.22 H new ATOM 0 HH21 ARG A 10 -8.217 -12.526 8.916 1.00 33.01 H new ATOM 0 HH22 ARG A 10 -8.558 -12.972 7.240 1.00 33.01 H new ATOM 169 N GLU A 11 -4.633 -4.674 9.372 1.00 23.01 N ATOM 170 CA GLU A 11 -5.182 -3.669 10.305 1.00 72.13 C ATOM 171 C GLU A 11 -4.820 -2.229 9.859 1.00 62.43 C ATOM 172 O GLU A 11 -4.240 -2.024 8.780 1.00 33.20 O ATOM 173 CB GLU A 11 -4.607 -3.966 11.718 1.00 13.14 C ATOM 174 CG GLU A 11 -3.059 -3.998 11.775 1.00 31.21 C ATOM 175 CD GLU A 11 -2.522 -4.581 13.088 1.00 13.21 C ATOM 176 OE1 GLU A 11 -2.404 -5.824 13.192 1.00 61.15 O ATOM 177 OE2 GLU A 11 -2.233 -3.807 14.026 1.00 24.14 O ATOM 0 H GLU A 11 -3.757 -4.381 8.939 1.00 23.01 H new ATOM 0 HA GLU A 11 -6.270 -3.733 10.316 1.00 72.13 H new ATOM 0 HB2 GLU A 11 -4.970 -3.209 12.413 1.00 13.14 H new ATOM 0 HB3 GLU A 11 -4.993 -4.926 12.062 1.00 13.14 H new ATOM 0 HG2 GLU A 11 -2.682 -4.589 10.940 1.00 31.21 H new ATOM 0 HG3 GLU A 11 -2.675 -2.986 11.649 1.00 31.21 H new ATOM 184 N HIS A 12 -5.176 -1.238 10.701 1.00 73.01 N ATOM 185 CA HIS A 12 -4.790 0.173 10.495 1.00 63.32 C ATOM 186 C HIS A 12 -3.289 0.385 10.833 1.00 5.13 C ATOM 187 O HIS A 12 -2.821 -0.030 11.894 1.00 74.05 O ATOM 188 CB HIS A 12 -5.674 1.105 11.368 1.00 73.33 C ATOM 189 CG HIS A 12 -5.400 2.578 11.166 1.00 64.34 C ATOM 190 ND1 HIS A 12 -4.463 3.282 11.897 1.00 22.40 N ATOM 191 CD2 HIS A 12 -5.942 3.474 10.305 1.00 62.04 C ATOM 192 CE1 HIS A 12 -4.436 4.530 11.491 1.00 51.44 C ATOM 193 NE2 HIS A 12 -5.322 4.672 10.528 1.00 23.13 N ATOM 0 H HIS A 12 -5.737 -1.392 11.539 1.00 73.01 H new ATOM 0 HA HIS A 12 -4.945 0.423 9.445 1.00 63.32 H new ATOM 0 HB2 HIS A 12 -6.723 0.907 11.146 1.00 73.33 H new ATOM 0 HB3 HIS A 12 -5.518 0.858 12.418 1.00 73.33 H new ATOM 0 HD1 HIS A 12 -3.881 2.892 12.639 1.00 22.40 H new ATOM 0 HD2 HIS A 12 -6.718 3.278 9.579 1.00 62.04 H new ATOM 0 HE1 HIS A 12 -3.796 5.308 11.881 1.00 51.44 H new ATOM 202 N VAL A 13 -2.555 1.021 9.908 1.00 54.43 N ATOM 203 CA VAL A 13 -1.126 1.382 10.084 1.00 51.30 C ATOM 204 C VAL A 13 -0.965 2.916 10.232 1.00 42.43 C ATOM 205 O VAL A 13 -1.687 3.684 9.597 1.00 64.45 O ATOM 206 CB VAL A 13 -0.268 0.867 8.858 1.00 3.31 C ATOM 207 CG1 VAL A 13 1.218 1.308 8.950 1.00 44.31 C ATOM 208 CG2 VAL A 13 -0.375 -0.672 8.724 1.00 62.33 C ATOM 0 H VAL A 13 -2.934 1.306 9.005 1.00 54.43 H new ATOM 0 HA VAL A 13 -0.765 0.902 10.993 1.00 51.30 H new ATOM 0 HB VAL A 13 -0.683 1.328 7.962 1.00 3.31 H new ATOM 0 HG11 VAL A 13 1.764 0.930 8.086 1.00 44.31 H new ATOM 0 HG12 VAL A 13 1.274 2.396 8.967 1.00 44.31 H new ATOM 0 HG13 VAL A 13 1.660 0.908 9.862 1.00 44.31 H new ATOM 0 HG21 VAL A 13 0.222 -1.006 7.875 1.00 62.33 H new ATOM 0 HG22 VAL A 13 -0.006 -1.143 9.635 1.00 62.33 H new ATOM 0 HG23 VAL A 13 -1.417 -0.952 8.567 1.00 62.33 H new ATOM 218 N PHE A 14 -0.029 3.344 11.100 1.00 0.12 N ATOM 219 CA PHE A 14 0.399 4.756 11.225 1.00 31.51 C ATOM 220 C PHE A 14 1.867 4.891 10.746 1.00 33.25 C ATOM 221 O PHE A 14 2.734 4.117 11.171 1.00 1.44 O ATOM 222 CB PHE A 14 0.262 5.240 12.699 1.00 4.31 C ATOM 223 CG PHE A 14 0.628 6.713 12.903 1.00 32.33 C ATOM 224 CD1 PHE A 14 -0.299 7.715 12.626 1.00 2.51 C ATOM 225 CD2 PHE A 14 1.897 7.094 13.349 1.00 61.03 C ATOM 226 CE1 PHE A 14 0.027 9.044 12.787 1.00 34.25 C ATOM 227 CE2 PHE A 14 2.220 8.426 13.512 1.00 55.04 C ATOM 228 CZ PHE A 14 1.285 9.401 13.231 1.00 52.53 C ATOM 0 H PHE A 14 0.457 2.717 11.741 1.00 0.12 H new ATOM 0 HA PHE A 14 -0.242 5.381 10.603 1.00 31.51 H new ATOM 0 HB2 PHE A 14 -0.764 5.081 13.030 1.00 4.31 H new ATOM 0 HB3 PHE A 14 0.900 4.626 13.334 1.00 4.31 H new ATOM 0 HD1 PHE A 14 -1.286 7.447 12.280 1.00 2.51 H new ATOM 0 HD2 PHE A 14 2.634 6.336 13.569 1.00 61.03 H new ATOM 0 HE1 PHE A 14 -0.703 9.808 12.565 1.00 34.25 H new ATOM 0 HE2 PHE A 14 3.204 8.705 13.859 1.00 55.04 H new ATOM 0 HZ PHE A 14 1.537 10.443 13.358 1.00 52.53 H new ATOM 238 N VAL A 15 2.137 5.872 9.864 1.00 42.23 N ATOM 239 CA VAL A 15 3.494 6.144 9.328 1.00 25.10 C ATOM 240 C VAL A 15 3.898 7.612 9.611 1.00 10.31 C ATOM 241 O VAL A 15 3.304 8.539 9.057 1.00 73.51 O ATOM 242 CB VAL A 15 3.561 5.862 7.775 1.00 31.24 C ATOM 243 CG1 VAL A 15 4.972 6.145 7.193 1.00 73.20 C ATOM 244 CG2 VAL A 15 3.109 4.416 7.452 1.00 60.21 C ATOM 0 H VAL A 15 1.422 6.502 9.499 1.00 42.23 H new ATOM 0 HA VAL A 15 4.192 5.474 9.830 1.00 25.10 H new ATOM 0 HB VAL A 15 2.868 6.552 7.293 1.00 31.24 H new ATOM 0 HG11 VAL A 15 4.972 5.938 6.123 1.00 73.20 H new ATOM 0 HG12 VAL A 15 5.232 7.190 7.360 1.00 73.20 H new ATOM 0 HG13 VAL A 15 5.704 5.506 7.687 1.00 73.20 H new ATOM 0 HG21 VAL A 15 3.165 4.249 6.376 1.00 60.21 H new ATOM 0 HG22 VAL A 15 3.761 3.708 7.963 1.00 60.21 H new ATOM 0 HG23 VAL A 15 2.082 4.272 7.789 1.00 60.21 H new ATOM 254 N HIS A 16 4.889 7.826 10.499 1.00 2.44 N ATOM 255 CA HIS A 16 5.454 9.175 10.730 1.00 45.23 C ATOM 256 C HIS A 16 6.579 9.463 9.707 1.00 11.13 C ATOM 257 O HIS A 16 7.670 8.894 9.797 1.00 31.43 O ATOM 258 CB HIS A 16 5.988 9.331 12.175 1.00 42.14 C ATOM 259 CG HIS A 16 6.540 10.711 12.458 1.00 31.22 C ATOM 260 ND1 HIS A 16 7.881 11.016 12.349 1.00 4.24 N ATOM 261 CD2 HIS A 16 5.926 11.868 12.814 1.00 42.21 C ATOM 262 CE1 HIS A 16 8.067 12.291 12.611 1.00 22.52 C ATOM 263 NE2 HIS A 16 6.901 12.830 12.895 1.00 1.03 N ATOM 0 H HIS A 16 5.313 7.091 11.065 1.00 2.44 H new ATOM 0 HA HIS A 16 4.652 9.900 10.595 1.00 45.23 H new ATOM 0 HB2 HIS A 16 5.183 9.117 12.878 1.00 42.14 H new ATOM 0 HB3 HIS A 16 6.769 8.591 12.349 1.00 42.14 H new ATOM 0 HD2 HIS A 16 4.871 12.005 12.998 1.00 42.21 H new ATOM 0 HE1 HIS A 16 9.015 12.808 12.596 1.00 22.52 H new ATOM 0 HE2 HIS A 16 6.746 13.809 13.137 1.00 1.03 H new ATOM 272 N ALA A 17 6.299 10.351 8.744 1.00 11.23 N ATOM 273 CA ALA A 17 7.245 10.692 7.658 1.00 24.41 C ATOM 274 C ALA A 17 8.014 12.008 7.937 1.00 21.01 C ATOM 275 O ALA A 17 7.687 12.762 8.860 1.00 43.41 O ATOM 276 CB ALA A 17 6.481 10.777 6.329 1.00 61.22 C ATOM 0 H ALA A 17 5.414 10.856 8.690 1.00 11.23 H new ATOM 0 HA ALA A 17 7.995 9.903 7.602 1.00 24.41 H new ATOM 0 HB1 ALA A 17 7.174 11.028 5.526 1.00 61.22 H new ATOM 0 HB2 ALA A 17 6.012 9.816 6.117 1.00 61.22 H new ATOM 0 HB3 ALA A 17 5.713 11.547 6.399 1.00 61.22 H new ATOM 282 N ILE A 18 9.064 12.238 7.140 1.00 12.02 N ATOM 283 CA ILE A 18 9.852 13.491 7.125 1.00 62.41 C ATOM 284 C ILE A 18 9.531 14.279 5.821 1.00 23.24 C ATOM 285 O ILE A 18 9.157 13.675 4.806 1.00 62.45 O ATOM 286 CB ILE A 18 11.396 13.136 7.226 1.00 13.44 C ATOM 287 CG1 ILE A 18 11.718 12.484 8.617 1.00 35.24 C ATOM 288 CG2 ILE A 18 12.319 14.348 6.951 1.00 73.22 C ATOM 289 CD1 ILE A 18 13.146 11.970 8.776 1.00 12.31 C ATOM 0 H ILE A 18 9.403 11.547 6.470 1.00 12.02 H new ATOM 0 HA ILE A 18 9.591 14.120 7.976 1.00 62.41 H new ATOM 0 HB ILE A 18 11.605 12.413 6.437 1.00 13.44 H new ATOM 0 HG12 ILE A 18 11.524 13.218 9.399 1.00 35.24 H new ATOM 0 HG13 ILE A 18 11.030 11.655 8.780 1.00 35.24 H new ATOM 0 HG21 ILE A 18 13.361 14.039 7.036 1.00 73.22 H new ATOM 0 HG22 ILE A 18 12.133 14.726 5.946 1.00 73.22 H new ATOM 0 HG23 ILE A 18 12.114 15.134 7.678 1.00 73.22 H new ATOM 0 HD11 ILE A 18 13.269 11.538 9.769 1.00 12.31 H new ATOM 0 HD12 ILE A 18 13.345 11.208 8.022 1.00 12.31 H new ATOM 0 HD13 ILE A 18 13.846 12.796 8.650 1.00 12.31 H new ATOM 301 N THR A 19 9.626 15.628 5.867 1.00 34.04 N ATOM 302 CA THR A 19 9.430 16.486 4.676 1.00 51.33 C ATOM 303 C THR A 19 10.439 16.120 3.552 1.00 33.11 C ATOM 304 O THR A 19 11.658 16.235 3.737 1.00 21.53 O ATOM 305 CB THR A 19 9.542 18.012 5.025 1.00 3.15 C ATOM 306 OG1 THR A 19 10.783 18.281 5.692 1.00 22.21 O ATOM 307 CG2 THR A 19 8.371 18.498 5.904 1.00 32.33 C ATOM 0 H THR A 19 9.838 16.147 6.719 1.00 34.04 H new ATOM 0 HA THR A 19 8.418 16.299 4.316 1.00 51.33 H new ATOM 0 HB THR A 19 9.502 18.557 4.082 1.00 3.15 H new ATOM 0 HG1 THR A 19 11.480 17.690 5.337 1.00 22.21 H new ATOM 0 HG21 THR A 19 8.493 19.560 6.119 1.00 32.33 H new ATOM 0 HG22 THR A 19 7.430 18.340 5.376 1.00 32.33 H new ATOM 0 HG23 THR A 19 8.361 17.938 6.839 1.00 32.33 H new ATOM 315 N SER A 20 9.893 15.619 2.417 1.00 21.24 N ATOM 316 CA SER A 20 10.664 15.194 1.214 1.00 60.03 C ATOM 317 C SER A 20 11.475 13.883 1.443 1.00 3.11 C ATOM 318 O SER A 20 12.491 13.644 0.783 1.00 11.50 O ATOM 319 CB SER A 20 11.553 16.350 0.666 1.00 50.41 C ATOM 320 OG SER A 20 12.037 16.068 -0.639 1.00 55.30 O ATOM 0 H SER A 20 8.887 15.495 2.306 