USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=17 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 27 CYS SG : rot 23:sc= 1.48 USER MOD Set 1.2: A 77 CYS SG : rot -148:sc= 1.4 USER MOD Single : A 5 HIS : no HD1:sc=-0.000329 X(o=-0.00033,f=-5.1e-06) USER MOD Single : A 12 HIS : no HE2:sc= -0.0177 K(o=-0.018,f=-2.6) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -42:sc= 0.554 USER MOD Single : A 22 CYS SG : rot 31:sc= 0.0791 USER MOD Single : A 24 MET CE :methyl -166:sc= -0.053 (180deg=-0.34) USER MOD Single : A 39 TYR OH : rot -105:sc= 0.0136 USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.45 (180deg=-0.0905) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.107 USER MOD Single : A 55 ASN : amide:sc= 0.586 K(o=0.59,f=-2.2!) USER MOD Single : A 59 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0.018) USER MOD Single : A 67 THR OG1 : rot 83:sc= 0.467 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.27) USER MOD Single : A 83 CYS SG : rot -116:sc= -0.514 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 125:sc= 0.767 USER MOD ----------------------------------------------------------------- ATOM 50 N VAL A 4 -11.354 -11.724 -2.573 1.00 34.21 N ATOM 51 CA VAL A 4 -10.052 -11.015 -2.487 1.00 34.25 C ATOM 52 C VAL A 4 -9.850 -10.355 -1.097 1.00 13.02 C ATOM 53 O VAL A 4 -10.259 -9.215 -0.837 1.00 75.43 O ATOM 54 CB VAL A 4 -9.854 -9.991 -3.676 1.00 41.42 C ATOM 55 CG1 VAL A 4 -11.065 -9.049 -3.842 1.00 42.52 C ATOM 56 CG2 VAL A 4 -8.520 -9.198 -3.528 1.00 14.23 C ATOM 0 HA VAL A 4 -9.269 -11.765 -2.595 1.00 34.25 H new ATOM 0 HB VAL A 4 -9.787 -10.576 -4.593 1.00 41.42 H new ATOM 0 HG11 VAL A 4 -10.883 -8.364 -4.670 1.00 42.52 H new ATOM 0 HG12 VAL A 4 -11.959 -9.638 -4.048 1.00 42.52 H new ATOM 0 HG13 VAL A 4 -11.210 -8.478 -2.925 1.00 42.52 H new ATOM 0 HG21 VAL A 4 -8.415 -8.503 -4.361 1.00 14.23 H new ATOM 0 HG22 VAL A 4 -8.530 -8.642 -2.591 1.00 14.23 H new ATOM 0 HG23 VAL A 4 -7.681 -9.894 -3.528 1.00 14.23 H new ATOM 66 N HIS A 5 -9.236 -11.128 -0.191 1.00 64.02 N ATOM 67 CA HIS A 5 -8.833 -10.660 1.148 1.00 13.43 C ATOM 68 C HIS A 5 -7.440 -9.984 1.115 1.00 62.30 C ATOM 69 O HIS A 5 -6.825 -9.844 0.053 1.00 73.42 O ATOM 70 CB HIS A 5 -8.849 -11.846 2.153 1.00 13.24 C ATOM 71 CG HIS A 5 -10.227 -12.291 2.553 1.00 1.02 C ATOM 72 ND1 HIS A 5 -10.620 -12.424 3.864 1.00 53.14 N ATOM 73 CD2 HIS A 5 -11.302 -12.635 1.812 1.00 1.10 C ATOM 74 CE1 HIS A 5 -11.867 -12.833 3.909 1.00 71.25 C ATOM 75 NE2 HIS A 5 -12.307 -12.967 2.680 1.00 40.15 N ATOM 0 H HIS A 5 -9.002 -12.105 -0.366 1.00 64.02 H new ATOM 0 HA HIS A 5 -9.551 -9.909 1.478 1.00 13.43 H new ATOM 0 HB2 HIS A 5 -8.320 -12.690 1.711 1.00 13.24 H new ATOM 0 HB3 HIS A 5 -8.298 -11.558 3.048 1.00 13.24 H new ATOM 0 HD2 HIS A 5 -11.358 -12.646 0.734 1.00 1.10 H new ATOM 0 HE1 HIS A 5 -12.435 -13.027 4.807 1.00 71.25 H new ATOM 0 HE2 HIS A 5 -13.244 -13.269 2.415 1.00 40.15 H new ATOM 84 N ILE A 6 -6.968 -9.555 2.297 1.00 12.13 N ATOM 85 CA ILE A 6 -5.647 -8.910 2.483 1.00 24.52 C ATOM 86 C ILE A 6 -4.852 -9.662 3.575 1.00 43.52 C ATOM 87 O ILE A 6 -5.305 -9.748 4.723 1.00 2.32 O ATOM 88 CB ILE A 6 -5.811 -7.390 2.880 1.00 51.25 C ATOM 89 CG1 ILE A 6 -6.639 -6.636 1.795 1.00 63.40 C ATOM 90 CG2 ILE A 6 -4.440 -6.705 3.106 1.00 43.44 C ATOM 91 CD1 ILE A 6 -6.853 -5.155 2.041 1.00 44.23 C ATOM 0 H ILE A 6 -7.496 -9.645 3.165 1.00 12.13 H new ATOM 0 HA ILE A 6 -5.102 -8.956 1.540 1.00 24.52 H new ATOM 0 HB ILE A 6 -6.351 -7.347 3.826 1.00 51.25 H new ATOM 0 HG12 ILE A 6 -6.139 -6.757 0.834 1.00 63.40 H new ATOM 0 HG13 ILE A 6 -7.614 -7.116 1.710 1.00 63.40 H new ATOM 0 HG21 ILE A 6 -4.595 -5.661 3.377 1.00 43.44 H new ATOM 0 HG22 ILE A 6 -3.907 -7.213 3.910 1.00 43.44 H new ATOM 0 HG23 ILE A 6 -3.851 -6.758 2.190 1.00 43.44 H new ATOM 0 HD11 ILE A 6 -7.440 -4.732 1.226 1.00 44.23 H new ATOM 0 HD12 ILE A 6 -7.385 -5.016 2.982 1.00 44.23 H new ATOM 0 HD13 ILE A 6 -5.888 -4.651 2.092 1.00 44.23 H new ATOM 103 N VAL A 7 -3.683 -10.224 3.205 1.00 63.41 N ATOM 104 CA VAL A 7 -2.784 -10.916 4.165 1.00 31.13 C ATOM 105 C VAL A 7 -1.819 -9.918 4.853 1.00 23.24 C ATOM 106 O VAL A 7 -1.420 -10.123 5.999 1.00 5.35 O ATOM 107 CB VAL A 7 -1.970 -12.084 3.479 1.00 24.13 C ATOM 108 CG1 VAL A 7 -2.921 -13.203 2.990 1.00 55.14 C ATOM 109 CG2 VAL A 7 -1.074 -11.565 2.321 1.00 22.24 C ATOM 0 H VAL A 7 -3.335 -10.214 2.246 1.00 63.41 H new ATOM 0 HA VAL A 7 -3.423 -11.361 4.928 1.00 31.13 H new ATOM 0 HB VAL A 7 -1.305 -12.505 4.233 1.00 24.13 H new ATOM 0 HG11 VAL A 7 -2.339 -13.996 2.521 1.00 55.14 H new ATOM 0 HG12 VAL A 7 -3.471 -13.610 3.839 1.00 55.14 H new ATOM 0 HG13 VAL A 7 -3.624 -12.792 2.265 1.00 55.14 H new ATOM 0 HG21 VAL A 7 -0.532 -12.401 1.878 1.00 22.24 H new ATOM 0 HG22 VAL A 7 -1.698 -11.093 1.562 1.00 22.24 H new ATOM 0 HG23 VAL A 7 -0.362 -10.837 2.710 1.00 22.24 H new ATOM 119 N ASP A 8 -1.487 -8.826 4.143 1.00 72.40 N ATOM 120 CA ASP A 8 -0.546 -7.792 4.611 1.00 10.41 C ATOM 121 C ASP A 8 -0.976 -6.391 4.068 1.00 3.25 C ATOM 122 O ASP A 8 -1.305 -6.271 2.891 1.00 12.51 O ATOM 123 CB ASP A 8 0.892 -8.142 4.158 1.00 22.12 C ATOM 124 CG ASP A 8 1.918 -7.071 4.561 1.00 31.25 C ATOM 125 OD1 ASP A 8 2.312 -7.019 5.748 1.00 1.44 O ATOM 126 OD2 ASP A 8 2.326 -6.267 3.691 1.00 75.21 O ATOM 0 H ASP A 8 -1.869 -8.634 3.217 1.00 72.40 H new ATOM 0 HA ASP A 8 -0.564 -7.757 5.700 1.00 10.41 H new ATOM 0 HB2 ASP A 8 1.182 -9.099 4.592 1.00 22.12 H new ATOM 0 HB3 ASP A 8 0.908 -8.265 3.075 1.00 22.12 H new ATOM 131 N PRO A 9 -1.009 -5.305 4.906 1.00 61.44 N ATOM 132 CA PRO A 9 -0.696 -5.350 6.362 1.00 3.14 C ATOM 133 C PRO A 9 -1.825 -5.994 7.207 1.00 11.14 C ATOM 134 O PRO A 9 -2.997 -5.998 6.812 1.00 34.42 O ATOM 135 CB PRO A 9 -0.503 -3.862 6.713 1.00 62.30 C ATOM 136 CG PRO A 9 -1.414 -3.140 5.767 1.00 22.52 C ATOM 137 CD PRO A 9 -1.352 -3.923 4.468 1.00 70.00 C ATOM 0 HA PRO A 9 0.173 -5.970 6.580 1.00 3.14 H new ATOM 0 HB2 PRO A 9 -0.766 -3.660 7.751 1.00 62.30 H new ATOM 0 HB3 PRO A 9 0.534 -3.553 6.581 1.00 62.30 H new ATOM 0 HG2 PRO A 9 -2.432 -3.102 6.154 1.00 22.52 H new ATOM 0 HG3 PRO A 9 -1.091 -2.110 5.620 1.00 22.52 H new ATOM 0 HD2 PRO A 9 -2.304 -3.895 3.938 1.00 70.00 H new ATOM 0 HD3 PRO A 9 -0.599 -3.518 3.792 1.00 70.00 H new ATOM 145 N ARG A 10 -1.442 -6.534 8.379 1.00 54.45 N ATOM 146 CA ARG A 10 -2.377 -7.219 9.314 1.00 60.04 C ATOM 147 C ARG A 10 -3.197 -6.210 10.173 1.00 23.25 C ATOM 148 O ARG A 10 -3.978 -6.617 11.043 1.00 61.25 O ATOM 149 CB ARG A 10 -1.601 -8.229 10.228 1.00 64.15 C ATOM 150 CG ARG A 10 -0.981 -9.457 9.495 1.00 64.13 C ATOM 151 CD ARG A 10 0.274 -9.133 8.652 1.00 1.51 C ATOM 152 NE ARG A 10 0.670 -10.274 7.814 1.00 3.33 N ATOM 153 CZ ARG A 10 1.776 -10.375 7.111 1.00 25.35 C ATOM 154 NH1 ARG A 10 2.711 -9.478 7.165 1.00 12.45 N ATOM 155 NH2 ARG A 10 1.932 -11.401 6.344 1.00 65.52 N ATOM 0 H ARG A 10 -0.478 -6.512 8.711 1.00 54.45 H new ATOM 0 HA ARG A 10 -3.092 -7.774 8.707 1.00 60.04 H new ATOM 0 HB2 ARG A 10 -0.802 -7.691 10.738 1.00 64.15 H new ATOM 0 HB3 ARG A 10 -2.282 -8.593 10.998 1.00 64.15 H new ATOM 0 HG2 ARG A 10 -0.721 -10.213 10.236 1.00 64.13 H new ATOM 0 HG3 ARG A 10 -1.737 -9.896 8.844 1.00 64.13 H new ATOM 0 HD2 ARG A 10 0.075 -8.268 8.020 1.00 1.51 H new ATOM 0 HD3 ARG A 10 1.098 -8.863 9.313 1.00 1.51 H new ATOM 0 HE ARG A 10 0.025 -11.063 7.774 1.00 3.33 H new ATOM 0 HH11 ARG A 10 2.601 -8.662 7.767 1.00 12.45 H new ATOM 0 HH12 ARG A 10 3.557 -9.589 6.606 1.00 12.45 H new ATOM 0 HH21 ARG A 10 1.205 -12.114 6.292 1.00 65.52 H new ATOM 0 HH22 ARG A 10 2.783 -11.499 5.790 1.00 65.52 H new ATOM 169 N GLU A 11 -3.015 -4.901 9.898 1.00 3.52 N ATOM 170 CA GLU A 11 -3.738 -3.805 10.579 1.00 61.34 C ATOM 171 C GLU A 11 -3.584 -2.462 9.814 1.00 34.30 C ATOM 172 O GLU A 11 -2.966 -2.400 8.745 1.00 53.15 O ATOM 173 CB GLU A 11 -3.212 -3.625 12.034 1.00 63.13 C ATOM 174 CG GLU A 11 -1.747 -3.142 12.129 1.00 10.34 C ATOM 175 CD GLU A 11 -1.357 -2.736 13.555 1.00 44.13 C ATOM 176 OE1 GLU A 11 -1.866 -1.701 14.038 1.00 71.21 O ATOM 177 OE2 GLU A 11 -0.557 -3.444 14.200 1.00 74.02 O ATOM 0 H GLU A 11 -2.357 -4.572 9.191 1.00 3.52 H new ATOM 0 HA GLU A 11 -4.793 -4.078 10.600 1.00 61.34 H new ATOM 0 HB2 GLU A 11 -3.851 -2.911 12.553 1.00 63.13 H new ATOM 0 HB3 GLU A 11 -3.303 -4.575 12.560 1.00 63.13 H new ATOM 0 HG2 GLU A 11 -1.083 -3.935 11.785 1.00 10.34 H new ATOM 0 HG3 GLU A 11 -1.603 -2.293 11.460 1.00 10.34 H new ATOM 184 N HIS A 12 -4.171 -1.398 10.392 1.00 4.31 N ATOM 185 CA HIS A 12 -3.953 0.002 9.969 1.00 13.44 C ATOM 186 C HIS A 12 -2.499 0.469 10.267 1.00 53.32 C ATOM 187 O HIS A 12 -2.065 0.474 11.424 1.00 32.02 O ATOM 188 CB HIS A 12 -4.996 0.937 10.664 1.00 