1.00 21.24 H new ATOM 0 HA SER A 20 9.930 14.956 0.444 1.00 60.03 H new ATOM 0 HB2 SER A 20 10.977 17.275 0.648 1.00 50.41 H new ATOM 0 HB3 SER A 20 12.395 16.512 1.339 1.00 50.41 H new ATOM 0 HG SER A 20 12.363 15.145 -0.674 1.00 55.30 H new ATOM 326 N GLU A 21 10.961 13.004 2.331 1.00 62.22 N ATOM 327 CA GLU A 21 11.563 11.669 2.618 1.00 54.41 C ATOM 328 C GLU A 21 11.193 10.636 1.512 1.00 13.41 C ATOM 329 O GLU A 21 10.278 10.858 0.718 1.00 64.24 O ATOM 330 CB GLU A 21 11.046 11.149 3.996 1.00 71.12 C ATOM 331 CG GLU A 21 11.770 9.886 4.554 1.00 53.11 C ATOM 332 CD GLU A 21 10.977 9.137 5.646 1.00 63.54 C ATOM 333 OE1 GLU A 21 10.626 9.754 6.669 1.00 30.43 O ATOM 334 OE2 GLU A 21 10.717 7.922 5.494 1.00 55.23 O ATOM 0 H GLU A 21 10.118 13.193 2.872 1.00 62.22 H new ATOM 0 HA GLU A 21 12.647 11.782 2.640 1.00 54.41 H new ATOM 0 HB2 GLU A 21 11.141 11.953 4.726 1.00 71.12 H new ATOM 0 HB3 GLU A 21 9.983 10.926 3.904 1.00 71.12 H new ATOM 0 HG2 GLU A 21 11.969 9.201 3.730 1.00 53.11 H new ATOM 0 HG3 GLU A 21 12.736 10.184 4.961 1.00 53.11 H new ATOM 341 N CYS A 22 11.929 9.517 1.464 1.00 23.50 N ATOM 342 CA CYS A 22 11.536 8.329 0.680 1.00 14.32 C ATOM 343 C CYS A 22 10.764 7.328 1.583 1.00 63.13 C ATOM 344 O CYS A 22 11.347 6.710 2.478 1.00 2.34 O ATOM 345 CB CYS A 22 12.788 7.665 0.055 1.00 0.23 C ATOM 346 SG CYS A 22 14.057 7.171 1.252 1.00 41.12 S ATOM 0 H CYS A 22 12.811 9.406 1.964 1.00 23.50 H new ATOM 0 HA CYS A 22 10.875 8.636 -0.131 1.00 14.32 H new ATOM 0 HB2 CYS A 22 12.474 6.785 -0.506 1.00 0.23 H new ATOM 0 HB3 CYS A 22 13.232 8.358 -0.660 1.00 0.23 H new ATOM 0 HG CYS A 22 13.486 6.685 2.314 1.00 41.12 H new ATOM 352 N VAL A 23 9.439 7.206 1.359 1.00 2.21 N ATOM 353 CA VAL A 23 8.543 6.306 2.140 1.00 44.22 C ATOM 354 C VAL A 23 7.981 5.171 1.238 1.00 32.42 C ATOM 355 O VAL A 23 7.614 5.416 0.092 1.00 1.00 O ATOM 356 CB VAL A 23 7.341 7.122 2.770 1.00 15.20 C ATOM 357 CG1 VAL A 23 6.413 6.223 3.626 1.00 44.15 C ATOM 358 CG2 VAL A 23 7.854 8.329 3.598 1.00 63.13 C ATOM 0 H VAL A 23 8.952 7.728 0.630 1.00 2.21 H new ATOM 0 HA VAL A 23 9.133 5.864 2.942 1.00 44.22 H new ATOM 0 HB VAL A 23 6.748 7.505 1.939 1.00 15.20 H new ATOM 0 HG11 VAL A 23 5.603 6.825 4.038 1.00 44.15 H new ATOM 0 HG12 VAL A 23 5.997 5.432 3.002 1.00 44.15 H new ATOM 0 HG13 VAL A 23 6.986 5.779 4.440 1.00 44.15 H new ATOM 0 HG21 VAL A 23 7.005 8.869 4.018 1.00 63.13 H new ATOM 0 HG22 VAL A 23 8.492 7.971 4.406 1.00 63.13 H new ATOM 0 HG23 VAL A 23 8.426 8.996 2.953 1.00 63.13 H new ATOM 368 N MET A 24 7.916 3.927 1.763 1.00 31.24 N ATOM 369 CA MET A 24 7.304 2.777 1.043 1.00 62.32 C ATOM 370 C MET A 24 6.157 2.150 1.879 1.00 0.40 C ATOM 371 O MET A 24 6.404 1.537 2.924 1.00 2.24 O ATOM 372 CB MET A 24 8.377 1.699 0.705 1.00 21.40 C ATOM 373 CG MET A 24 7.852 0.513 -0.132 1.00 24.44 C ATOM 374 SD MET A 24 9.085 -0.787 -0.386 1.00 74.23 S ATOM 375 CE MET A 24 10.406 0.109 -1.207 1.00 23.33 C ATOM 0 H MET A 24 8.280 3.689 2.686 1.00 31.24 H new ATOM 0 HA MET A 24 6.886 3.152 0.109 1.00 62.32 H new ATOM 0 HB2 MET A 24 9.194 2.176 0.164 1.00 21.40 H new ATOM 0 HB3 MET A 24 8.793 1.314 1.636 1.00 21.40 H new ATOM 0 HG2 MET A 24 6.980 0.085 0.364 1.00 24.44 H new ATOM 0 HG3 MET A 24 7.518 0.882 -1.102 1.00 24.44 H new ATOM 0 HE1 MET A 24 10.758 -0.466 -2.063 1.00 23.33 H new ATOM 0 HE2 MET A 24 10.033 1.075 -1.547 1.00 23.33 H new ATOM 0 HE3 MET A 24 11.229 0.263 -0.510 1.00 23.33 H new ATOM 385 N LEU A 25 4.905 2.321 1.415 1.00 20.40 N ATOM 386 CA LEU A 25 3.714 1.712 2.053 1.00 0.10 C ATOM 387 C LEU A 25 3.490 0.282 1.502 1.00 43.11 C ATOM 388 O LEU A 25 2.990 0.113 0.386 1.00 73.22 O ATOM 389 CB LEU A 25 2.466 2.597 1.798 1.00 5.34 C ATOM 390 CG LEU A 25 2.582 4.085 2.250 1.00 4.34 C ATOM 391 CD1 LEU A 25 1.303 4.871 1.912 1.00 44.10 C ATOM 392 CD2 LEU A 25 2.924 4.199 3.752 1.00 62.30 C ATOM 0 H LEU A 25 4.687 2.882 0.591 1.00 20.40 H new ATOM 0 HA LEU A 25 3.879 1.646 3.128 1.00 0.10 H new ATOM 0 HB2 LEU A 25 2.243 2.578 0.731 1.00 5.34 H new ATOM 0 HB3 LEU A 25 1.615 2.147 2.310 1.00 5.34 H new ATOM 0 HG LEU A 25 3.406 4.530 1.692 1.00 4.34 H new ATOM 0 HD11 LEU A 25 1.414 5.905 2.239 1.00 44.10 H new ATOM 0 HD12 LEU A 25 1.135 4.847 0.835 1.00 44.10 H new ATOM 0 HD13 LEU A 25 0.452 4.419 2.422 1.00 44.10 H new ATOM 0 HD21 LEU A 25 2.997 5.250 4.030 1.00 62.30 H new ATOM 0 HD22 LEU A 25 2.141 3.721 4.341 1.00 62.30 H new ATOM 0 HD23 LEU A 25 3.876 3.706 3.947 1.00 62.30 H new ATOM 404 N ALA A 26 3.865 -0.741 2.286 1.00 22.22 N ATOM 405 CA ALA A 26 3.853 -2.150 1.833 1.00 64.24 C ATOM 406 C ALA A 26 2.465 -2.809 2.038 1.00 63.04 C ATOM 407 O ALA A 26 2.012 -2.996 3.173 1.00 13.23 O ATOM 408 CB ALA A 26 4.952 -2.940 2.567 1.00 11.23 C ATOM 0 H ALA A 26 4.184 -0.621 3.247 1.00 22.22 H new ATOM 0 HA ALA A 26 4.056 -2.166 0.762 1.00 64.24 H new ATOM 0 HB1 ALA A 26 4.941 -3.977 2.231 1.00 11.23 H new ATOM 0 HB2 ALA A 26 5.925 -2.499 2.349 1.00 11.23 H new ATOM 0 HB3 ALA A 26 4.770 -2.904 3.641 1.00 11.23 H new ATOM 414 N CYS A 27 1.793 -3.139 0.916 1.00 31.32 N ATOM 415 CA CYS A 27 0.529 -3.913 0.908 1.00 52.31 C ATOM 416 C CYS A 27 0.639 -5.119 -0.043 1.00 72.31 C ATOM 417 O CYS A 27 1.278 -5.036 -1.091 1.00 20.31 O ATOM 418 CB CYS A 27 -0.674 -3.042 0.504 1.00 44.15 C ATOM 419 SG CYS A 27 -2.254 -3.922 0.529 1.00 20.42 S ATOM 0 H CYS A 27 2.112 -2.876 -0.016 1.00 31.32 H new ATOM 0 HA CYS A 27 0.363 -4.268 1.925 1.00 52.31 H new ATOM 0 HB2 CYS A 27 -0.734 -2.187 1.178 1.00 44.15 H new ATOM 0 HB3 CYS A 27 -0.505 -2.647 -0.498 1.00 44.15 H new ATOM 0 HG CYS A 27 -3.149 -3.225 -0.105 1.00 20.42 H new ATOM 425 N GLU A 28 0.051 -6.250 0.367 1.00 12.13 N ATOM 426 CA GLU A 28 0.026 -7.513 -0.396 1.00 62.42 C ATOM 427 C GLU A 28 -1.356 -8.203 -0.249 1.00 44.24 C ATOM 428 O GLU A 28 -1.928 -8.264 0.851 1.00 62.30 O ATOM 429 CB GLU A 28 1.190 -8.446 0.064 1.00 24.24 C ATOM 430 CG GLU A 28 2.596 -7.990 -0.420 1.00 44.41 C ATOM 431 CD GLU A 28 3.794 -8.755 0.160 1.00 4.42 C ATOM 432 OE1 GLU A 28 3.607 -9.804 0.813 1.00 65.51 O ATOM 433 OE2 GLU A 28 4.947 -8.306 -0.063 1.00 32.40 O ATOM 0 H GLU A 28 -0.434 -6.318 1.262 1.00 12.13 H new ATOM 0 HA GLU A 28 0.175 -7.295 -1.454 1.00 62.42 H new ATOM 0 HB2 GLU A 28 1.191 -8.498 1.153 1.00 24.24 H new ATOM 0 HB3 GLU A 28 1.000 -9.455 -0.303 1.00 24.24 H new ATOM 0 HG2 GLU A 28 2.629 -8.075 -1.506 1.00 44.41 H new ATOM 0 HG3 GLU A 28 2.715 -6.934 -0.179 1.00 44.41 H new ATOM 440 N VAL A 29 -1.881 -8.711 -1.376 1.00 75.54 N ATOM 441 CA VAL A 29 -3.246 -9.275 -1.474 1.00 31.52 C ATOM 442 C VAL A 29 -3.263 -10.821 -1.373 1.00 1.11 C ATOM 443 O VAL A 29 -2.247 -11.488 -1.566 1.00 72.13 O ATOM 444 CB VAL A 29 -3.931 -8.822 -2.818 1.00 15.10 C ATOM 445 CG1 VAL A 29 -4.125 -7.290 -2.846 1.00 42.22 C ATOM 446 CG2 VAL A 29 -3.126 -9.300 -4.054 1.00 5.14 C ATOM 0 H VAL A 29 -1.368 -8.744 -2.257 1.00 75.54 H new ATOM 0 HA VAL A 29 -3.807 -8.887 -0.624 1.00 31.52 H new ATOM 0 HB VAL A 29 -4.914 -9.292 -2.863 1.00 15.10 H new ATOM 0 HG11 VAL A 29 -4.600 -7.000 -3.784 1.00 42.22 H new ATOM 0 HG12 VAL A 29 -4.757 -6.988 -2.011 1.00 42.22 H new ATOM 0 HG13 VAL A 29 -3.155 -6.799 -2.763 1.00 42.22 H new ATOM 0 HG21 VAL A 29 -3.627 -8.970 -4.964 1.00 5.14 H new ATOM 0 HG22 VAL A 29 -2.122 -8.878 -4.019 1.00 5.14 H new ATOM 0 HG23 VAL A 29 -3.063 -10.388 -4.049 1.00 5.14 H new ATOM 456 N ASP A 30 -4.452 -11.360 -1.084 1.00 34.43 N ATOM 457 CA ASP A 30 -4.697 -12.811 -0.920 1.00 43.15 C ATOM 458 C ASP A 30 -4.648 -13.586 -2.273 1.00 51.15 C ATOM 459 O ASP A 30 -4.288 -14.767 -2.297 1.00 41.31 O ATOM 460 CB ASP A 30 -6.061 -12.967 -0.186 1.00 41.43 C ATOM 461 CG ASP A 30 -6.700 -14.366 -0.249 1.00 44.35 C ATOM 462 OD1 ASP A 30 -6.143 -15.310 0.353 1.00 72.11 O ATOM 463 OD2 ASP A 30 -7.779 -14.513 -0.876 1.00 55.33 O ATOM 0 H ASP A 30 -5.292 -10.796 -0.954 1.00 34.43 H new ATOM 0 HA ASP A 30 -3.901 -13.260 -0.326 1.00 43.15 H new ATOM 0 HB2 ASP A 30 -5.921 -12.699 0.861 1.00 41.43 H new ATOM 0 HB3 ASP A 30 -6.763 -12.248 -0.608 1.00 41.43 H new ATOM 468 N ARG A 31 -5.010 -12.917 -3.397 1.00 73.35 N ATOM 469 CA ARG A 31 -5.027 -13.547 -4.755 1.00 31.22 C ATOM 470 C ARG A 31 -4.286 -12.668 -5.797 1.00 41.12 C ATOM 471 O ARG A 31 -4.531 -11.460 -5.871 1.00 42.14 O ATOM 472 CB ARG A 31 -6.494 -13.777 -5.243 1.00 63.14 C ATOM 473 CG ARG A 31 -7.355 -14.642 -4.300 1.00 24.40 C ATOM 474 CD ARG A 31 -8.812 -14.802 -4.772 