52.02 C ATOM 189 CG HIS A 12 -5.219 0.705 12.154 1.00 45.32 C ATOM 190 ND1 HIS A 12 -4.352 -0.001 12.976 1.00 23.23 N ATOM 191 CD2 HIS A 12 -6.256 1.063 12.953 1.00 32.40 C ATOM 192 CE1 HIS A 12 -4.849 -0.064 14.193 1.00 64.23 C ATOM 193 NE2 HIS A 12 -5.998 0.573 14.210 1.00 51.15 N ATOM 0 H HIS A 12 -4.818 -1.485 11.176 1.00 4.31 H new ATOM 0 HA HIS A 12 -4.094 0.059 8.890 1.00 13.44 H new ATOM 0 HB2 HIS A 12 -4.679 1.970 10.522 1.00 52.02 H new ATOM 0 HB3 HIS A 12 -5.952 0.824 10.153 1.00 52.02 H new ATOM 0 HD1 HIS A 12 -3.465 -0.409 12.682 1.00 23.23 H new ATOM 0 HD2 HIS A 12 -7.126 1.630 12.655 1.00 32.40 H new ATOM 0 HE1 HIS A 12 -4.389 -0.557 15.037 1.00 64.23 H new ATOM 202 N VAL A 13 -1.751 0.848 9.214 1.00 24.50 N ATOM 203 CA VAL A 13 -0.350 1.311 9.351 1.00 64.33 C ATOM 204 C VAL A 13 -0.289 2.846 9.500 1.00 21.33 C ATOM 205 O VAL A 13 -0.626 3.587 8.569 1.00 62.52 O ATOM 206 CB VAL A 13 0.539 0.865 8.129 1.00 54.33 C ATOM 207 CG1 VAL A 13 2.013 1.349 8.274 1.00 51.20 C ATOM 208 CG2 VAL A 13 0.472 -0.664 7.941 1.00 45.34 C ATOM 0 H VAL A 13 -2.092 0.844 8.253 1.00 24.50 H new ATOM 0 HA VAL A 13 0.049 0.845 10.252 1.00 64.33 H new ATOM 0 HB VAL A 13 0.134 1.341 7.236 1.00 54.33 H new ATOM 0 HG11 VAL A 13 2.591 1.020 7.410 1.00 51.20 H new ATOM 0 HG12 VAL A 13 2.035 2.437 8.332 1.00 51.20 H new ATOM 0 HG13 VAL A 13 2.446 0.929 9.182 1.00 51.20 H new ATOM 0 HG21 VAL A 13 1.092 -0.954 7.093 1.00 45.34 H new ATOM 0 HG22 VAL A 13 0.836 -1.158 8.842 1.00 45.34 H new ATOM 0 HG23 VAL A 13 -0.560 -0.963 7.755 1.00 45.34 H new ATOM 218 N PHE A 14 0.115 3.307 10.694 1.00 75.25 N ATOM 219 CA PHE A 14 0.453 4.720 10.936 1.00 74.32 C ATOM 220 C PHE A 14 1.940 4.948 10.575 1.00 34.22 C ATOM 221 O PHE A 14 2.823 4.260 11.102 1.00 71.14 O ATOM 222 CB PHE A 14 0.181 5.103 12.417 1.00 21.33 C ATOM 223 CG PHE A 14 0.421 6.584 12.737 1.00 15.01 C ATOM 224 CD1 PHE A 14 -0.591 7.526 12.555 1.00 24.31 C ATOM 225 CD2 PHE A 14 1.666 7.038 13.194 1.00 73.21 C ATOM 226 CE1 PHE A 14 -0.376 8.863 12.835 1.00 2.24 C ATOM 227 CE2 PHE A 14 1.878 8.375 13.473 1.00 63.14 C ATOM 228 CZ PHE A 14 0.859 9.288 13.287 1.00 2.21 C ATOM 0 H PHE A 14 0.217 2.713 11.517 1.00 75.25 H new ATOM 0 HA PHE A 14 -0.173 5.356 10.311 1.00 74.32 H new ATOM 0 HB2 PHE A 14 -0.851 4.852 12.662 1.00 21.33 H new ATOM 0 HB3 PHE A 14 0.818 4.496 13.061 1.00 21.33 H new ATOM 0 HD1 PHE A 14 -1.556 7.207 12.190 1.00 24.31 H new ATOM 0 HD2 PHE A 14 2.472 6.332 13.330 1.00 73.21 H new ATOM 0 HE1 PHE A 14 -1.175 9.577 12.700 1.00 2.24 H new ATOM 0 HE2 PHE A 14 2.840 8.705 13.836 1.00 63.14 H new ATOM 0 HZ PHE A 14 1.027 10.334 13.495 1.00 2.21 H new ATOM 238 N VAL A 15 2.206 5.905 9.671 1.00 63.50 N ATOM 239 CA VAL A 15 3.575 6.241 9.226 1.00 43.00 C ATOM 240 C VAL A 15 3.976 7.656 9.700 1.00 32.31 C ATOM 241 O VAL A 15 3.403 8.652 9.257 1.00 3.54 O ATOM 242 CB VAL A 15 3.714 6.163 7.656 1.00 61.44 C ATOM 243 CG1 VAL A 15 5.166 6.485 7.202 1.00 73.03 C ATOM 244 CG2 VAL A 15 3.250 4.785 7.122 1.00 45.30 C ATOM 0 H VAL A 15 1.481 6.469 9.227 1.00 63.50 H new ATOM 0 HA VAL A 15 4.242 5.504 9.673 1.00 43.00 H new ATOM 0 HB VAL A 15 3.060 6.922 7.227 1.00 61.44 H new ATOM 0 HG11 VAL A 15 5.230 6.423 6.116 1.00 73.03 H new ATOM 0 HG12 VAL A 15 5.433 7.491 7.524 1.00 73.03 H new ATOM 0 HG13 VAL A 15 5.854 5.767 7.647 1.00 73.03 H new ATOM 0 HG21 VAL A 15 3.357 4.760 6.038 1.00 45.30 H new ATOM 0 HG22 VAL A 15 3.861 3.999 7.565 1.00 45.30 H new ATOM 0 HG23 VAL A 15 2.205 4.625 7.387 1.00 45.30 H new ATOM 254 N HIS A 16 4.953 7.730 10.616 1.00 14.31 N ATOM 255 CA HIS A 16 5.652 8.985 10.941 1.00 13.11 C ATOM 256 C HIS A 16 6.672 9.273 9.815 1.00 34.14 C ATOM 257 O HIS A 16 7.616 8.501 9.628 1.00 2.04 O ATOM 258 CB HIS A 16 6.363 8.867 12.316 1.00 5.34 C ATOM 259 CG HIS A 16 7.120 10.102 12.734 1.00 74.42 C ATOM 260 ND1 HIS A 16 8.497 10.181 12.730 1.00 70.33 N ATOM 261 CD2 HIS A 16 6.684 11.308 13.174 1.00 32.34 C ATOM 262 CE1 HIS A 16 8.870 11.370 13.145 1.00 0.42 C ATOM 263 NE2 HIS A 16 7.797 12.076 13.420 1.00 30.21 N ATOM 0 H HIS A 16 5.281 6.926 11.151 1.00 14.31 H new ATOM 0 HA HIS A 16 4.940 9.807 11.011 1.00 13.11 H new ATOM 0 HB2 HIS A 16 5.618 8.637 13.078 1.00 5.34 H new ATOM 0 HB3 HIS A 16 7.055 8.026 12.282 1.00 5.34 H new ATOM 0 HD2 HIS A 16 5.655 11.609 13.306 1.00 32.34 H new ATOM 0 HE1 HIS A 16 9.890 11.711 13.244 1.00 0.42 H new ATOM 0 HE2 HIS A 16 7.791 13.037 13.761 1.00 30.21 H new ATOM 272 N ALA A 17 6.460 10.354 9.054 1.00 64.21 N ATOM 273 CA ALA A 17 7.266 10.668 7.853 1.00 11.11 C ATOM 274 C ALA A 17 7.974 12.032 7.961 1.00 32.44 C ATOM 275 O ALA A 17 7.555 12.917 8.711 1.00 31.44 O ATOM 276 CB ALA A 17 6.358 10.635 6.619 1.00 13.52 C ATOM 0 H ALA A 17 5.728 11.038 9.247 1.00 64.21 H new ATOM 0 HA ALA A 17 8.049 9.915 7.765 1.00 11.11 H new ATOM 0 HB1 ALA A 17 6.944 10.865 5.730 1.00 13.52 H new ATOM 0 HB2 ALA A 17 5.919 9.643 6.517 1.00 13.52 H new ATOM 0 HB3 ALA A 17 5.564 11.373 6.732 1.00 13.52 H new ATOM 282 N ILE A 18 9.067 12.171 7.199 1.00 11.43 N ATOM 283 CA ILE A 18 9.814 13.434 7.026 1.00 11.23 C ATOM 284 C ILE A 18 9.771 13.818 5.520 1.00 0.10 C ATOM 285 O ILE A 18 9.832 12.934 4.655 1.00 4.44 O ATOM 286 CB ILE A 18 11.305 13.279 7.532 1.00 34.22 C ATOM 287 CG1 ILE A 18 11.363 12.819 9.030 1.00 72.40 C ATOM 288 CG2 ILE A 18 12.133 14.567 7.323 1.00 64.24 C ATOM 289 CD1 ILE A 18 10.759 13.793 10.035 1.00 4.12 C ATOM 0 H ILE A 18 9.469 11.395 6.673 1.00 11.43 H new ATOM 0 HA ILE A 18 9.356 14.224 7.621 1.00 11.23 H new ATOM 0 HB ILE A 18 11.757 12.498 6.920 1.00 34.22 H new ATOM 0 HG12 ILE A 18 10.846 11.863 9.120 1.00 72.40 H new ATOM 0 HG13 ILE A 18 12.405 12.645 9.299 1.00 72.40 H new ATOM 0 HG21 ILE A 18 13.149 14.410 7.686 1.00 64.24 H new ATOM 0 HG22 ILE A 18 12.161 14.813 6.262 1.00 64.24 H new ATOM 0 HG23 ILE A 18 11.674 15.388 7.874 1.00 64.24 H new ATOM 0 HD11 ILE A 18 10.850 13.381 11.040 1.00 4.12 H new ATOM 0 HD12 ILE A 18 11.289 14.744 9.983 1.00 4.12 H new ATOM 0 HD13 ILE A 18 9.706 13.951 9.801 1.00 4.12 H new ATOM 301 N THR A 19 9.668 15.131 5.231 1.00 30.05 N ATOM 302 CA THR A 19 9.438 15.667 3.860 1.00 73.32 C ATOM 303 C THR A 19 10.532 15.237 2.847 1.00 43.34 C ATOM 304 O THR A 19 10.230 14.802 1.730 1.00 42.52 O ATOM 305 CB THR A 19 9.320 17.234 3.886 1.00 2.15 C ATOM 306 OG1 THR A 19 8.268 17.631 4.788 1.00 11.22 O ATOM 307 CG2 THR A 19 9.038 17.831 2.493 1.00 71.24 C ATOM 0 H THR A 19 9.741 15.859 5.941 1.00 30.05 H new ATOM 0 HA THR A 19 8.497 15.235 3.519 1.00 73.32 H new ATOM 0 HB THR A 19 10.282 17.618 4.224 1.00 2.15 H new ATOM 0 HG1 THR A 19 8.200 18.609 4.801 1.00 11.22 H new ATOM 0 HG21 THR A 19 8.966 18.916 2.570 1.00 71.24 H new ATOM 0 HG22 THR A 19 9.849 17.568 1.814 1.00 71.24 H new ATOM 0 HG23 THR A 19 8.099 17.432 2.109 1.00 71.24 H new ATOM 315 N SER A 20 11.802 15.330 3.271 1.00 41.43 N ATOM 316 CA SER A 20 12.978 15.025 2.407 1.00 34.41 C ATOM 317 C SER A 20 13.374 13.518 2.447 1.00 64.54 C ATOM 318 O SER A 20 14.420 13.128 1.910 1.00 34.45 O ATOM 319 CB SER A 20 14.171 15.913 2.842 1.00 61.14 C ATOM 320 OG SER A 20 15.281 15.782 1.963 1.00 71.22 O ATOM 0 H SER A 20 12.054 15.617 4.217 1.00 41.43 H new ATOM 0 HA SER A 20 12.704 15.245 1.375 1.00 34.41 H new ATOM 0 HB2 SER A 20 13.854 16.956 2.873 1.00 61.14 H new ATOM 0 HB3 SER A 20 14.475 15.642 3.853 1.00 61.14 H new ATOM 0 HG SER A 20 15.401 14.839 1.726 1.00 71.22 H new ATOM 326 N GLU A 21 12.536 12.674 3.083 1.00 3.23 N ATOM 327 CA GLU A 21 12.759 11.205 3.173 1.00 42.33 C ATOM 328 C GLU A 21 11.778 10.421 2.271 1.00 71.20 C ATOM 329 O GLU A 21 10.726 10.938 1.869 1.00 51.14 O ATOM 330 CB GLU A 21 12.628 10.733 4.651 1.00 12.11 C ATOM 331 CG GLU A 21 13.683 11.326 5.610 1.00 11.31 C ATOM 332 CD GLU A 21 15.129 10.916 5.272 1.00 72.01 C ATOM 333 OE1 GLU A 21 15.566 9.825 5.698 1.00 72.33 O ATOM 334 OE2 GLU A 21 15.835 11.677 4.579 1.00 50.23 O ATOM 0 H GLU A 21 11.684 12.985 3.550 1.00 3.23 H new ATOM 0 HA GLU A 21 13.769 11.000 2.818 1.00 42.33 H new ATOM 0 HB2 GLU A 21 11.635 10.996 5.016 1.00 12.11 H new ATOM 0 HB3 GLU A 21 12.700 9.646 4.679 1.00 12.11 H new ATOM 0 HG2 GLU A 21 13.609 12.413 5.589 1.00 11.31 H new ATOM 0 HG3 GLU A 21 13.454 11.010 6.628 1.00 11.31 H new ATOM 341 N CYS A 22 12.141 9.158 1.969 1.00 2.13 N ATOM 342 CA CYS A 22 11.337 8.253 1.120 1.00 70.40 C ATOM 343 C CYS A 22 10.463 7.307 1.973 1.00 10.01 C ATOM 344 O CYS A 22 10.974 6.591 2.839 1.00 35.35 O ATOM 345 CB CYS A 22 12.264 7.430 0.191 1.00 53.23 C ATOM 346 SG CYS A 22 13.438 6.349 1.045 1.00 21.33 S ATOM 0 H CYS A 22 13.004 8.734 2.309 1.00 2.13 H new ATOM 0 HA CYS A 22 10.672 8.866 0.512 1.00 70.40 H new ATOM 0 HB2 CYS A 22 11.645 6.821 -0.468 1.00 