1.00 41.12 C ATOM 475 NE ARG A 31 -9.646 -15.471 -3.754 1.00 14.15 N ATOM 476 CZ ARG A 31 -9.892 -16.767 -3.675 1.00 22.42 C ATOM 477 NH1 ARG A 31 -9.442 -17.603 -4.570 1.00 74.31 N ATOM 478 NH2 ARG A 31 -10.607 -17.212 -2.698 1.00 2.11 N ATOM 0 H ARG A 31 -5.296 -11.938 -3.396 1.00 73.35 H new ATOM 0 HA ARG A 31 -4.514 -14.505 -4.668 1.00 31.22 H new ATOM 0 HB2 ARG A 31 -6.977 -12.808 -5.369 1.00 63.14 H new ATOM 0 HB3 ARG A 31 -6.467 -14.250 -6.225 1.00 63.14 H new ATOM 0 HG2 ARG A 31 -6.901 -15.629 -4.209 1.00 24.40 H new ATOM 0 HG3 ARG A 31 -7.351 -14.196 -3.305 1.00 24.40 H new ATOM 0 HD2 ARG A 31 -9.231 -13.821 -4.998 1.00 41.12 H new ATOM 0 HD3 ARG A 31 -8.834 -15.379 -5.697 1.00 41.12 H new ATOM 0 HE ARG A 31 -10.073 -14.876 -3.044 1.00 14.15 H new ATOM 0 HH11 ARG A 31 -8.886 -17.261 -5.354 1.00 74.31 H new ATOM 0 HH12 ARG A 31 -9.646 -18.599 -4.486 1.00 74.31 H new ATOM 0 HH21 ARG A 31 -10.974 -16.566 -1.999 1.00 2.11 H new ATOM 0 HH22 ARG A 31 -10.805 -18.210 -2.624 1.00 2.11 H new ATOM 492 N GLU A 32 -3.429 -13.301 -6.633 1.00 20.23 N ATOM 493 CA GLU A 32 -2.724 -12.625 -7.769 1.00 53.11 C ATOM 494 C GLU A 32 -3.743 -12.071 -8.792 1.00 54.00 C ATOM 495 O GLU A 32 -3.502 -11.051 -9.448 1.00 41.13 O ATOM 496 CB GLU A 32 -1.756 -13.602 -8.516 1.00 11.34 C ATOM 497 CG GLU A 32 -0.637 -14.246 -7.666 1.00 72.15 C ATOM 498 CD GLU A 32 -1.134 -15.322 -6.681 1.00 12.42 C ATOM 499 OE1 GLU A 32 -1.500 -16.425 -7.138 1.00 1.41 O ATOM 500 OE2 GLU A 32 -1.208 -15.061 -5.464 1.00 34.54 O ATOM 0 H GLU A 32 -3.202 -14.292 -6.547 1.00 20.23 H new ATOM 0 HA GLU A 32 -2.143 -11.810 -7.337 1.00 53.11 H new ATOM 0 HB2 GLU A 32 -2.351 -14.401 -8.958 1.00 11.34 H new ATOM 0 HB3 GLU A 32 -1.290 -13.059 -9.338 1.00 11.34 H new ATOM 0 HG2 GLU A 32 0.100 -14.693 -8.334 1.00 72.15 H new ATOM 0 HG3 GLU A 32 -0.126 -13.464 -7.105 1.00 72.15 H new ATOM 507 N ASP A 33 -4.882 -12.786 -8.896 1.00 61.35 N ATOM 508 CA ASP A 33 -6.024 -12.446 -9.776 1.00 50.43 C ATOM 509 C ASP A 33 -6.573 -11.011 -9.519 1.00 62.23 C ATOM 510 O ASP A 33 -7.052 -10.343 -10.448 1.00 3.24 O ATOM 511 CB ASP A 33 -7.132 -13.513 -9.547 1.00 62.43 C ATOM 512 CG ASP A 33 -8.410 -13.288 -10.373 1.00 11.34 C ATOM 513 OD1 ASP A 33 -8.326 -13.278 -11.621 1.00 41.44 O ATOM 514 OD2 ASP A 33 -9.508 -13.140 -9.782 1.00 41.12 O ATOM 0 H ASP A 33 -5.039 -13.638 -8.357 1.00 61.35 H new ATOM 0 HA ASP A 33 -5.688 -12.452 -10.813 1.00 50.43 H new ATOM 0 HB2 ASP A 33 -6.728 -14.496 -9.786 1.00 62.43 H new ATOM 0 HB3 ASP A 33 -7.395 -13.525 -8.489 1.00 62.43 H new ATOM 519 N ALA A 34 -6.486 -10.549 -8.261 1.00 74.10 N ATOM 520 CA ALA A 34 -6.994 -9.223 -7.852 1.00 53.45 C ATOM 521 C ALA A 34 -5.856 -8.171 -7.746 1.00 72.11 C ATOM 522 O ALA A 34 -4.747 -8.489 -7.287 1.00 25.43 O ATOM 523 CB ALA A 34 -7.721 -9.341 -6.514 1.00 30.32 C ATOM 0 H ALA A 34 -6.064 -11.080 -7.499 1.00 74.10 H new ATOM 0 HA ALA A 34 -7.686 -8.880 -8.621 1.00 53.45 H new ATOM 0 HB1 ALA A 34 -8.094 -8.362 -6.215 1.00 30.32 H new ATOM 0 HB2 ALA A 34 -8.557 -10.033 -6.614 1.00 30.32 H new ATOM 0 HB3 ALA A 34 -7.031 -9.713 -5.757 1.00 30.32 H new ATOM 529 N PRO A 35 -6.119 -6.892 -8.171 1.00 53.52 N ATOM 530 CA PRO A 35 -5.182 -5.761 -7.993 1.00 11.33 C ATOM 531 C PRO A 35 -5.448 -4.976 -6.672 1.00 0.55 C ATOM 532 O PRO A 35 -5.916 -5.548 -5.687 1.00 53.14 O ATOM 533 CB PRO A 35 -5.516 -4.924 -9.247 1.00 25.11 C ATOM 534 CG PRO A 35 -7.007 -5.037 -9.367 1.00 24.14 C ATOM 535 CD PRO A 35 -7.353 -6.441 -8.888 1.00 75.14 C ATOM 0 HA PRO A 35 -4.135 -6.049 -7.905 1.00 11.33 H new ATOM 0 HB2 PRO A 35 -5.202 -3.887 -9.131 1.00 25.11 H new ATOM 0 HB3 PRO A 35 -5.013 -5.312 -10.133 1.00 25.11 H new ATOM 0 HG2 PRO A 35 -7.507 -4.282 -8.760 1.00 24.14 H new ATOM 0 HG3 PRO A 35 -7.330 -4.884 -10.397 1.00 24.14 H new ATOM 0 HD2 PRO A 35 -8.219 -6.435 -8.227 1.00 75.14 H new ATOM 0 HD3 PRO A 35 -7.593 -7.100 -9.722 1.00 75.14 H new ATOM 543 N VAL A 36 -5.112 -3.668 -6.662 1.00 2.30 N ATOM 544 CA VAL A 36 -5.450 -2.735 -5.555 1.00 51.21 C ATOM 545 C VAL A 36 -5.897 -1.363 -6.104 1.00 23.13 C ATOM 546 O VAL A 36 -5.679 -1.034 -7.276 1.00 14.15 O ATOM 547 CB VAL A 36 -4.242 -2.512 -4.564 1.00 21.32 C ATOM 548 CG1 VAL A 36 -4.048 -3.718 -3.616 1.00 34.31 C ATOM 549 CG2 VAL A 36 -2.946 -2.195 -5.351 1.00 73.53 C ATOM 0 H VAL A 36 -4.597 -3.224 -7.422 1.00 2.30 H new ATOM 0 HA VAL A 36 -6.267 -3.203 -5.006 1.00 51.21 H new ATOM 0 HB VAL A 36 -4.478 -1.652 -3.937 1.00 21.32 H new ATOM 0 HG11 VAL A 36 -3.207 -3.526 -2.950 1.00 34.31 H new ATOM 0 HG12 VAL A 36 -4.952 -3.866 -3.026 1.00 34.31 H new ATOM 0 HG13 VAL A 36 -3.848 -4.614 -4.203 1.00 34.31 H new ATOM 0 HG21 VAL A 36 -2.123 -2.044 -4.652 1.00 73.53 H new ATOM 0 HG22 VAL A 36 -2.710 -3.027 -6.014 1.00 73.53 H new ATOM 0 HG23 VAL A 36 -3.091 -1.290 -5.941 1.00 73.53 H new ATOM 559 N ARG A 37 -6.539 -0.580 -5.225 1.00 62.35 N ATOM 560 CA ARG A 37 -6.899 0.829 -5.476 1.00 13.30 C ATOM 561 C ARG A 37 -6.304 1.713 -4.361 1.00 32.52 C ATOM 562 O ARG A 37 -6.842 1.757 -3.250 1.00 51.33 O ATOM 563 CB ARG A 37 -8.446 1.002 -5.541 1.00 21.13 C ATOM 564 CG ARG A 37 -9.133 0.224 -6.681 1.00 65.11 C ATOM 565 CD ARG A 37 -10.645 0.505 -6.767 1.00 32.35 C ATOM 566 NE ARG A 37 -11.394 0.009 -5.594 1.00 32.45 N ATOM 567 CZ ARG A 37 -12.385 0.632 -4.990 1.00 33.34 C ATOM 568 NH1 ARG A 37 -12.674 1.863 -5.258 1.00 20.54 N ATOM 569 NH2 ARG A 37 -13.061 0.014 -4.090 1.00 21.20 N ATOM 0 H ARG A 37 -6.829 -0.910 -4.304 1.00 62.35 H new ATOM 0 HA ARG A 37 -6.488 1.135 -6.438 1.00 13.30 H new ATOM 0 HB2 ARG A 37 -8.874 0.682 -4.591 1.00 21.13 H new ATOM 0 HB3 ARG A 37 -8.675 2.062 -5.653 1.00 21.13 H new ATOM 0 HG2 ARG A 37 -8.664 0.488 -7.629 1.00 65.11 H new ATOM 0 HG3 ARG A 37 -8.974 -0.844 -6.533 1.00 65.11 H new ATOM 0 HD2 ARG A 37 -10.804 1.579 -6.865 1.00 32.35 H new ATOM 0 HD3 ARG A 37 -11.044 0.040 -7.669 1.00 32.35 H new ATOM 0 HE ARG A 37 -11.119 -0.898 -5.218 1.00 32.45 H new ATOM 0 HH11 ARG A 37 -12.129 2.375 -5.952 1.00 20.54 H new ATOM 0 HH12 ARG A 37 -13.447 2.322 -4.776 1.00 20.54 H new ATOM 0 HH21 ARG A 37 -12.828 -0.950 -3.849 1.00 21.20 H new ATOM 0 HH22 ARG A 37 -13.830 0.487 -3.616 1.00 21.20 H new ATOM 583 N TRP A 38 -5.174 2.379 -4.655 1.00 31.43 N ATOM 584 CA TRP A 38 -4.517 3.303 -3.706 1.00 34.50 C ATOM 585 C TRP A 38 -5.108 4.722 -3.845 1.00 73.11 C ATOM 586 O TRP A 38 -5.306 5.209 -4.951 1.00 34.13 O ATOM 587 CB TRP A 38 -2.987 3.354 -3.944 1.00 23.45 C ATOM 588 CG TRP A 38 -2.231 2.114 -3.532 1.00 74.41 C ATOM 589 CD1 TRP A 38 -1.915 1.038 -4.311 1.00 35.22 C ATOM 590 CD2 TRP A 38 -1.682 1.840 -2.235 1.00 43.42 C ATOM 591 NE1 TRP A 38 -1.181 0.132 -3.587 1.00 30.33 N ATOM 592 CE2 TRP A 38 -1.032 0.598 -2.311 1.00 4.21 C ATOM 593 CE3 TRP A 38 -1.670 2.536 -1.020 1.00 62.33 C ATOM 594 CZ2 TRP A 38 -0.379 0.033 -1.224 1.00 75.22 C ATOM 595 CZ3 TRP A 38 -1.021 1.974 0.060 1.00 42.02 C ATOM 596 CH2 TRP A 38 -0.381 0.733 -0.048 1.00 11.15 C ATOM 0 H TRP A 38 -4.691 2.295 -5.549 1.00 31.43 H new ATOM 0 HA TRP A 38 -4.699 2.930 -2.698 1.00 34.50 H new ATOM 0 HB2 TRP A 38 -2.806 3.535 -5.003 1.00 23.45 H new ATOM 0 HB3 TRP A 38 -2.579 4.206 -3.401 1.00 23.45 H new ATOM 0 HD1 TRP A 38 -2.201 0.917 -5.345 1.00 35.22 H new ATOM 0 HE1 TRP A 38 -0.807 -0.747 -3.944 1.00 30.33 H new ATOM 0 HE3 TRP A 38 -2.159 3.495 -0.930 1.00 62.33 H new ATOM 0 HZ2 TRP A 38 0.113 -0.925 -1.304 1.00 75.22 H new ATOM 0 HZ3 TRP A 38 -1.006 2.499 1.004 1.00 42.02 H new ATOM 0 HH2 TRP A 38 0.121 0.320 0.814 1.00 11.15 H new ATOM 607 N TYR A 39 -5.375 5.375 -2.706 1.00 42.10 N ATOM 608 CA TYR A 39 -5.919 6.752 -2.665 1.00 55.12 C ATOM 609 C TYR A 39 -4.952 7.682 -1.901 1.00 54.35 C ATOM 610 O TYR A 39 -4.583 7.391 -0.772 1.00 52.35 O ATOM 611 CB TYR A 39 -7.325 6.729 -1.991 1.00 34.21 C ATOM 612 CG TYR A 39 -8.402 6.039 -2.846 1.00 52.03 C ATOM 613 CD1 TYR A 39 -8.606 4.652 -2.801 1.00 53.22 C ATOM 614 CD2 TYR A 39 -9.189 6.779 -3.731 1.00 44.42 C ATOM 615 CE1 TYR A 39 -9.550 4.043 -3.610 1.00 41.33 C ATOM 616 CE2 TYR A 39 -10.135 6.174 -4.527 1.00 35.24 C ATOM 617 CZ TYR A 39 -10.311 4.811 -4.470 1.00 50.31 C ATOM 618 OH TYR A 39 -11.233 4.211 -5.299 1.00 24.53 O ATOM 0 H TYR A 39 -5.222 4.969 -1.783 1.00 42.10 H new ATOM 0 HA TYR A 39 -6.023 7.138 -3.679 1.00 55.12 H new ATOM 0 HB2 TYR A 39 -7.251 6.218 -1.031 1.00 34.21 H new ATOM 0 HB3 TYR A 39 -7.637 7.753 -1.784 1.00 34.21 H new ATOM 