53.23 H new ATOM 0 HB3 CYS A 22 12.822 8.119 -0.443 1.00 53.23 H new ATOM 0 HG CYS A 22 12.923 5.952 2.170 1.00 21.33 H new ATOM 352 N VAL A 23 9.137 7.317 1.733 1.00 74.22 N ATOM 353 CA VAL A 23 8.176 6.415 2.410 1.00 64.22 C ATOM 354 C VAL A 23 7.619 5.359 1.424 1.00 11.44 C ATOM 355 O VAL A 23 7.021 5.700 0.400 1.00 43.33 O ATOM 356 CB VAL A 23 6.993 7.231 3.062 1.00 23.11 C ATOM 357 CG1 VAL A 23 5.859 6.304 3.583 1.00 4.34 C ATOM 358 CG2 VAL A 23 7.526 8.151 4.194 1.00 44.23 C ATOM 0 H VAL A 23 8.699 7.950 1.064 1.00 74.22 H new ATOM 0 HA VAL A 23 8.714 5.897 3.204 1.00 64.22 H new ATOM 0 HB VAL A 23 6.557 7.855 2.282 1.00 23.11 H new ATOM 0 HG11 VAL A 23 5.067 6.910 4.023 1.00 4.34 H new ATOM 0 HG12 VAL A 23 5.454 5.724 2.754 1.00 4.34 H new ATOM 0 HG13 VAL A 23 6.260 5.627 4.338 1.00 4.34 H new ATOM 0 HG21 VAL A 23 6.697 8.706 4.632 1.00 44.23 H new ATOM 0 HG22 VAL A 23 8.002 7.543 4.963 1.00 44.23 H new ATOM 0 HG23 VAL A 23 8.253 8.850 3.782 1.00 44.23 H new ATOM 368 N MET A 24 7.840 4.074 1.746 1.00 74.44 N ATOM 369 CA MET A 24 7.253 2.937 1.012 1.00 33.22 C ATOM 370 C MET A 24 6.033 2.381 1.785 1.00 42.13 C ATOM 371 O MET A 24 6.185 1.727 2.826 1.00 40.24 O ATOM 372 CB MET A 24 8.319 1.826 0.803 1.00 15.42 C ATOM 373 CG MET A 24 7.817 0.591 0.036 1.00 64.10 C ATOM 374 SD MET A 24 9.051 -0.726 -0.049 1.00 12.33 S ATOM 375 CE MET A 24 10.380 0.063 -0.953 1.00 45.40 C ATOM 0 H MET A 24 8.433 3.792 2.526 1.00 74.44 H new ATOM 0 HA MET A 24 6.918 3.281 0.034 1.00 33.22 H new ATOM 0 HB2 MET A 24 9.167 2.251 0.266 1.00 15.42 H new ATOM 0 HB3 MET A 24 8.687 1.507 1.778 1.00 15.42 H new ATOM 0 HG2 MET A 24 6.917 0.210 0.519 1.00 64.10 H new ATOM 0 HG3 MET A 24 7.536 0.886 -0.975 1.00 64.10 H new ATOM 0 HE1 MET A 24 11.089 -0.693 -1.291 1.00 45.40 H new ATOM 0 HE2 MET A 24 9.971 0.589 -1.816 1.00 45.40 H new ATOM 0 HE3 MET A 24 10.890 0.774 -0.303 1.00 45.40 H new ATOM 385 N LEU A 25 4.830 2.687 1.285 1.00 31.24 N ATOM 386 CA LEU A 25 3.565 2.125 1.796 1.00 34.20 C ATOM 387 C LEU A 25 3.380 0.691 1.253 1.00 42.45 C ATOM 388 O LEU A 25 2.961 0.503 0.107 1.00 15.41 O ATOM 389 CB LEU A 25 2.392 3.036 1.353 1.00 3.41 C ATOM 390 CG LEU A 25 2.471 4.517 1.834 1.00 25.13 C ATOM 391 CD1 LEU A 25 1.417 5.386 1.130 1.00 25.54 C ATOM 392 CD2 LEU A 25 2.348 4.615 3.375 1.00 33.44 C ATOM 0 H LEU A 25 4.701 3.336 0.509 1.00 31.24 H new ATOM 0 HA LEU A 25 3.586 2.080 2.885 1.00 34.20 H new ATOM 0 HB2 LEU A 25 2.341 3.029 0.264 1.00 3.41 H new ATOM 0 HB3 LEU A 25 1.461 2.603 1.719 1.00 3.41 H new ATOM 0 HG LEU A 25 3.453 4.903 1.559 1.00 25.13 H new ATOM 0 HD11 LEU A 25 1.496 6.413 1.485 1.00 25.54 H new ATOM 0 HD12 LEU A 25 1.585 5.361 0.053 1.00 25.54 H new ATOM 0 HD13 LEU A 25 0.421 5.001 1.351 1.00 25.54 H new ATOM 0 HD21 LEU A 25 2.407 5.660 3.679 1.00 33.44 H new ATOM 0 HD22 LEU A 25 1.392 4.198 3.691 1.00 33.44 H new ATOM 0 HD23 LEU A 25 3.159 4.055 3.841 1.00 33.44 H new ATOM 404 N ALA A 26 3.722 -0.310 2.077 1.00 15.21 N ATOM 405 CA ALA A 26 3.740 -1.732 1.669 1.00 35.22 C ATOM 406 C ALA A 26 2.376 -2.420 1.930 1.00 41.11 C ATOM 407 O ALA A 26 1.833 -2.338 3.035 1.00 42.44 O ATOM 408 CB ALA A 26 4.876 -2.461 2.405 1.00 1.44 C ATOM 0 H ALA A 26 3.995 -0.161 3.048 1.00 15.21 H new ATOM 0 HA ALA A 26 3.918 -1.782 0.595 1.00 35.22 H new ATOM 0 HB1 ALA A 26 4.890 -3.509 2.105 1.00 1.44 H new ATOM 0 HB2 ALA A 26 5.830 -1.998 2.152 1.00 1.44 H new ATOM 0 HB3 ALA A 26 4.715 -2.394 3.481 1.00 1.44 H new ATOM 414 N CYS A 27 1.830 -3.080 0.889 1.00 50.24 N ATOM 415 CA CYS A 27 0.574 -3.859 0.980 1.00 62.22 C ATOM 416 C CYS A 27 0.626 -5.089 0.048 1.00 74.04 C ATOM 417 O CYS A 27 0.924 -4.972 -1.144 1.00 74.23 O ATOM 418 CB CYS A 27 -0.645 -2.985 0.619 1.00 44.23 C ATOM 419 SG CYS A 27 -2.232 -3.849 0.723 1.00 61.35 S ATOM 0 H CYS A 27 2.247 -3.089 -0.042 1.00 50.24 H new ATOM 0 HA CYS A 27 0.469 -4.198 2.010 1.00 62.22 H new ATOM 0 HB2 CYS A 27 -0.669 -2.122 1.284 1.00 44.23 H new ATOM 0 HB3 CYS A 27 -0.517 -2.603 -0.394 1.00 44.23 H new ATOM 0 HG CYS A 27 -2.122 -4.862 1.530 1.00 61.35 H new ATOM 425 N GLU A 28 0.364 -6.267 0.614 1.00 24.11 N ATOM 426 CA GLU A 28 0.304 -7.548 -0.114 1.00 34.10 C ATOM 427 C GLU A 28 -1.062 -8.229 0.159 1.00 13.53 C ATOM 428 O GLU A 28 -1.369 -8.564 1.299 1.00 71.10 O ATOM 429 CB GLU A 28 1.476 -8.433 0.384 1.00 44.13 C ATOM 430 CG GLU A 