0 HD1 TYR A 39 -8.017 4.050 -2.125 1.00 53.22 H new ATOM 0 HD2 TYR A 39 -9.052 7.849 -3.792 1.00 44.42 H new ATOM 0 HE1 TYR A 39 -9.691 2.973 -3.569 1.00 41.33 H new ATOM 0 HE2 TYR A 39 -10.739 6.769 -5.196 1.00 35.24 H new ATOM 0 HH TYR A 39 -10.941 4.298 -6.230 1.00 24.53 H new ATOM 628 N LYS A 40 -4.555 8.808 -2.525 1.00 53.21 N ATOM 629 CA LYS A 40 -3.692 9.833 -1.882 1.00 0.32 C ATOM 630 C LYS A 40 -4.604 10.953 -1.346 1.00 32.33 C ATOM 631 O LYS A 40 -5.056 11.787 -2.120 1.00 40.21 O ATOM 632 CB LYS A 40 -2.637 10.362 -2.922 1.00 12.14 C ATOM 633 CG LYS A 40 -1.458 11.219 -2.359 1.00 35.41 C ATOM 634 CD LYS A 40 -1.810 12.704 -2.077 1.00 63.04 C ATOM 635 CE LYS A 40 -0.608 13.514 -1.567 1.00 73.11 C ATOM 636 NZ LYS A 40 0.553 13.442 -2.490 1.00 30.32 N ATOM 0 H LYS A 40 -4.819 9.037 -3.483 1.00 53.21 H new ATOM 0 HA LYS A 40 -3.130 9.415 -1.047 1.00 0.32 H new ATOM 0 HB2 LYS A 40 -2.214 9.503 -3.443 1.00 12.14 H new ATOM 0 HB3 LYS A 40 -3.164 10.958 -3.667 1.00 12.14 H new ATOM 0 HG2 LYS A 40 -1.104 10.762 -1.435 1.00 35.41 H new ATOM 0 HG3 LYS A 40 -0.631 11.185 -3.068 1.00 35.41 H new ATOM 0 HD2 LYS A 40 -2.190 13.162 -2.990 1.00 63.04 H new ATOM 0 HD3 LYS A 40 -2.612 12.749 -1.340 1.00 63.04 H new ATOM 0 HE2 LYS A 40 -0.903 14.555 -1.438 1.00 73.11 H new ATOM 0 HE3 LYS A 40 -0.313 13.143 -0.586 1.00 73.11 H new ATOM 0 HZ1 LYS A 40 1.236 14.188 -2.248 1.00 30.32 H new ATOM 0 HZ2 LYS A 40 1.010 12.512 -2.401 1.00 30.32 H new ATOM 0 HZ3 LYS A 40 0.227 13.575 -3.469 1.00 30.32 H new ATOM 650 N ASP A 41 -4.913 10.919 -0.030 1.00 32.02 N ATOM 651 CA ASP A 41 -5.876 11.860 0.625 1.00 4.05 C ATOM 652 C ASP A 41 -7.333 11.662 0.067 1.00 24.42 C ATOM 653 O ASP A 41 -8.198 12.531 0.191 1.00 33.03 O ATOM 654 CB ASP A 41 -5.362 13.336 0.466 1.00 52.32 C ATOM 655 CG ASP A 41 -6.038 14.349 1.412 1.00 35.13 C ATOM 656 OD1 ASP A 41 -5.569 14.493 2.557 1.00 62.20 O ATOM 657 OD2 ASP A 41 -7.017 15.021 1.010 1.00 70.35 O ATOM 0 H ASP A 41 -4.507 10.242 0.616 1.00 32.02 H new ATOM 0 HA ASP A 41 -5.928 11.639 1.691 1.00 4.05 H new ATOM 0 HB2 ASP A 41 -4.286 13.355 0.642 1.00 52.32 H new ATOM 0 HB3 ASP A 41 -5.522 13.655 -0.564 1.00 52.32 H new ATOM 662 N GLY A 42 -7.599 10.467 -0.517 1.00 4.45 N ATOM 663 CA GLY A 42 -8.894 10.170 -1.177 1.00 33.04 C ATOM 664 C GLY A 42 -8.977 10.627 -2.649 1.00 3.11 C ATOM 665 O GLY A 42 -9.998 10.414 -3.309 1.00 0.34 O ATOM 0 H GLY A 42 -6.934 9.694 -0.544 1.00 4.45 H new ATOM 0 HA2 GLY A 42 -9.073 9.096 -1.132 1.00 33.04 H new ATOM 0 HA3 GLY A 42 -9.694 10.651 -0.614 1.00 33.04 H new ATOM 669 N GLN A 43 -7.890 11.236 -3.156 1.00 20.53 N ATOM 670 CA GLN A 43 -7.793 11.777 -4.548 1.00 12.02 C ATOM 671 C GLN A 43 -7.866 10.677 -5.653 1.00 14.02 C ATOM 672 O GLN A 43 -8.294 10.971 -6.774 1.00 61.52 O ATOM 673 CB GLN A 43 -6.453 12.569 -4.673 1.00 55.12 C ATOM 674 CG GLN A 43 -6.124 13.170 -6.061 1.00 1.24 C ATOM 675 CD GLN A 43 -4.738 13.830 -6.107 1.00 23.53 C ATOM 676 OE1 GLN A 43 -3.742 13.181 -6.412 1.00 50.01 O ATOM 677 NE2 GLN A 43 -4.656 15.114 -5.795 1.00 24.00 N ATOM 0 H GLN A 43 -7.037 11.374 -2.614 1.00 20.53 H new ATOM 0 HA GLN A 43 -8.656 12.423 -4.712 1.00 12.02 H new ATOM 0 HB2 GLN A 43 -6.470 13.381 -3.946 1.00 55.12 H new ATOM 0 HB3 GLN A 43 -5.638 11.904 -4.389 1.00 55.12 H new ATOM 0 HG2 GLN A 43 -6.173 12.383 -6.814 1.00 1.24 H new ATOM 0 HG3 GLN A 43 -6.882 13.908 -6.322 1.00 1.24 H new ATOM 0 HE21 GLN A 43 -5.498 15.633 -5.545 1.00 24.00 H new ATOM 0 HE22 GLN A 43 -3.751 15.584 -5.805 1.00 24.00 H new ATOM 686 N GLU A 44 -7.488 9.421 -5.286 1.00 65.51 N ATOM 687 CA GLU A 44 -7.166 8.304 -6.230 1.00 42.21 C ATOM 688 C GLU A 44 -5.775 8.522 -6.857 1.00 63.41 C ATOM 689 O GLU A 44 -5.514 9.565 -7.477 1.00 33.25 O ATOM 690 CB GLU A 44 -8.242 8.085 -7.345 1.00 11.14 C ATOM 691 CG GLU A 44 -8.002 6.879 -8.285 1.00 65.35 C ATOM 692 CD GLU A 44 -8.260 5.511 -7.623 1.00 62.22 C ATOM 693 OE1 GLU A 44 -7.341 4.957 -6.986 1.00 70.41 O ATOM 694 OE2 GLU A 44 -9.394 4.988 -7.739 1.00 5.42 O ATOM 0 H GLU A 44 -7.396 9.148 -4.308 1.00 65.51 H new ATOM 0 HA GLU A 44 -7.166 7.392 -5.633 1.00 42.21 H new ATOM 0 HB2 GLU A 44 -9.214 7.961 -6.867 1.00 11.14 H new ATOM 0 HB3 GLU A 44 -8.298 8.989 -7.952 1.00 11.14 H new ATOM 0 HG2 GLU A 44 -8.648 6.977 -9.158 1.00 65.35 H new ATOM 0 HG3 GLU A 44 -6.973 6.910 -8.644 1.00 65.35 H new ATOM 701 N VAL A 45 -4.878 7.544 -6.680 1.00 40.22 N ATOM 702 CA VAL A 45 -3.515 7.613 -7.219 1.00 12.40 C ATOM 703 C VAL A 45 -3.516 7.315 -8.735 1.00 40.20 C ATOM 704 O VAL A 45 -3.644 6.158 -9.165 1.00 42.13 O ATOM 705 CB VAL A 45 -2.525 6.648 -6.459 1.00 52.03 C ATOM 706 CG1 VAL A 45 -1.114 6.646 -7.104 1.00 23.55 C ATOM 707 CG2 VAL A 45 -2.438 7.011 -4.953 1.00 22.43 C ATOM 0 H VAL A 45 -5.075 6.688 -6.162 1.00 40.22 H new ATOM 0 HA VAL A 45 -3.154 8.629 -7.061 1.00 12.40 H new ATOM 0 HB VAL A 45 -2.929 5.639 -6.546 1.00 52.03 H new ATOM 0 HG11 VAL A 45 -0.462 5.969 -6.551 1.00 23.55 H new ATOM 0 HG12 VAL A 45 -1.188 6.314 -8.140 1.00 23.55 H new ATOM 0 HG13 VAL A 45 -0.699 7.654 -7.075 1.00 23.55 H new ATOM 0 HG21 VAL A 45 -1.749 6.330 -4.454 1.00 22.43 H new ATOM 0 HG22 VAL A 45 -2.078 8.034 -4.846 1.00 22.43 H new ATOM 0 HG23 VAL A 45 -3.426 6.924 -4.500 1.00 22.43 H new ATOM 717 N GLU A 46 -3.413 8.390 -9.532 1.00 33.30 N ATOM 718 CA GLU A 46 -3.120 8.311 -10.978 1.00 23.24 C ATOM 719 C GLU A 46 -1.626 8.679 -11.167 1.00 45.13 C ATOM 720 O GLU A 46 -1.232 9.452 -12.050 1.00 62.43 O ATOM 721 CB GLU A 46 -4.077 9.251 -11.757 1.00 71.11 C ATOM 722 CG GLU A 46 -4.131 8.992 -13.274 1.00 22.15 C ATOM 723 CD GLU A 46 -5.183 9.844 -13.998 1.00 50.02 C ATOM 724 OE1 GLU A 46 -4.872 10.994 -14.374 1.00 71.22 O ATOM 725 OE2 GLU A 46 -6.330 9.373 -14.178 1.00 33.03 O ATOM 0 H GLU A 46 -3.531 9.345 -9.193 1.00 33.30 H new ATOM 0 HA GLU A 46 -3.286 7.309 -11.374 1.00 23.24 H new ATOM 0 HB2 GLU A 46 -5.082 9.147 -11.347 1.00 71.11 H new ATOM 0 HB3 GLU A 46 -3.770 10.283 -11.588 1.00 71.11 H new ATOM 0 HG2 GLU A 46 -3.151 9.194 -13.705 1.00 22.15 H new ATOM 0 HG3 GLU A 46 -4.345 7.937 -13.448 1.00 22.15 H new ATOM 732 N GLU A 47 -0.810 8.053 -10.289 1.00 3.14 N ATOM 733 CA GLU A 47 0.631 8.312 -10.108 1.00 5.43 C ATOM 734 C GLU A 47 0.956 9.801 -9.795 1.00 13.51 C ATOM 735 O GLU A 47 2.089 10.256 -9.989 1.00 45.35 O ATOM 736 CB GLU A 47 1.459 7.747 -11.303 1.00 2.21 C ATOM 737 CG GLU A 47 1.335 6.210 -11.512 1.00 64.15 C ATOM 738 CD GLU A 47 0.012 5.744 -12.161 1.00 54.35 C ATOM 739 OE1 GLU A 47 -0.112 5.842 -13.404 1.00 0.32 O ATOM 740 OE2 GLU A 47 -0.915 5.303 -11.435 1.00 10.42 O ATOM 0 H GLU A 47 -1.154 7.325 -9.663 1.00 3.14 H new ATOM 0 HA GLU A 47 0.939 7.768 -9.215 1.00 5.43 H new ATOM 0 HB2 GLU A 47 1.143 8.251 -12.216 1.00 2.21 H new ATOM 0 HB3 GLU A 47 2.509 7.995 -11.149 1.00 2.21 H new ATOM 0 HG2 GLU A 47 2.165 5.875 -12.134 1.00 64.15 H new ATOM 0 HG3 GLU A 47 1.442 5.717 -10.546 1.00 64.15 H new ATOM 747 N SER A 48 -0.037 10.521 -9.226 1.00 74.34 N ATOM 748 CA SER A 48 0.075 11.958 -8.872 1.00 15.04 C ATOM 749 C SER A 48 1.064 12.180 -7.705 1.00 61.51 C ATOM 750 O SER A 48 1.115 11.361 -6.797 1.00 1.32 O ATOM 751 CB SER A 48 -1.319 12.511 -8.482 1.00 25.54 C ATOM 752 OG SER A 48 -2.292 12.251 -9.487 1.00 32.44 O ATOM 0 H SER A 48 -0.946 10.120 -8.997 1.00 74.34 H new ATOM 0 HA SER A 48 0.456 12.489 -9.744 1.00 15.04 H new ATOM 0 HB2 SER A 48 -1.638 12.061 -7.542 1.00 25.54 H new ATOM 0 HB3 SER A 48 -1.249 13.586 -8.313 1.00 25.54 H new ATOM 0 HG SER A 48 -3.158 12.613 -9.205 1.00 32.44 H new ATOM 758 N ASP A 49 1.832 13.296 -7.751 1.00 75.14 N ATOM 759 CA ASP A 49 2.822 13.684 -6.696 1.00 40.52 C ATOM 760 C ASP A 49 3.945 12.623 -6.503 1.00 1.52 C ATOM 761 O ASP A 49 4.387 12.370 -5.372 1.00 51.14 O ATOM 762 CB ASP A 49 2.113 13.985 -5.343 1.00 71.24 C ATOM 763 CG ASP A 49 0.988 15.021 -5.459 1.00 43.05 C ATOM 764 OD1 ASP A 49 1.277 16.180 -5.824 1.00 35.23 O ATOM 765 OD2 ASP A 49 -0.184 14.692 -5.163 1.00 62.44 O ATOM 0 H ASP A 49 1.788 13.961 -8.523 1.00 75.14 H new ATOM 0 HA ASP A 49 3.304 14.596 -7.048 1.00 40.52 H new ATOM 0 HB2 ASP A 49 1.703 13.058 -4.943 1.00 71.24 H new ATOM 0 HB3 ASP A 49 2.852 14.342 -4.626 1.00 71.24 H new ATOM 770 N PHE A 50 4.410 12.038 -7.636 1.00 12.44 N ATOM 771 CA PHE A 50 5.496 11.008 -7.684 1.00 42.50 C ATOM 772 C PHE A 50 5.077 9.632 -7.086 1.00 31.10 C ATOM 773 O PHE A 50 5.918 8.721 -7.004 1.00 74.14 O