28 1.626 -9.799 -0.311 1.00 61.43 C ATOM 431 CD GLU A 28 2.648 -10.720 0.391 1.00 51.51 C ATOM 432 OE1 GLU A 28 3.780 -10.265 0.672 1.00 3.54 O ATOM 433 OE2 GLU A 28 2.330 -11.898 0.657 1.00 0.41 O ATOM 0 H GLU A 28 0.183 -6.366 1.613 1.00 24.11 H new ATOM 0 HA GLU A 28 0.396 -7.395 -1.189 1.00 34.10 H new ATOM 0 HB2 GLU A 28 2.405 -7.878 0.257 1.00 44.13 H new ATOM 0 HB3 GLU A 28 1.350 -8.602 1.453 1.00 44.13 H new ATOM 0 HG2 GLU A 28 0.656 -10.295 -0.339 1.00 61.43 H new ATOM 0 HG3 GLU A 28 1.934 -9.643 -1.345 1.00 61.43 H new ATOM 440 N VAL A 29 -1.889 -8.421 -0.880 1.00 42.31 N ATOM 441 CA VAL A 29 -3.229 -9.046 -0.729 1.00 54.43 C ATOM 442 C VAL A 29 -3.166 -10.581 -0.877 1.00 41.31 C ATOM 443 O VAL A 29 -2.147 -11.137 -1.277 1.00 42.32 O ATOM 444 CB VAL A 29 -4.274 -8.436 -1.740 1.00 34.43 C ATOM 445 CG1 VAL A 29 -4.479 -6.923 -1.471 1.00 61.41 C ATOM 446 CG2 VAL A 29 -3.869 -8.709 -3.215 1.00 3.13 C ATOM 0 H VAL A 29 -1.661 -8.155 -1.838 1.00 42.31 H new ATOM 0 HA VAL A 29 -3.566 -8.820 0.283 1.00 54.43 H new ATOM 0 HB VAL A 29 -5.229 -8.935 -1.577 1.00 34.43 H new ATOM 0 HG11 VAL A 29 -5.204 -6.522 -2.180 1.00 61.41 H new ATOM 0 HG12 VAL A 29 -4.848 -6.781 -0.455 1.00 61.41 H new ATOM 0 HG13 VAL A 29 -3.530 -6.401 -1.589 1.00 61.41 H new ATOM 0 HG21 VAL A 29 -4.612 -8.274 -3.883 1.00 3.13 H new ATOM 0 HG22 VAL A 29 -2.896 -8.260 -3.414 1.00 3.13 H new ATOM 0 HG23 VAL A 29 -3.814 -9.784 -3.384 1.00 3.13 H new ATOM 456 N ASP A 30 -4.272 -11.249 -0.528 1.00 13.31 N ATOM 457 CA ASP A 30 -4.399 -12.718 -0.611 1.00 74.43 C ATOM 458 C ASP A 30 -4.627 -13.192 -2.074 1.00 32.35 C ATOM 459 O ASP A 30 -4.031 -14.183 -2.518 1.00 14.12 O ATOM 460 CB ASP A 30 -5.566 -13.170 0.305 1.00 52.31 C ATOM 461 CG ASP A 30 -5.806 -14.693 0.291 1.00 2.34 C ATOM 462 OD1 ASP A 30 -4.998 -15.437 0.884 1.00 42.11 O ATOM 463 OD2 ASP A 30 -6.808 -15.148 -0.305 1.00 10.41 O ATOM 0 H ASP A 30 -5.111 -10.788 -0.178 1.00 13.31 H new ATOM 0 HA ASP A 30 -3.468 -13.174 -0.274 1.00 74.43 H new ATOM 0 HB2 ASP A 30 -5.359 -12.852 1.327 1.00 52.31 H new ATOM 0 HB3 ASP A 30 -6.479 -12.664 -0.007 1.00 52.31 H new ATOM 468 N ARG A 31 -5.486 -12.466 -2.818 1.00 23.11 N ATOM 469 CA ARG A 31 -5.911 -12.879 -4.177 1.00 42.21 C ATOM 470 C ARG A 31 -5.111 -12.115 -5.253 1.00 33.54 C ATOM 471 O ARG A 31 -5.256 -10.894 -5.400 1.00 61.34 O ATOM 472 CB ARG A 31 -7.433 -12.642 -4.381 1.00 60.12 C ATOM 473 CG ARG A 31 -8.074 -13.450 -5.540 1.00 31.33 C ATOM 474 CD ARG A 31 -8.175 -14.944 -5.191 1.00 50.40 C ATOM 475 NE ARG A 31 -8.514 -15.786 -6.338 1.00 70.13 N ATOM 476 CZ ARG A 31 -8.423 -17.103 -6.357 1.00 2.51 C ATOM 477 NH1 ARG A 31 -8.053 -17.771 -5.303 1.00 24.41 N ATOM 478 NH2 ARG A 31 -8.666 -17.739 -7.446 1.00 61.10 N ATOM 0 H ARG A 31 -5.901 -11.589 -2.503 1.00 23.11 H new ATOM 0 HA ARG A 31 -5.710 -13.946 -4.278 1.00 42.21 H new ATOM 0 HB2 ARG A 31 -7.951 -12.891 -3.455 1.00 60.12 H new ATOM 0 HB3 ARG A 31 -7.599 -11.580 -4.564 1.00 60.12 H new ATOM 0 HG2 ARG A 31 -9.068 -13.057 -5.754 1.00 31.33 H new ATOM 0 HG3 ARG A 31 -7.480 -13.325 -6.445 1.00 31.33 H new ATOM 0 HD2 ARG A 31 -7.225 -15.277 -4.773 1.00 50.40 H new ATOM 0 HD3 ARG A 31 -8.929 -15.078 -4.415 1.00 50.40 H new ATOM 0 HE ARG A 31 -8.845 -15.322 -7.184 1.00 70.13 H new ATOM 0 HH11 ARG A 31 -7.826 -17.277 -4.440 1.00 24.41 H new ATOM 0 HH12 ARG A 31 -7.990 -18.788 -5.340 1.00 24.41 H new ATOM 0 HH21 ARG A 31 -8.927 -17.227 -8.288 1.00 61.10 H new ATOM 0 HH22 ARG A 31 -8.598 -18.756 -7.468 1.00 61.10 H new ATOM 492 N GLU A 32 -4.278 -12.856 -5.996 1.00 13.10 N ATOM 493 CA GLU A 32 -3.449 -12.314 -7.093 1.00 43.14 C ATOM 494 C GLU A 32 -4.309 -11.796 -8.286 1.00 0.33 C ATOM 495 O GLU A 32 -3.972 -10.780 -8.905 1.00 55.43 O ATOM 496 CB GLU A 32 -2.461 -13.416 -7.562 1.00 11.53 C ATOM 497 CG GLU A 32 -1.568 -13.029 -8.758 1.00 14.10 C ATOM 498 CD GLU A 32 -0.539 -14.110 -9.131 1.00 13.52 C ATOM 499 OE1 GLU A 32 0.567 -14.128 -8.545 1.00 23.13 O ATOM 500 OE2 GLU A 32 -0.830 -14.942 -10.011 1.00 70.42 O ATOM 0 H GLU A 32 -4.156 -13.859 -5.855 1.00 13.10 H new ATOM 0 HA GLU A 32 -2.898 -11.452 -6.717 1.00 43.14 H new ATOM 0 HB2 GLU A 32 -1.820 -13.688 -6.723 1.00 11.53 H new ATOM 0 HB3 GLU A 32 -3.033 -14.305 -7.828 1.00 11.53 H new ATOM 0 HG2 GLU A 32 -2.200 -12.827 -9.623 1.00 14.10 H new ATOM 0 HG3 GLU A 32 -1.042 -12.103 -8.524 1.00 14.10 H new ATOM 507 N ASP A 33 -5.425 -12.499 -8.575 1.00 2.53 N ATOM 508 CA ASP A 33 -6.323 -12.208 -9.734 1.00 54.35 C ATOM 509 C ASP A 33 -6.871 -10.754 -9.754 1.00 51.44 C ATOM 510 O ASP A 33 -7.115 -10.190 -10.829 1.00 60.23 O ATOM 511 CB ASP A 33 -7.509 -13.204 -9.734 1.00 40.24 C ATOM 512 CG ASP A 33 -7.055 -14.667 -9.719 1.00 73.22 C ATOM 513 OD1 ASP A 33 -6.853 -15.219 -8.620 1.00 61.44 O ATOM 514 OD2 ASP A 33 -6.880 -15.268 -10.799 1.00 4.13 O ATOM 0 H ASP A 33 -5.738 -13.291 -8.013 1.00 2.53 H new ATOM 0 HA ASP A 33 -5.714 -12.323 -10.631 1.00 54.35 H new ATOM 0 HB2 ASP A 33 -8.137 -13.014 -8.864 1.00 40.24 H new ATOM 0 HB3 ASP A 33 -8.125 -13.028 -10.616 1.00 40.24 H new ATOM 519 N ALA A 34 -7.063 -10.161 -8.562 1.00 64.31 N ATOM 520 CA ALA A 34 -7.631 -8.804 -8.421 1.00 0.23 C ATOM 521 C ALA A 34 -6.530 -7.711 -8.492 1.00 74.35 C ATOM 522 O ALA A 34 -5.578 -7.747 -7.700 1.00 22.44 O ATOM 523 CB ALA A 34 -8.405 -8.703 -7.102 1.00 10.42 C ATOM 0 H ALA A 34 -6.831 -10.604 -7.673 1.00 64.31 H new ATOM 0 HA ALA A 34 -8.312 -8.632 -9.254 1.00 0.23 H new ATOM 0 HB1 ALA A 34 -8.823 -7.701 -7.001 1.00 10.42 H new ATOM 0 HB2 ALA A 34 -9.213 -9.435 -7.097 1.00 10.42 H new ATOM 0 HB3 ALA A 34 -7.731 -8.901 -6.269 1.00 10.42 H new ATOM 529 N PRO A 35 -6.637 -6.717 -9.443 1.00 51.51 N ATOM 530 CA PRO A 35 -5.735 -5.544 -9.485 1.00 23.43 C ATOM 531 C PRO A 35 -6.178 -4.484 -8.444 1.00 14.50 C ATOM 532 O PRO A 35 -6.935 -3.561 -8.764 1.00 75.15 O ATOM 533 CB PRO A 35 -5.862 -5.022 -10.957 1.00 63.43 C ATOM 534 CG PRO A 35 -6.862 -5.934 -11.638 1.00 43.12 C ATOM 535 CD PRO A 35 -7.627 -6.645 -10.541 1.00 10.20 C ATOM 0 HA PRO A 35 -4.702 -5.782 -9.231 1.00 23.43 H new ATOM 0 HB2 PRO A 35 -6.202 -3.987 -10.976 1.00 63.43 H new ATOM 0 HB3 PRO A 35 -4.898 -5.050 -11.466 1.00 63.43 H new ATOM 0 HG2 PRO A 35 -7.539 -5.361 -12.271 1.00 43.12 H new ATOM 0 HG3 PRO A 35 -6.354 -6.652 -12.282 1.00 43.12 H new ATOM 0 HD2 PRO A 35 -8.519 -6.092 -10.246 1.00 10.20 H new ATOM 0 HD3 PRO A 35 -7.956 -7.636 -10.854 1.00 10.20 H new ATOM 543 N VAL A 36 -5.728 -4.656 -7.187 1.00 1.01 N ATOM 544 CA VAL A 36 -6.194 -3.825 -6.052 1.00 4.42 C ATOM 545 C VAL A 36 -5.635 -2.380 -6.142 1.00 14.50 C ATOM 546 O VAL A 36 -4.554 -2.146 -6.702 1.00 61.13 O ATOM 547 CB VAL A 36 -5.855 -4.497 -4.665 1.00 2.41 C ATOM 548 CG1 VAL A 36 -6.269 -5.995 -4.672 1.00 14.32 C ATOM 549 CG2 VAL A 36 -4.372 -4.322 -4.265 1.00 31.31 C ATOM 0 H VAL A 36 -5.041 -5.364 -6.928 1.00 1.01 H new ATOM 0 HA VAL A 36 -7.280 -3.757 -6.119 1.00 4.42 H new ATOM 0 HB VAL A 36 -6.438 -3.979 -3.903 1.00 2.41 H new ATOM 0 HG11 VAL A 36 -6.028 -6.444 -3.708 1.00 14.32 H new ATOM 0 HG12 VAL A 36 -7.341 -6.075 -4.852 1.00 14.32 H new ATOM 0 HG13 VAL A 36 -5.728 -6.518 -5.461 1.00 14.32 H new ATOM 0 HG21 VAL A 36 -4.195 -4.803 -3.303 1.00 31.31 H new ATOM 0 HG22 VAL A 36 -3.735 -4.779 -5.022 1.00 31.31 H new ATOM 0 HG23 VAL A 36 -4.139 -3.260 -4.187 1.00 31.31 H new ATOM 559 N ARG A 37 -6.376 -1.421 -5.568 1.00 55.33 N ATOM 560 CA ARG A 37 -6.202 0.021 -5.862 1.00 33.31 C ATOM 561 C ARG A 37 -5.927 0.856 -4.592 1.00 10.14 C ATOM 562 O ARG A 37 -6.496 0.607 -3.532 1.00 54.32 O ATOM 563 CB ARG A 37 -7.457 0.586 -6.606 1.00 71.12 C ATOM 564 CG ARG A 37 -8.826 0.374 -5.901 1.00 73.41 C ATOM 565 CD ARG A 37 -9.402 -1.047 -6.065 1.00 12.43 C ATOM 566 NE ARG A 37 -9.633 -1.394 -7.477 1.00 22.30 N ATOM 567 CZ ARG A 37 -9.814 -2.608 -7.956 1.00 42.41 C ATOM 568 NH1 ARG A 37 -9.829 -3.657 -7.183 1.00 4.42 N ATOM 569 NH2 ARG A 37 -9.991 -2.759 -9.224 1.00 41.44 N ATOM 0 H ARG A 37 -7.112 -1.615 -4.889 1.00 55.33 H new ATOM 0 HA ARG A 37 -5.326 0.105 -6.506 1.00 33.31 H new ATOM 0 HB2 ARG A 37 -7.312 1.656 -6.758 1.00 71.12 H new ATOM 0 HB3 ARG A 37 -7.505 0.127 -7.593 1.00 71.12 H new ATOM 0 HG2 ARG A 37 -8.713 0.589 -4.838 1.00 73.41 H new ATOM 0 HG3 ARG A 37 -9.543 1.093 -6.297 1.00 73.41 H new ATOM 0 HD2 ARG A 37 -8.715 -1.769 -5.623 1.00 12.43 H new ATOM 0 HD3 ARG A 37 -10.341 -1.122 -5.516 1.00 12.43 H new ATOM 0 HE ARG A 37 -9.655 -0.624 -8.146 1.00 22.30 H new ATOM 0 HH11 ARG A 37 -9.698 -3.551 -6.177 1.00 4.42 H new ATOM 0 HH12 ARG A 37 -9.971 -4.584 -7.584 1.00 4.42 H new ATOM 0 HH21 ARG A 37 -9.989 -1.946 -9.840 1.00 41.44 H new ATOM 0 HH22 ARG A 37 -10.133 -3.692 -9.612 1.00 41.44 H new ATOM 583 N TRP A 38 -5.045 