ATOM 774 CB PHE A 50 6.805 11.501 -6.986 1.00 71.13 C ATOM 775 CG PHE A 50 7.471 12.729 -7.610 1.00 12.03 C ATOM 776 CD1 PHE A 50 8.282 12.602 -8.738 1.00 22.20 C ATOM 777 CD2 PHE A 50 7.305 14.002 -7.059 1.00 72.24 C ATOM 778 CE1 PHE A 50 8.902 13.705 -9.292 1.00 33.42 C ATOM 779 CE2 PHE A 50 7.924 15.104 -7.617 1.00 62.51 C ATOM 780 CZ PHE A 50 8.723 14.955 -8.733 1.00 41.22 C ATOM 0 H PHE A 50 4.040 12.267 -8.559 1.00 12.44 H new ATOM 0 HA PHE A 50 5.689 10.860 -8.747 1.00 42.50 H new ATOM 0 HB2 PHE A 50 6.576 11.725 -5.944 1.00 71.13 H new ATOM 0 HB3 PHE A 50 7.524 10.682 -6.985 1.00 71.13 H new ATOM 0 HD1 PHE A 50 8.427 11.629 -9.184 1.00 22.20 H new ATOM 0 HD2 PHE A 50 6.684 14.126 -6.184 1.00 72.24 H new ATOM 0 HE1 PHE A 50 9.528 13.590 -10.164 1.00 33.42 H new ATOM 0 HE2 PHE A 50 7.783 16.082 -7.180 1.00 62.51 H new ATOM 0 HZ PHE A 50 9.208 15.816 -9.169 1.00 41.22 H new ATOM 790 N VAL A 51 3.797 9.471 -6.682 1.00 31.42 N ATOM 791 CA VAL A 51 3.315 8.233 -6.023 1.00 33.41 C ATOM 792 C VAL A 51 3.247 7.050 -7.035 1.00 61.22 C ATOM 793 O VAL A 51 2.264 6.894 -7.762 1.00 31.22 O ATOM 794 CB VAL A 51 1.907 8.450 -5.330 1.00 72.24 C ATOM 795 CG1 VAL A 51 1.453 7.183 -4.583 1.00 41.42 C ATOM 796 CG2 VAL A 51 1.910 9.664 -4.370 1.00 43.22 C ATOM 0 H VAL A 51 3.077 10.184 -6.800 1.00 31.42 H new ATOM 0 HA VAL A 51 4.035 7.981 -5.245 1.00 33.41 H new ATOM 0 HB VAL A 51 1.195 8.660 -6.128 1.00 72.24 H new ATOM 0 HG11 VAL A 51 0.484 7.363 -4.118 1.00 41.42 H new ATOM 0 HG12 VAL A 51 1.370 6.355 -5.288 1.00 41.42 H new ATOM 0 HG13 VAL A 51 2.184 6.933 -3.814 1.00 41.42 H new ATOM 0 HG21 VAL A 51 0.924 9.773 -3.919 1.00 43.22 H new ATOM 0 HG22 VAL A 51 2.652 9.507 -3.587 1.00 43.22 H new ATOM 0 HG23 VAL A 51 2.156 10.568 -4.927 1.00 43.22 H new ATOM 806 N VAL A 52 4.316 6.233 -7.086 1.00 3.21 N ATOM 807 CA VAL A 52 4.425 5.095 -8.037 1.00 44.25 C ATOM 808 C VAL A 52 4.030 3.759 -7.360 1.00 21.05 C ATOM 809 O VAL A 52 4.484 3.443 -6.258 1.00 43.42 O ATOM 810 CB VAL A 52 5.870 4.997 -8.668 1.00 50.43 C ATOM 811 CG1 VAL A 52 6.130 6.174 -9.640 1.00 1.42 C ATOM 812 CG2 VAL A 52 6.977 4.931 -7.580 1.00 74.04 C ATOM 0 H VAL A 52 5.127 6.336 -6.476 1.00 3.21 H new ATOM 0 HA VAL A 52 3.723 5.286 -8.848 1.00 44.25 H new ATOM 0 HB VAL A 52 5.911 4.065 -9.232 1.00 50.43 H new ATOM 0 HG11 VAL A 52 7.131 6.084 -10.061 1.00 1.42 H new ATOM 0 HG12 VAL A 52 5.395 6.151 -10.444 1.00 1.42 H new ATOM 0 HG13 VAL A 52 6.047 7.117 -9.100 1.00 1.42 H new ATOM 0 HG21 VAL A 52 7.954 4.864 -8.059 1.00 74.04 H new ATOM 0 HG22 VAL A 52 6.935 5.829 -6.964 1.00 74.04 H new ATOM 0 HG23 VAL A 52 6.819 4.053 -6.953 1.00 74.04 H new ATOM 822 N LEU A 53 3.160 2.984 -8.029 1.00 75.11 N ATOM 823 CA LEU A 53 2.597 1.729 -7.478 1.00 22.30 C ATOM 824 C LEU A 53 3.284 0.501 -8.119 1.00 13.12 C ATOM 825 O LEU A 53 3.215 0.310 -9.333 1.00 11.12 O ATOM 826 CB LEU A 53 1.061 1.695 -7.727 1.00 25.23 C ATOM 827 CG LEU A 53 0.280 2.976 -7.277 1.00 31.24 C ATOM 828 CD1 LEU A 53 -1.234 2.846 -7.553 1.00 33.03 C ATOM 829 CD2 LEU A 53 0.561 3.321 -5.792 1.00 4.25 C ATOM 0 H LEU A 53 2.824 3.205 -8.966 1.00 75.11 H new ATOM 0 HA LEU A 53 2.781 1.694 -6.404 1.00 22.30 H new ATOM 0 HB2 LEU A 53 0.886 1.538 -8.791 1.00 25.23 H new ATOM 0 HB3 LEU A 53 0.644 0.834 -7.205 1.00 25.23 H new ATOM 0 HG LEU A 53 0.648 3.807 -7.879 1.00 31.24 H new ATOM 0 HD11 LEU A 53 -1.742 3.754 -7.228 1.00 33.03 H new ATOM 0 HD12 LEU A 53 -1.398 2.701 -8.621 1.00 33.03 H new ATOM 0 HD13 LEU A 53 -1.632 1.991 -7.006 1.00 33.03 H new ATOM 0 HD21 LEU A 53 0.003 4.215 -5.514 1.00 4.25 H new ATOM 0 HD22 LEU A 53 0.251 2.489 -5.160 1.00 4.25 H new ATOM 0 HD23 LEU A 53 1.627 3.502 -5.656 1.00 4.25 H new ATOM 841 N GLU A 54 3.947 -0.320 -7.292 1.00 73.33 N ATOM 842 CA GLU A 54 4.697 -1.513 -7.744 1.00 10.34 C ATOM 843 C GLU A 54 3.837 -2.788 -7.579 1.00 72.02 C ATOM 844 O GLU A 54 3.496 -3.184 -6.456 1.00 43.14 O ATOM 845 CB GLU A 54 6.020 -1.627 -6.938 1.00 72.24 C ATOM 846 CG GLU A 54 6.848 -0.324 -6.881 1.00 33.15 C ATOM 847 CD GLU A 54 7.283 0.213 -8.256 1.00 33.32 C ATOM 848 OE1 GLU A 54 8.298 -0.278 -8.801 1.00 42.21 O ATOM 849 OE2 GLU A 54 6.627 1.137 -8.793 1.00 20.31 O ATOM 0 H GLU A 54 3.981 -0.179 -6.282 1.00 73.33 H new ATOM 0 HA GLU A 54 4.937 -1.409 -8.802 1.00 10.34 H new ATOM 0 HB2 GLU A 54 5.785 -1.938 -5.920 1.00 72.24 H new ATOM 0 HB3 GLU A 54 6.633 -2.413 -7.379 1.00 72.24 H new ATOM 0 HG2 GLU A 54 6.262 0.443 -6.374 1.00 33.15 H new ATOM 0 HG3 GLU A 54 7.737 -0.499 -6.275 1.00 33.15 H new ATOM 856 N ASN A 55 3.483 -3.413 -8.716 1.00 64.12 N ATOM 857 CA ASN A 55 2.594 -4.592 -8.765 1.00 42.15 C ATOM 858 C ASN A 55 3.334 -5.794 -9.390 1.00 12.00 C ATOM 859 O ASN A 55 3.857 -5.700 -10.506 1.00 72.45 O ATOM 860 CB ASN A 55 1.315 -4.253 -9.570 1.00 11.32 C ATOM 861 CG ASN A 55 0.493 -3.141 -8.916 1.00 73.10 C ATOM 862 OD1 ASN A 55 -0.427 -3.396 -8.149 1.00 24.14 O ATOM 863 ND2 ASN A 55 0.840 -1.898 -9.185 1.00 70.11 N ATOM 0 H ASN A 55 3.808 -3.113 -9.635 1.00 64.12 H new ATOM 0 HA ASN A 55 2.303 -4.863 -7.750 1.00 42.15 H new ATOM 0 HB2 ASN A 55 1.594 -3.950 -10.579 1.00 11.32 H new ATOM 0 HB3 ASN A 55 0.700 -5.148 -9.664 1.00 11.32 H new ATOM 0 HD21 ASN A 55 0.339 -1.123 -8.751 1.00 70.11 H new ATOM 0 HD22 ASN A 55 1.610 -1.711 -9.827 1.00 70.11 H new ATOM 870 N GLU A 56 3.361 -6.913 -8.653 1.00 20.42 N ATOM 871 CA GLU A 56 4.039 -8.155 -9.058 1.00 74.41 C ATOM 872 C GLU A 56 3.336 -9.352 -8.377 1.00 34.22 C ATOM 873 O GLU A 56 3.661 -9.708 -7.242 1.00 54.13 O ATOM 874 CB GLU A 56 5.558 -8.098 -8.686 1.00 54.02 C ATOM 875 CG GLU A 56 6.393 -9.331 -9.107 1.00 4.53 C ATOM 876 CD GLU A 56 6.403 -9.582 -10.631 1.00 64.43 C ATOM 877 OE1 GLU A 56 7.205 -8.939 -11.342 1.00 71.53 O ATOM 878 OE2 GLU A 56 5.607 -10.420 -11.121 1.00 0.14 O ATOM 0 H GLU A 56 2.905 -6.983 -7.743 1.00 20.42 H new ATOM 0 HA GLU A 56 3.976 -8.275 -10.140 1.00 74.41 H new ATOM 0 HB2 GLU A 56 5.994 -7.211 -9.146 1.00 54.02 H new ATOM 0 HB3 GLU A 56 5.646 -7.973 -7.607 1.00 54.02 H new ATOM 0 HG2 GLU A 56 7.419 -9.199 -8.763 1.00 4.53 H new ATOM 0 HG3 GLU A 56 5.999 -10.214 -8.605 1.00 4.53 H new ATOM 885 N GLY A 57 2.331 -9.921 -9.071 1.00 72.11 N ATOM 886 CA GLY A 57 1.524 -11.035 -8.548 1.00 23.03 C ATOM 887 C GLY A 57 0.697 -10.661 -7.303 1.00 75.34 C ATOM 888 O GLY A 57 -0.246 -9.866 -7.412 1.00 53.52 O ATOM 0 H GLY A 57 2.058 -9.621 -10.007 1.00 72.11 H new ATOM 0 HA2 GLY A 57 0.851 -11.385 -9.331 1.00 23.03 H new ATOM 0 HA3 GLY A 57 2.184 -11.867 -8.300 1.00 23.03 H new ATOM 892 N PRO A 58 1.020 -11.215 -6.086 1.00 20.22 N ATOM 893 CA PRO A 58 0.352 -10.826 -4.833 1.00 22.43 C ATOM 894 C PRO A 58 0.965 -9.548 -4.188 1.00 71.23 C ATOM 895 O PRO A 58 0.369 -8.970 -3.281 1.00 75.24 O ATOM 896 CB PRO A 58 0.515 -12.081 -3.923 1.00 65.01 C ATOM 897 CG PRO A 58 1.522 -12.987 -4.606 1.00 4.11 C ATOM 898 CD PRO A 58 2.041 -12.262 -5.835 1.00 33.22 C ATOM 0 HA PRO A 58 -0.691 -10.554 -4.994 1.00 22.43 H new ATOM 0 HB2 PRO A 58 0.862 -11.796 -2.930 1.00 65.01 H new ATOM 0 HB3 PRO A 58 -0.439 -12.591 -3.793 1.00 65.01 H new ATOM 0 HG2 PRO A 58 2.342 -13.226 -3.929 1.00 4.11 H new ATOM 0 HG3 PRO A 58 1.056 -13.931 -4.888 1.00 4.11 H new ATOM 0 HD2 PRO A 58 3.025 -11.827 -5.657 1.00 33.22 H new ATOM 0 HD3 PRO A 58 2.140 -12.937 -6.685 1.00 33.22 H new ATOM 906 N HIS A 59 2.149 -9.105 -4.677 1.00 73.04 N ATOM 907 CA HIS A 59 2.849 -7.907 -4.147 1.00 23.11 C ATOM 908 C HIS A 59 2.260 -6.614 -4.767 1.00 52.03 C ATOM 909 O HIS A 59 2.430 -6.360 -5.953 1.00 12.53 O ATOM 910 CB HIS A 59 4.371 -8.001 -4.427 1.00 22.21 C ATOM 911 CG HIS A 59 5.034 -9.237 -3.864 1.00 71.30 C ATOM 912 ND1 HIS A 59 5.792 -9.237 -2.711 1.00 71.45 N ATOM 913 CD2 HIS A 59 5.064 -10.511 -4.320 1.00 65.32 C ATOM 914 CE1 HIS A 59 6.258 -10.448 -2.489 1.00 41.32 C ATOM 915 NE2 HIS A 59 5.830 -11.243 -3.446 1.00 21.34 N ATOM 0 H HIS A 59 2.643 -9.563 -5.443 1.00 73.04 H new ATOM 0 HA HIS A 59 2.699 -7.869 -3.068 1.00 23.11 H new ATOM 0 HB2 HIS A 59 4.532 -7.976 -5.505 1.00 22.21 H new ATOM 0 HB3 HIS A 59 4.860 -7.120 -4.011 1.00 22.21 H new ATOM 0 HD1 HIS A 59 5.965 -8.423 -2.121 1.00 71.45 H new ATOM 0 HD2 HIS A 59 4.575 -10.884 -5.208 1.00 65.32 H new ATOM 0 HE1 HIS A 59 6.886 -10.740 -1.660 1.00 41.32 H new ATOM 924 N ARG A 60 1.553 -5.813 -3.952 1.00 2.03 N ATOM 925 CA ARG A 60 0.755 -4.646 -4.423 1.00 2.04 C ATOM 926 C ARG A 60 1.124 -3.360 -3.630 1.00 14.35 C ATOM 927 O ARG A 60 0.249 -2.653 -3.109 1.00 43.30 O ATOM 928 CB ARG A 60 -0.751 -4.993 -4.238 1.00 20.42 C ATOM 929 CG ARG A 60 -1.260 -6.217 -5.033 1.00 21.12 C ATOM 930 CD ARG A 60 -1.193 -6.019 -6.553 1.00 31.21 C ATOM 931 NE ARG A 60 -1.709 -7.185 -7.290 1.00 51.30 N ATOM 932 CZ ARG A 60 -1.853 -7.254 -8.600 1.00 21.25 C ATOM 933 NH1 ARG A 60 -1.591 -6.233 -9.361 1.00 34.33 N ATOM 934 NH2 ARG A 60 -2.294 -8.342 -9.134 1.00 44.13 N ATOM 0 H ARG A 60 1.513 -5.949 -2.942 1.00 2.03 H new ATOM 0 HA ARG A 60 0.971 -4.447 -5.473 1.00 2.04 H new ATOM 0 HB2 ARG A 60 -0.937 -5.168 -3.178 1.00 20.42 H new ATOM 0 HB3 ARG A 60 -1.343 -4.124 -4.526 1.00 20.42 H new ATOM 0 HG2 ARG A 60 -0.669 -7.091 -4.760 1.00 21.12 H new ATOM 0 HG3 ARG A 60 -2.290 -6.427 -4.745 1.00 21.12 H new ATOM 0 HD2 ARG A 60 -1.767 -5.134 -6.828 1.00 31.21 H new ATOM 0 HD3 ARG A 60 -0.160 -5.833 -6.848 1.00 31.21 H new ATOM 0 HE ARG A 60 -1.976 -8.004 -6.745 1.00 51.30 H new ATOM 0 HH11 ARG A 60 -1.268 -5.358 -8.948 1.00 34.33 H new ATOM 0 HH12 ARG A 60 -1.709 -6.307 -10.372 1.00 34.33 H new ATOM 0 HH21 ARG A 60 -2.529 -9.141 -8.545 1.00 44.13 H new ATOM 0 HH22 ARG A 60 -2.408 -8.404 -10.146 1.00 44.13 H new ATOM 948 N ARG A 61 2.427 -3.036 -3.584 1.00 11.21 N ATOM 949 CA ARG A 61 2.970 -2.011 -2.646 1.00 0.04 C ATOM 950 C ARG A 61 3.156 -0.619 -3.303 1.00 22.32 C ATOM 951 O ARG A 61 3.432 -0.505 -4.492 1.00 5.54 O ATOM 952 CB ARG A 61 4.318 -2.504 -2.046 1.00 3.45 C ATOM 953 CG ARG A 61 5.420 -2.806 -3.085 1.00 22.35 C ATOM 954 CD ARG A 61 6.728 -3.299 -2.439 1.00 13.22 C ATOM 955 NE ARG A 61 6.542 -4.553 -1.677 1.00 23.42 N ATOM 956 CZ ARG A 61 7.504 -5.244 -1.098 1.00 14.34 C ATOM 957 NH1 ARG A 61 8.742 -4.858 -1.147 1.00 44.54 N ATOM 958 NH2 ARG A 61 7.215 -6.335 -0.465 1.00 23.14 N ATOM 0 H ARG A 61 3.133 -3.464 -4.182 1.00 11.21 H new ATOM 0 HA ARG A 61 2.231 -1.885 -1.855 1.00 0.04 H new ATOM 0 HB2 ARG A 61 4.689 -1.748 -1.354 1.00 3.45 H new ATOM 0 HB3 ARG A 61 4.131 -3.406 -1.463 1.00 3.45 H new ATOM 0 HG2 ARG A 61 5.058 -3.560 -3.783 1.00 22.35 H new ATOM 0 HG3 ARG A 61 5.623 -1.906 -3.665 1.00 22.35 H new ATOM 0 HD2 ARG A 61 7.477 -3.456 -3.215 1.00 13.22 H new ATOM 0 HD3 ARG A 61 7.115 -2.527 -1.774 1.00 13.22 H new ATOM 0 HE ARG A 61 5.591 -4.913 -1.593 1.00 23.42 H new ATOM 0 HH11 ARG A 61 8.990 -4.001 -1.642 1.00 44.54 H new ATOM 0 HH12 ARG A 61 9.467 -5.411 -0.690 1.00 44.54 H new ATOM 0 HH21 ARG A 61 6.248 -6.655 -0.416 1.00 23.14 H new ATOM 0 HH22 ARG A 61 7.954 -6.875 -0.015 1.00 23.14 H new ATOM 972 N LEU A 62 2.982 0.427 -2.484 1.00 50.23 N ATOM 973 CA LEU A 62 3.214 1.840 -2.864 1.00 14.22 C ATOM 974 C LEU A 62 4.674 2.242 -2.545 1.00 10.53 C ATOM 975 O LEU A 62 5.144 2.047 -1.423 1.00 35.24 O ATOM 976 CB LEU A 62 2.188 2.732 -2.087 1.00 64.31 C ATOM 977 CG LEU A 62 2.126 4.278 -2.399 1.00 64.52 C ATOM 978 CD1 LEU A 62 0.746 4.860 -2.007 1.00 42.22 C ATOM 979 CD2 LEU A 62 3.243 5.079 -1.683 1.00 63.43 C ATOM 0 H LEU A 62 2.670 0.320 -1.519 1.00 50.23 H new ATOM 0 HA LEU A 62 3.067 1.979 -3.935 1.00 14.22 H new ATOM 0 HB2 LEU A 62 1.194 2.321 -2.264 1.00 64.31 H new ATOM 0 HB3 LEU A 62 2.394 2.619 -1.023 1.00 64.31 H new ATOM 0 HG LEU A 62 2.281 4.380 -3.473 1.00 64.52 H new ATOM 0 HD11 LEU A 62 0.724 5.927 -2.230 1.00 42.22 H new ATOM 0 HD12 LEU A 62 -0.036 4.355 -2.574 1.00 42.22 H new ATOM 0 HD13 LEU A 62 0.577 4.709 -0.941 1.00 42.22 H new ATOM 0 HD21 LEU A 62 3.151 6.136 -1.934 1.00 63.43 H new ATOM 0 HD22 LEU A 62 3.147 4.953 -0.605 1.00 63.43 H new ATOM 0 HD23 LEU A 62 4.217 4.713 -2.006 1.00 63.43 H new ATOM 991 N VAL A 63 5.387 2.787 -3.545 1.00 74.31 N ATOM 992 CA VAL A 63 6.708 3.434 -3.350 1.00 23.20 C ATOM 993 C VAL A 63 6.578 4.962 -3.590 1.00 54.20 C ATOM 994 O VAL A 63 5.877 5.405 -4.510 1.00 31.33 O ATOM 995 CB VAL A 63 7.814 2.809 -4.293 1.00 55.23 C ATOM 996 CG1 VAL A 63 9.175 3.555 -4.192 1.00 34.43 C ATOM 997 CG2 VAL A 63 8.000 1.301 -3.990 1.00 44.52 C ATOM 0 H VAL A 63 5.069 2.795 -4.514 1.00 74.31 H new ATOM 0 HA VAL A 63 7.028 3.256 -2.323 1.00 23.20 H new ATOM 0 HB VAL A 63 7.460 2.927 -5.317 1.00 55.23 H new ATOM 0 HG11 VAL A 63 9.898 3.085 -4.859 1.00 34.43 H new ATOM 0 HG12 VAL A 63 9.040 4.598 -4.479 1.00 34.43 H new ATOM 0 HG13 VAL A 63 9.542 3.505 -3.167 1.00 34.43 H new ATOM 0 HG21 VAL A 63 8.765 0.889 -4.649 1.00 44.52 H new ATOM 0 HG22 VAL A 63 8.308 1.174 -2.952 1.00 44.52 H new ATOM 0 HG23 VAL A 63 7.058 0.778 -4.156 1.00 44.52 H new ATOM 1007 N LEU A 64 7.244 5.756 -2.740 1.00 12.30 N ATOM 1008 CA LEU A 64 7.192 7.228 -2.784 1.00 14.44 C ATOM 1009 C LEU A 64 8.628 7.797 -2.522 1.00 10.22 C ATOM 1010 O LEU A 64 9.208 7.527 -1.473 1.00 20.34 O ATOM 1011 CB LEU A 64 6.125 7.723 -1.739 1.00 3.33 C ATOM 1012 CG LEU A 64 5.695 9.231 -1.766 1.00 4.31 C ATOM 1013 CD1 LEU A 64 6.782 10.144 -1.207 1.00 2.51 C ATOM 1014 CD2 LEU A 64 5.288 9.678 -3.182 1.00 33.42 C ATOM 0 H LEU A 64 7.840 5.394 -1.995 1.00 12.30 H new ATOM 0 HA LEU A 64 6.881 7.593 -3.763 1.00 14.44 H new ATOM 0 HB2 LEU A 64 5.227 7.120 -1.871 1.00 3.33 H new ATOM 0 HB3 LEU A 64 6.511 7.506 -0.743 1.00 3.33 H new ATOM 0 HG LEU A 64 4.823 9.319 -1.119 1.00 4.31 H new ATOM 0 HD11 LEU A 64 6.443 11.179 -1.244 1.00 2.51 H new ATOM 0 HD12 LEU A 64 6.993 9.868 -0.174 1.00 2.51 H new ATOM 0 HD13 LEU A 64 7.688 10.038 -1.803 1.00 2.51 H new ATOM 0 HD21 LEU A 64 4.996 10.728 -3.162 1.00 33.42 H new ATOM 0 HD22 LEU A 64 6.131 9.548 -3.861 1.00 33.42 H new ATOM 0 HD23 LEU A 64 4.448 9.075 -3.527 1.00 33.42 H new ATOM 1026 N PRO A 65 9.214 8.593 -3.480 1.00 75.53 N ATOM 1027 CA PRO A 65 10.603 9.142 -3.362 1.00 0.45 C ATOM 1028 C PRO A 65 10.746 10.473 -2.550 1.00 73.51 C ATOM 1029 O PRO A 65 11.749 10.662 -1.847 1.00 41.51 O ATOM 1030 CB PRO A 65 10.966 9.361 -4.843 1.00 1.13 C ATOM 1031 CG PRO A 65 9.671 9.781 -5.471 1.00 71.54 C ATOM 1032 CD PRO A 65 8.599 8.961 -4.787 1.00 45.14 C ATOM 0 HA PRO A 65 11.249 8.468 -2.800 1.00 0.45 H new ATOM 0 HB2 PRO A 65 11.733 10.127 -4.958 1.00 1.13 H new ATOM 0 HB3 PRO A 65 11.354 8.450 -5.298 1.00 1.13 H new ATOM 0 HG2 PRO A 65 9.496 10.848 -5.332 1.00 71.54 H new ATOM 0 HG3 PRO A 65 9.679 9.597 -6.545 1.00 71.54 H new ATOM 0 HD2 PRO A 65 7.682 9.535 -4.651 1.00 45.14 H new ATOM 0 HD3 PRO A 65 8.338 8.077 -5.370 1.00 45.14 H new ATOM 1040 N ALA A 66 9.764 11.398 -2.668 1.00 2.13 N ATOM 1041 CA ALA A 66 9.818 12.745 -2.033 1.00 15.34 C ATOM 1042 C ALA A 66 8.452 13.088 -1.385 1.00 22.13 C ATOM 1043 O ALA A 66 7.502 13.444 -2.087 1.00 64.33 O ATOM 1044 CB ALA A 66 10.231 13.812 -3.076 1.00 1.31 C ATOM 0 H ALA A 66 8.912 11.236 -3.204 1.00 2.13 H new ATOM 0 HA ALA A 66 10.570 12.737 -1.244 1.00 15.34 H new ATOM 0 HB1 ALA A 66 10.267 14.792 -2.600 1.00 1.31 H new ATOM 0 HB2 ALA A 66 11.215 13.567 -3.477 1.00 1.31 H new ATOM 0 HB3 ALA A 66 9.503 13.829 -3.887 1.00 1.31 H new ATOM 1050 N THR A 67 8.368 12.940 -0.042 1.00 42.55 N ATOM 1051 CA THR A 67 7.089 13.047 0.724 1.00 73.43 C ATOM 1052 C THR A 67 6.510 14.480 0.750 1.00 42.54 C ATOM 1053 O THR A 67 5.310 14.657 0.983 1.00 21.23 O ATOM 1054 CB THR A 67 7.271 12.521 2.195 1.00 10.05 C ATOM 1055 OG1 THR A 67 8.067 11.331 2.196 1.00 43.32 O ATOM 1056 CG2 THR A 67 5.937 12.181 2.876 1.00 25.54 C ATOM 0 H THR A 67 9.178 12.744 0.546 1.00 42.55 H new ATOM 0 HA THR A 67 6.371 12.420 0.195 1.00 73.43 H new ATOM 0 HB THR A 67 7.752 13.328 2.747 1.00 10.05 H new ATOM 0 HG1 THR A 67 8.883 11.483 1.675 1.00 43.32 H new ATOM 0 HG21 THR A 67 6.126 11.823 3.888 1.00 25.54 H new ATOM 0 HG22 THR A 67 5.312 13.073 2.917 1.00 25.54 H new ATOM 0 HG23 THR A 67 5.425 11.405 2.307 1.00 25.54 H new ATOM 1064 N GLN A 68 7.379 15.502 0.522 1.00 1.41 N ATOM 1065 CA GLN A 68 6.976 16.943 0.518 1.00 62.42 C ATOM 1066 C GLN A 68 6.287 17.327 1.881 1.00 43.24 C ATOM 1067 O GLN A 68 6.543 16.659 2.886 1.00 14.02 O ATOM 1068 CB GLN A 68 6.063 17.176 -0.742 1.00 41.05 C ATOM 1069 CG GLN A 68 6.692 16.708 -2.081 1.00 21.43 C ATOM 1070 CD GLN A 68 5.706 16.650 -3.255 1.00 11.23 C ATOM 1071 OE1 GLN A 68 4.771 17.438 -3.347 1.00 63.43 O ATOM 1072 NE2 GLN A 68 5.900 15.697 -4.156 1.00 65.32 N ATOM 0 H GLN A 68 8.371 15.356 0.337 1.00 1.41 H new ATOM 0 HA GLN A 68 7.840 17.603 0.440 1.00 62.42 H new ATOM 0 HB2 GLN A 68 5.119 16.651 -0.594 1.00 41.05 H new ATOM 0 HB3 GLN A 68 5.829 18.238 -0.815 1.00 41.05 H new ATOM 0 HG2 GLN A 68 7.509 17.382 -2.340 1.00 21.43 H new ATOM 0 HG3 GLN A 68 7.128 15.719 -1.938 1.00 21.43 H new ATOM 0 HE21 GLN A 68 6.685 15.054 -4.057 1.00 65.32 H new ATOM 0 HE22 GLN A 68 5.264 15.607 -4.948 1.00 65.32 H new ATOM 1081 N PRO A 69 5.512 18.456 1.997 1.00 30.03 N ATOM 1082 CA PRO A 69 4.397 18.524 2.988 1.00 71.05 C ATOM 1083 C PRO A 69 3.098 17.814 2.469 1.00 73.11 C ATOM 1084 O PRO A 69 2.200 17.487 3.253 1.00 24.41 O ATOM 1085 CB PRO A 69 4.188 20.048 3.169 1.00 22.23 C ATOM 1086 CG PRO A 69 4.601 20.639 1.854 1.00 1.35 C ATOM 1087 CD PRO A 69 5.755 19.786 1.358 1.00 23.45 C ATOM 0 HA PRO A 69 4.627 18.008 3.920 1.00 71.05 H new ATOM 0 HB2 PRO A 69 3.149 20.282 3.401 1.00 22.23 H new ATOM 0 HB3 PRO A 69 4.793 20.438 3.988 1.00 22.23 H new ATOM 0 HG2 PRO A 69 3.774 20.628 1.144 1.00 1.35 H new ATOM 0 HG3 PRO A 69 4.906 21.679 1.972 1.00 1.35 H new ATOM 0 HD2 PRO A 69 5.760 19.713 0.270 1.00 23.45 H new ATOM 0 HD3 PRO A 69 6.718 20.203 1.654 1.00 23.45 H new ATOM 1095 N SER A 70 3.044 17.576 1.140 1.00 53.11 N ATOM 1096 CA SER A 70 1.851 17.071 0.405 1.00 24.34 C ATOM 1097 C SER A 70 1.371 15.665 0.844 1.00 21.35 C ATOM 1098 O SER A 70 0.181 15.464 1.107 1.00 65.42 O ATOM 1099 CB SER A 70 2.167 17.051 -1.106 1.00 62.55 C ATOM 1100 OG SER A 70 2.582 18.333 -1.561 1.00 32.24 O ATOM 0 H SER A 70 3.846 17.732 0.529 1.00 53.11 H new ATOM 0 HA SER A 70 1.035 17.753 0.642 1.00 24.34 H new ATOM 0 HB2 SER A 70 2.950 16.320 -1.307 1.00 62.55 H new ATOM 0 HB3 SER A 70 1.284 16.733 -1.661 1.00 62.55 H new ATOM 0 HG SER A 70 3.330 18.232 -2.186 1.00 32.24 H new ATOM 1106 N ASP A 71 2.302 14.696 0.930 1.00 3.21 N ATOM 1107 CA ASP A 71 1.973 13.256 1.163 1.00 31.34 C ATOM 1108 C ASP A 71 1.749 12.906 2.662 1.00 34.41 C ATOM 1109 O ASP A 71 1.860 11.742 3.065 1.00 53.41 O ATOM 1110 CB ASP A 71 3.077 12.371 0.523 1.00 52.15 C ATOM 1111 CG ASP A 71 3.119 12.507 -1.009 1.00 33.45 C ATOM 1112 OD1 ASP A 71 3.603 13.546 -1.518 1.00 33.24 O ATOM 1113 OD2 ASP A 71 2.590 11.611 -1.704 1.00 34.01 O ATOM 0 H ASP A 71 3.302 14.877 0.842 1.00 3.21 H new ATOM 0 HA ASP A 71 1.016 13.052 0.682 1.00 31.34 H new ATOM 0 HB2 ASP A 71 4.047 12.648 0.937 1.00 52.15 H new ATOM 0 HB3 ASP A 71 2.903 11.328 0.788 1.00 52.15 H new ATOM 1118 N GLY A 72 1.403 13.918 3.474 1.00 61.54 N ATOM 1119 CA GLY A 72 1.001 13.717 4.873 1.00 23.34 C ATOM 1120 C GLY A 72 -0.514 13.656 5.039 1.00 64.23 C ATOM 1121 O GLY A 72 -1.152 14.673 5.353 1.00 52.41 O ATOM 0 H GLY A 72 1.394 14.894 3.179 1.00 61.54 H new ATOM 0 HA2 GLY A 72 1.442 12.793 5.246 1.00 23.34 H new ATOM 0 HA3 GLY A 72 1.398 14.529 5.483 1.00 23.34 H new ATOM 1125 N GLY A 73 -1.094 12.462 4.814 1.00 43.21 N ATOM 1126 CA GLY A 73 -2.543 12.265 4.969 1.00 23.23 C ATOM 1127 C GLY A 73 -2.991 10.804 4.873 1.00 11.32 C ATOM 1128 O GLY A 73 -2.194 9.883 5.086 1.00 3.35 O ATOM 0 H GLY A 73 -0.584 11.627 4.527 1.00 43.21 H new ATOM 0 HA2 GLY A 73 -2.852 12.665 5.935 1.00 23.23 H new ATOM 0 HA3 GLY A 73 -3.061 12.843 4.204 1.00 23.23 H new ATOM 1132 N GLU A 74 -4.289 10.609 4.569 1.00 2.21 N ATOM 1133 CA GLU A 74 -4.939 9.279 4.529 1.00 3.51 C ATOM 1134 C GLU A 74 -4.677 8.543 3.190 1.00 52.42 C ATOM 1135 O GLU A 74 -5.208 8.931 2.140 1.00 52.02 O ATOM 1136 CB GLU A 74 -6.470 9.449 4.759 1.00 52.50 C ATOM 1137 CG GLU A 74 -6.834 10.170 6.075 1.00 22.22 C ATOM 1138 CD GLU A 74 -8.340 10.458 6.238 1.00 0.02 C ATOM 1139 OE1 GLU A 74 -8.873 11.311 5.490 1.00 25.01 O ATOM 1140 OE2 GLU A 74 -8.989 9.863 7.126 1.00 34.53 O ATOM 0 H GLU A 74 -4.923 11.375 4.342 1.00 2.21 H new ATOM 0 HA GLU A 74 -4.508 8.667 5.321 1.00 3.51 H new ATOM 0 HB2 GLU A 74 -6.892 10.007 3.923 1.00 52.50 H new ATOM 0 HB3 GLU A 74 -6.939 8.465 4.755 1.00 52.50 H new ATOM 0 HG2 GLU A 74 -6.498 9.562 6.915 1.00 22.22 H new ATOM 0 HG3 GLU A 74 -6.287 11.112 6.124 1.00 22.22 H new ATOM 1147 N PHE A 75 -3.842 7.488 3.235 1.00 64.22 N ATOM 1148 CA PHE A 75 -3.598 6.594 2.084 1.00 44.12 C ATOM 1149 C PHE A 75 -4.398 5.279 2.259 1.00 52.24 C ATOM 1150 O PHE A 75 -4.145 4.513 3.184 1.00 71.12 O ATOM 1151 CB PHE A 75 -2.083 6.307 1.920 1.00 44.50 C ATOM 1152 CG PHE A 75 -1.252 7.509 1.446 1.00 73.20 C ATOM 1153 CD1 PHE A 75 -1.012 8.593 2.289 1.00 13.45 C ATOM 1154 CD2 PHE A 75 -0.700 7.543 0.163 1.00 14.54 C ATOM 1155 CE1 PHE A 75 -0.256 9.670 1.866 1.00 71.24 C ATOM 1156 CE2 PHE A 75 0.061 8.618 -0.257 1.00 42.10 C ATOM 1157 CZ PHE A 75 0.284 9.680 0.595 1.00 64.32 C ATOM 0 H PHE A 75 -3.316 7.230 4.070 1.00 64.22 H new ATOM 0 HA PHE A 75 -3.940 7.090 1.175 1.00 44.12 H new ATOM 0 HB2 PHE A 75 -1.687 5.962 2.875 1.00 44.50 H new ATOM 0 HB3 PHE A 75 -1.956 5.491 1.209 1.00 44.50 H new ATOM 0 HD1 PHE A 75 -1.423 8.591 3.288 1.00 13.45 H new ATOM 0 HD2 PHE A 75 -0.870 6.717 -0.511 1.00 14.54 H new ATOM 0 HE1 PHE A 75 -0.087 10.505 2.530 1.00 71.24 H new ATOM 0 HE2 PHE A 75 0.481 8.626 -1.252 1.00 42.10 H new ATOM 0 HZ PHE A 75 0.881 10.519 0.268 1.00 64.32 H new ATOM 1167 N GLN A 76 -5.366 5.031 1.364 1.00 12.33 N ATOM 1168 CA GLN A 76 -6.284 3.868 1.462 1.00 2.20 C ATOM 1169 C GLN A 76 -6.050 2.877 0.300 1.00 25.42 C ATOM 1170 O GLN A 76 -6.033 3.283 -0.855 1.00 40.13 O ATOM 1171 CB GLN A 76 -7.749 4.375 1.465 1.00 10.11 C ATOM 1172 CG GLN A 76 -8.817 3.268 1.602 1.00 31.03 C ATOM 1173 CD GLN A 76 -10.256 3.800 1.584 1.00 63.15 C ATOM 1174 OE1 GLN A 76 -10.534 4.916 2.010 1.00 44.53 O ATOM 1175 NE2 GLN A 76 -11.178 3.003 1.095 1.00 63.55 N ATOM 0 H GLN A 76 -5.541 5.624 0.552 1.00 12.33 H new ATOM 0 HA GLN A 76 -6.084 3.334 2.391 1.00 2.20 H new ATOM 0 HB2 GLN A 76 -7.872 5.083 2.285 1.00 10.11 H new ATOM 0 HB3 GLN A 76 -7.931 4.923 0.541 1.00 10.11 H new ATOM 0 HG2 GLN A 76 -8.693 2.552 0.790 1.00 31.03 H new ATOM 0 HG3 GLN A 76 -8.650 2.726 2.533 1.00 31.03 H new ATOM 0 HE21 GLN A 76 -10.921 2.079 0.747 1.00 63.55 H new ATOM 0 HE22 GLN A 76 -12.151 3.308 1.063 1.00 63.55 H new ATOM 1184 N CYS A 77 -5.893 1.579 0.626 1.00 52.21 N ATOM 1185 CA CYS A 77 -5.611 0.513 -0.370 1.00 60.13 C ATOM 1186 C CYS A 77 -6.734 -0.551 -0.380 1.00 42.23 C ATOM 1187 O CYS A 77 -6.843 -1.353 0.550 1.00 54.52 O ATOM 1188 CB CYS A 77 -4.257 -0.157 -0.060 1.00 72.41 C ATOM 1189 SG CYS A 77 -3.760 -1.387 -1.282 1.00 72.32 S ATOM 0 H CYS A 77 -5.957 1.235 1.584 1.00 52.21 H new ATOM 0 HA CYS A 77 -5.568 0.975 -1.356 1.00 60.13 H new ATOM 0 HB2 CYS A 77 -3.487 0.612 0.002 1.00 72.41 H new ATOM 0 HB3 CYS A 77 -4.313 -0.633 0.919 1.00 72.41 H new ATOM 0 HG CYS A 77 -2.667 -0.999 -1.868 1.00 72.32 H new ATOM 1195 N VAL A 78 -7.581 -0.545 -1.427 1.00 5.03 N ATOM 1196 CA VAL A 78 -8.713 -1.496 -1.554 1.00 61.33 C ATOM 1197 C VAL A 78 -8.385 -2.598 -2.595 1.00 24.31 C ATOM 1198 O VAL A 78 -8.320 -2.314 -3.793 1.00 33.40 O ATOM 1199 CB VAL A 78 -10.049 -0.765 -1.976 1.00 44.13 C ATOM 1200 CG1 VAL A 78 -11.276 -1.703 -1.822 1.00 45.15 C ATOM 1201 CG2 VAL A 78 -10.247 0.554 -1.190 1.00 63.43 C ATOM 0 H VAL A 78 -7.505 0.111 -2.204 1.00 5.03 H new ATOM 0 HA VAL A 78 -8.861 -1.948 -0.573 1.00 61.33 H new ATOM 0 HB VAL A 78 -9.961 -0.506 -3.031 1.00 44.13 H new ATOM 0 HG11 VAL A 78 -12.180 -1.172 -2.120 1.00 45.15 H new ATOM 0 HG12 VAL A 78 -11.145 -2.580 -2.456 1.00 45.15 H new ATOM 0 HG13 VAL A 78 -11.366 -2.017 -0.782 1.00 45.15 H new ATOM 0 HG21 VAL A 78 -11.175 1.030 -1.506 1.00 63.43 H new ATOM 0 HG22 VAL A 78 -10.295 0.338 -0.123 1.00 63.43 H new ATOM 0 HG23 VAL A 78 -9.410 1.224 -1.387 1.00 63.43 H new ATOM 1211 N ALA A 79 -8.189 -3.846 -2.126 1.00 13.40 N ATOM 1212 CA ALA A 79 -7.887 -5.012 -3.002 1.00 43.12 C ATOM 1213 C ALA A 79 -9.099 -5.402 -3.879 1.00 74.31 C ATOM 1214 O ALA A 79 -8.991 -5.573 -5.099 1.00 2.33 O ATOM 1215 CB ALA A 79 -7.461 -6.213 -2.142 1.00 23.10 C ATOM 0 H ALA A 79 -8.234 -4.081 -1.134 1.00 13.40 H new ATOM 0 HA ALA A 79 -7.073 -4.725 -3.668 1.00 43.12 H new ATOM 0 HB1 ALA A 79 -7.241 -7.063 -2.788 1.00 23.10 H new ATOM 0 HB2 ALA A 79 -6.571 -5.953 -1.569 1.00 23.10 H new ATOM 0 HB3 ALA A 79 -8.268 -6.476 -1.458 1.00 23.10 H new ATOM 1221 N GLY A 80 -10.249 -5.541 -3.211 1.00 63.41 N ATOM 1222 CA GLY A 80 -11.498 -5.947 -3.852 1.00 23.03 C ATOM 1223 C GLY A 80 -12.645 -5.934 -2.852 1.00 1.45 C ATOM 1224 O GLY A 80 -13.323 -4.914 -2.687 1.00 63.35 O ATOM 0 H GLY A 80 -10.337 -5.374 -2.209 1.00 63.41 H new ATOM 0 HA2 GLY A 80 -11.723 -5.274 -4.680 1.00 23.03 H new ATOM 0 HA3 GLY A 80 -11.388 -6.946 -4.274 1.00 23.03 H new ATOM 1228 N ASP A 81 -12.829 -7.067 -2.157 1.00 73.35 N ATOM 1229 CA ASP A 81 -13.842 -7.219 -1.093 1.00 51.11 C ATOM 1230 C ASP A 81 -13.431 -6.471 0.201 1.00 34.12 C ATOM 1231 O ASP A 81 -14.288 -5.959 0.931 1.00 22.11 O ATOM 1232 CB ASP A 81 -14.053 -8.724 -0.797 1.00 43.24 C ATOM 1233 CG ASP A 81 -14.461 -9.516 -2.049 1.00 4.11 C ATOM 1234 OD1 ASP A 81 -13.574 -9.883 -2.846 1.00 32.53 O ATOM 1235 OD2 ASP A 81 -15.669 -9.758 -2.252 1.00 42.04 O ATOM 0 H ASP A 81 -12.278 -7.910 -2.316 1.00 73.35 H new ATOM 0 HA ASP A 81 -14.775 -6.776 -1.443 1.00 51.11 H new ATOM 0 HB2 ASP A 81 -13.134 -9.144 -0.389 1.00 43.24 H new ATOM 0 HB3 ASP A 81 -14.822 -8.837 -0.033 1.00 43.24 H new ATOM 1240 N GLU A 82 -12.110 -6.418 0.480 1.00 34.01 N ATOM 1241 CA GLU A 82 -11.559 -5.785 1.712 1.00 32.21 C ATOM 1242 C GLU A 82 -10.696 -4.537 1.395 1.00 72.11 C ATOM 1243 O GLU A 82 -10.233 -4.346 0.260 1.00 33.42 O ATOM 1244 CB GLU A 82 -10.743 -6.826 2.533 1.00 44.11 C ATOM 1245 CG GLU A 82 -11.553 -8.091 2.911 1.00 30.34 C ATOM 1246 CD GLU A 82 -10.872 -9.047 3.914 1.00 51.13 C ATOM 1247 OE1 GLU A 82 -9.635 -8.997 4.088 1.00 13.33 O ATOM 1248 OE2 GLU A 82 -11.585 -9.890 4.502 1.00 65.43 O ATOM 0 H GLU A 82 -11.395 -6.808 -0.134 1.00 34.01 H new ATOM 0 HA GLU A 82 -12.404 -5.443 2.310 1.00 32.21 H new ATOM 0 HB2 GLU A 82 -9.867 -7.124 1.957 1.00 44.11 H new ATOM 0 HB3 GLU A 82 -10.379 -6.352 3.445 1.00 44.11 H new ATOM 0 HG2 GLU A 82 -12.509 -7.776 3.329 1.00 30.34 H new ATOM 0 HG3 GLU A 82 -11.771 -8.646 1.999 1.00 30.34 H new ATOM 1255 N CYS A 83 -10.477 -3.705 2.436 1.00 72.45 N ATOM 1256 CA CYS A 83 -9.746 -2.418 2.340 1.00 34.31 C ATOM 1257 C CYS A 83 -8.869 -2.174 3.596 1.00 2.35 C ATOM 1258 O CYS A 83 -9.312 -2.407 4.724 1.00 12.25 O ATOM 1259 CB CYS A 83 -10.749 -1.255 2.181 1.00 20.34 C ATOM 1260 SG CYS A 83 -11.933 -1.106 3.545 1.00 75.13 S ATOM 0 H CYS A 83 -10.806 -3.909 3.380 1.00 72.45 H new ATOM 0 HA CYS A 83 -9.094 -2.466 1.468 1.00 34.31 H new ATOM 0 HB2 CYS A 83 -10.194 -0.321 2.092 1.00 20.34 H new ATOM 0 HB3 CYS A 83 -11.299 -1.389 1.250 1.00 20.34 H new ATOM 0 HG CYS A 83 -11.399 -1.570 4.636 1.00 75.13 H new ATOM 1266 N ALA A 84 -7.631 -1.697 3.381 1.00 74.34 N ATOM 1267 CA ALA A 84 -6.677 -1.351 4.462 1.00 14.51 C ATOM 1268 C ALA A 84 -6.456 0.181 4.526 1.00 33.21 C ATOM 1269 O ALA A 84 -6.575 0.874 3.507 1.00 22.44 O ATOM 1270 CB ALA A 84 -5.352 -2.090 4.227 1.00 3.11 C ATOM 0 H ALA A 84 -7.256 -1.537 2.446 1.00 74.34 H new ATOM 0 HA ALA A 84 -7.090 -1.664 5.421 1.00 14.51 H new ATOM 0 HB1 ALA A 84 -4.649 -1.837 5.021 1.00 3.11 H new ATOM 0 HB2 ALA A 84 -5.530 -3.165 4.229 1.00 3.11 H new ATOM 0 HB3 ALA A 84 -4.935 -1.793 3.265 1.00 3.11 H new ATOM 1276 N TYR A 85 -6.126 0.706 5.725 1.00 62.10 N ATOM 1277 CA TYR A 85 -5.997 2.169 5.961 1.00 42.34 C ATOM 1278 C TYR A 85 -4.600 2.543 6.524 1.00 34.34 C ATOM 1279 O TYR A 85 -4.131 1.946 7.497 1.00 52.44 O ATOM 1280 CB TYR A 85 -7.092 2.654 6.946 1.00 14.45 C ATOM 1281 CG TYR A 85 -8.539 2.392 6.486 1.00 40.23 C ATOM 1282 CD1 TYR A 85 -9.180 3.255 5.591 1.00 1.12 C ATOM 1283 CD2 TYR A 85 -9.267 1.291 6.958 1.00 3.54 C ATOM 1284 CE1 TYR A 85 -10.481 3.025 5.181 1.00 63.11 C ATOM 1285 CE2 TYR A 85 -10.567 1.063 6.548 1.00 50.11 C ATOM 1286 CZ TYR A 85 -11.169 1.934 5.665 1.00 24.53 C ATOM 1287 OH TYR A 85 -12.468 1.712 5.263 1.00 12.34 O ATOM 0 H TYR A 85 -5.942 0.139 6.552 1.00 62.10 H new ATOM 0 HA TYR A 85 -6.120 2.663 4.997 1.00 42.34 H new ATOM 0 HB2 TYR A 85 -6.938 2.165 7.908 1.00 14.45 H new ATOM 0 HB3 TYR A 85 -6.966 3.724 7.109 1.00 14.45 H new ATOM 0 HD1 TYR A 85 -8.650 4.117 5.213 1.00 1.12 H new ATOM 0 HD2 TYR A 85 -8.804 0.608 7.655 1.00 3.54 H new ATOM 0 HE1 TYR A 85 -10.956 3.699 4.483 1.00 63.11 H new ATOM 0 HE2 TYR A 85 -11.109 0.206 6.918 1.00 50.11 H new ATOM 0 HH TYR A 85 -12.506 0.903 4.711 1.00 12.34 H new ATOM 1297 N PHE A 86 -3.961 3.549 5.903 1.00 32.32 N ATOM 1298 CA PHE A 86 -2.684 4.147 6.364 1.00 4.34 C ATOM 1299 C PHE A 86 -2.925 5.627 6.755 1.00 25.23 C ATOM 1300 O PHE A 86 -3.512 6.387 5.979 1.00 40.34 O ATOM 1301 CB PHE A 86 -1.601 4.101 5.245 1.00 12.45 C ATOM 1302 CG PHE A 86 -1.232 2.704 4.728 1.00 75.13 C ATOM 1303 CD1 PHE A 86 -2.060 2.028 3.829 1.00 43.03 C ATOM 1304 CD2 PHE A 86 -0.043 2.083 5.118 1.00 32.42 C ATOM 1305 CE1 PHE A 86 -1.716 0.782 3.342 1.00 43.33 C ATOM 1306 CE2 PHE A 86 0.299 0.835 4.630 1.00 3.12 C ATOM 1307 CZ PHE A 86 -0.535 0.187 3.741 1.00 51.41 C ATOM 0 H PHE A 86 -4.319 3.981 5.051 1.00 32.32 H new ATOM 0 HA PHE A 86 -2.330 3.572 7.219 1.00 4.34 H new ATOM 0 HB2 PHE A 86 -1.950 4.699 4.403 1.00 12.45 H new ATOM 0 HB3 PHE A 86 -0.697 4.579 5.621 1.00 12.45 H new ATOM 0 HD1 PHE A 86 -2.984 2.487 3.509 1.00 43.03 H new ATOM 0 HD2 PHE A 86 0.618 2.584 5.810 1.00 32.42 H new ATOM 0 HE1 PHE A 86 -2.370 0.273 2.650 1.00 43.33 H new ATOM 0 HE2 PHE A 86 1.220 0.367 4.945 1.00 3.12 H new ATOM 0 HZ PHE A 86 -0.264 -0.785 3.357 1.00 51.41 H new ATOM 1317 N THR A 87 -2.475 6.028 7.954 1.00 33.33 N ATOM 1318 CA THR A 87 -2.458 7.445 8.379 1.00 4.22 C ATOM 1319 C THR A 87 -1.000 7.941 8.416 1.00 44.24 C ATOM 1320 O THR A 87 -0.241 7.621 9.339 1.00 23.21 O ATOM 1321 CB THR A 87 -3.142 7.640 9.782 1.00 53.45 C ATOM 1322 OG1 THR A 87 -4.524 7.258 9.703 1.00 33.41 O ATOM 1323 CG2 THR A 87 -3.049 9.090 10.305 1.00 22.25 C ATOM 0 H THR A 87 -2.113 5.385 8.658 1.00 33.33 H new ATOM 0 HA THR A 87 -3.030 8.031 7.660 1.00 4.22 H new ATOM 0 HB THR A 87 -2.602 7.006 10.485 1.00 53.45 H new ATOM 0 HG1 THR A 87 -4.593 6.280 9.693 1.00 33.41 H new ATOM 0 HG21 THR A 87 -3.539 9.159 11.276 1.00 22.25 H new ATOM 0 HG22 THR A 87 -2.001 9.374 10.406 1.00 22.25 H new ATOM 0 HG23 THR A 87 -3.541 9.763 9.602 1.00 22.25 H new ATOM 1331 N VAL A 88 -0.598 8.687 7.376 1.00 51.44 N ATOM 1332 CA VAL A 88 0.752 9.272 7.282 1.00 72.44 C ATOM 1333 C VAL A 88 0.740 10.707 7.860 1.00 54.15 C ATOM 1334 O VAL A 88 -0.008 11.560 7.385 1.00 74.54 O ATOM 1335 CB VAL A 88 1.281 9.290 5.797 1.00 65.31 C ATOM 1336 CG1 VAL A 88 2.726 9.859 5.711 1.00 51.10 C ATOM 1337 CG2 VAL A 88 1.203 7.877 5.160 1.00 35.14 C ATOM 0 H VAL A 88 -1.196 8.902 6.578 1.00 51.44 H new ATOM 0 HA VAL A 88 1.430 8.647 7.864 1.00 72.44 H new ATOM 0 HB VAL A 88 0.631 9.955 5.228 1.00 65.31 H new ATOM 0 HG11 VAL A 88 3.057 9.856 4.672 1.00 51.10 H new ATOM 0 HG12 VAL A 88 2.738 10.880 6.093 1.00 51.10 H new ATOM 0 HG13 VAL A 88 3.397 9.240 6.307 1.00 51.10 H new ATOM 0 HG21 VAL A 88 1.574 7.919 4.136 1.00 35.14 H new ATOM 0 HG22 VAL A 88 1.812 7.183 5.739 1.00 35.14 H new ATOM 0 HG23 VAL A 88 0.168 7.536 5.157 1.00 35.14 H new ATOM 1347 N THR A 89 1.543 10.949 8.907 1.00 43.34 N ATOM 1348 CA THR A 89 1.710 12.292 9.510 1.00 34.10 C ATOM 1349 C THR A 89 3.192 12.703 9.457 1.00 3.04 C ATOM 1350 O THR A 89 4.056 12.021 10.017 1.00 72.22 O ATOM 1351 CB THR A 89 1.193 12.329 10.990 1.00 71.03 C ATOM 1352 OG1 THR A 89 -0.187 11.905 11.046 1.00 33.45 O ATOM 1353 CG2 THR A 89 1.315 13.734 11.626 1.00 15.21 C ATOM 0 H THR A 89 2.097 10.224 9.363 1.00 43.34 H new ATOM 0 HA THR A 89 1.113 12.998 8.934 1.00 34.10 H new ATOM 0 HB THR A 89 1.824 11.647 11.560 1.00 71.03 H new ATOM 0 HG1 THR A 89 -0.499 11.930 11.975 1.00 33.45 H new ATOM 0 HG21 THR A 89 0.943 13.703 12.650 1.00 15.21 H new ATOM 0 HG22 THR A 89 2.360 14.043 11.628 1.00 15.21 H new ATOM 0 HG23 THR A 89 0.727 14.447 11.048 1.00 15.21 H new ATOM 1361 N ILE A 90 3.475 13.820 8.775 1.00 10.13 N ATOM 1362 CA ILE A 90 4.846 14.346 8.605 1.00 52.22 C ATOM 1363 C ILE A 90 5.284 15.206 9.815 1.00 20.30 C ATOM 1364 O ILE A 90 4.452 15.735 10.567 1.00 53.00 O ATOM 1365 CB ILE A 90 4.948 15.173 7.271 1.00 40.12 C ATOM 1366 CG1 ILE A 90 4.546 14.286 6.042 1.00 61.20 C ATOM 1367 CG2 ILE A 90 6.364 15.772 7.082 1.00 70.42 C ATOM 1368 CD1 ILE A 90 4.492 15.022 4.714 1.00 71.42 C ATOM 0 H ILE A 90 2.761 14.390 8.322 1.00 10.13 H new ATOM 0 HA ILE A 90 5.525 13.496 8.548 1.00 52.22 H new ATOM 0 HB ILE A 90 4.248 16.005 7.339 1.00 40.12 H new ATOM 0 HG12 ILE A 90 5.257 13.464 5.957 1.00 61.20 H new ATOM 0 HG13 ILE A 90 3.569 13.843 6.236 1.00 61.20 H new ATOM 0 HG21 ILE A 90 6.399 16.337 6.150 1.00 70.42 H new ATOM 0 HG22 ILE A 90 6.593 16.434 7.917 1.00 70.42 H new ATOM 0 HG23 ILE A 90 7.098 14.967 7.046 1.00 70.42 H new ATOM 0 HD11 ILE A 90 4.206 14.327 3.924 1.00 71.42 H new ATOM 0 HD12 ILE A 90 3.759 15.826 4.773 1.00 71.42 H new ATOM 0 HD13 ILE A 90 5.473 15.441 4.490 1.00 71.42 H new