1.850 -4.745 1.00 70.30 N ATOM 584 CA TRP A 38 -4.731 2.857 -3.713 1.00 21.23 C ATOM 585 C TRP A 38 -5.574 4.137 -3.948 1.00 62.24 C ATOM 586 O TRP A 38 -5.737 4.571 -5.084 1.00 42.42 O ATOM 587 CB TRP A 38 -3.220 3.201 -3.782 1.00 15.54 C ATOM 588 CG TRP A 38 -2.304 2.075 -3.364 1.00 3.12 C ATOM 589 CD1 TRP A 38 -1.819 1.048 -4.133 1.00 43.04 C ATOM 590 CD2 TRP A 38 -1.768 1.881 -2.057 1.00 33.43 C ATOM 591 NE1 TRP A 38 -1.014 0.237 -3.374 1.00 40.41 N ATOM 592 CE2 TRP A 38 -0.969 0.731 -2.097 1.00 75.44 C ATOM 593 CE3 TRP A 38 -1.890 2.583 -0.857 1.00 43.23 C ATOM 594 CZ2 TRP A 38 -0.297 0.258 -0.982 1.00 1.55 C ATOM 595 CZ3 TRP A 38 -1.224 2.117 0.249 1.00 20.14 C ATOM 596 CH2 TRP A 38 -0.432 0.962 0.181 1.00 62.45 C ATOM 0 H TRP A 38 -4.516 1.984 -5.607 1.00 70.30 H new ATOM 0 HA TRP A 38 -4.970 2.456 -2.728 1.00 21.23 H new ATOM 0 HB2 TRP A 38 -2.973 3.494 -4.802 1.00 15.54 H new ATOM 0 HB3 TRP A 38 -3.027 4.065 -3.146 1.00 15.54 H new ATOM 0 HD1 TRP A 38 -2.038 0.900 -5.180 1.00 43.04 H new ATOM 0 HE1 TRP A 38 -0.529 -0.597 -3.706 1.00 40.41 H new ATOM 0 HE3 TRP A 38 -2.496 3.475 -0.800 1.00 43.23 H new ATOM 0 HZ2 TRP A 38 0.311 -0.634 -1.030 1.00 1.55 H new ATOM 0 HZ3 TRP A 38 -1.311 2.648 1.185 1.00 20.14 H new ATOM 0 HH2 TRP A 38 0.083 0.621 1.067 1.00 62.45 H new ATOM 607 N TYR A 39 -6.114 4.733 -2.872 1.00 32.21 N ATOM 608 CA TYR A 39 -6.815 6.045 -2.937 1.00 52.32 C ATOM 609 C TYR A 39 -6.100 7.082 -2.051 1.00 40.04 C ATOM 610 O TYR A 39 -5.880 6.838 -0.869 1.00 51.12 O ATOM 611 CB TYR A 39 -8.299 5.890 -2.493 1.00 65.33 C ATOM 612 CG TYR A 39 -9.209 5.278 -3.562 1.00 20.30 C ATOM 613 CD1 TYR A 39 -9.344 3.896 -3.709 1.00 25.42 C ATOM 614 CD2 TYR A 39 -9.924 6.095 -4.441 1.00 41.42 C ATOM 615 CE1 TYR A 39 -10.151 3.363 -4.694 1.00 64.12 C ATOM 616 CE2 TYR A 39 -10.734 5.562 -5.421 1.00 42.23 C ATOM 617 CZ TYR A 39 -10.844 4.197 -5.544 1.00 64.12 C ATOM 618 OH TYR A 39 -11.628 3.666 -6.543 1.00 32.53 O ATOM 0 H TYR A 39 -6.083 4.330 -1.935 1.00 32.21 H new ATOM 0 HA TYR A 39 -6.794 6.396 -3.969 1.00 52.32 H new ATOM 0 HB2 TYR A 39 -8.337 5.268 -1.599 1.00 65.33 H new ATOM 0 HB3 TYR A 39 -8.689 6.870 -2.216 1.00 65.33 H new ATOM 0 HD1 TYR A 39 -8.810 3.235 -3.043 1.00 25.42 H new ATOM 0 HD2 TYR A 39 -9.840 7.168 -4.351 1.00 41.42 H new ATOM 0 HE1 TYR A 39 -10.239 2.292 -4.798 1.00 64.12 H new ATOM 0 HE2 TYR A 39 -11.279 6.213 -6.088 1.00 42.23 H new ATOM 0 HH TYR A 39 -11.180 3.781 -7.407 1.00 32.53 H new ATOM 628 N LYS A 40 -5.760 8.252 -2.630 1.00 45.04 N ATOM 629 CA LYS A 40 -5.134 9.364 -1.880 1.00 43.13 C ATOM 630 C LYS A 40 -6.244 10.347 -1.450 1.00 54.11 C ATOM 631 O LYS A 40 -6.686 11.162 -2.253 1.00 32.14 O ATOM 632 CB LYS A 40 -4.026 10.073 -2.743 1.00 55.30 C ATOM 633 CG LYS A 40 -2.893 10.740 -1.918 1.00 44.44 C ATOM 634 CD LYS A 40 -3.337 11.994 -1.119 1.00 34.54 C ATOM 635 CE LYS A 40 -2.410 12.307 0.053 1.00 32.33 C ATOM 636 NZ LYS A 40 -2.802 13.552 0.763 1.00 3.44 N ATOM 0 H LYS A 40 -5.909 8.453 -3.619 1.00 45.04 H new ATOM 0 HA LYS A 40 -4.633 8.979 -0.991 1.00 43.13 H new ATOM 0 HB2 LYS A 40 -3.583 9.339 -3.416 1.00 55.30 H new ATOM 0 HB3 LYS A 40 -4.499 10.832 -3.366 1.00 55.30 H new ATOM 0 HG2 LYS A 40 -2.486 10.006 -1.223 1.00 44.44 H new ATOM 0 HG3 LYS A 40 -2.085 11.021 -2.594 1.00 44.44 H new ATOM 0 HD2 LYS A 40 -3.371 12.853 -1.789 1.00 34.54 H new ATOM 0 HD3 LYS A 40 -4.349 11.841 -0.745 1.00 34.54 H new ATOM 0 HE2 LYS A 40 -2.420 11.473 0.754 1.00 32.33 H new ATOM 0 HE3 LYS A 40 -1.387 12.405 -0.311 1.00 32.33 H new ATOM 0 HZ1 LYS A 40 -2.580 13.459 1.775 1.00 3.44 H new ATOM 0 HZ2 LYS A 40 -2.278 14.358 0.366 1.00 3.44 H new ATOM 0 HZ3 LYS A 40 -3.823 13.712 0.646 1.00 3.44 H new ATOM 650 N ASP A 41 -6.685 10.231 -0.182 1.00 61.40 N ATOM 651 CA ASP A 41 -7.845 10.981 0.391 1.00 33.42 C ATOM 652 C ASP A 41 -9.170 10.653 -0.367 1.00 61.52 C ATOM 653 O ASP A 41 -10.136 11.425 -0.324 1.00 54.03 O ATOM 654 CB ASP A 41 -7.574 12.517 0.416 1.00 22.22 C ATOM 655 CG ASP A 41 -6.233 12.918 1.060 1.00 61.20 C ATOM 656 OD1 ASP A 41 -5.735 12.206 1.960 1.00 64.02 O ATOM 657 OD2 ASP A 41 -5.667 13.966 0.673 1.00 24.25 O ATOM 0 H ASP A 41 -6.245 9.606 0.493 1.00 61.40 H new ATOM 0 HA ASP A 41 -7.967 10.651 1.423 1.00 33.42 H new ATOM 0 HB2 ASP A 41 -7.599 12.894 -0.606 1.00 22.22 H new ATOM 0 HB3 ASP A 41 -8.383 13.007 0.957 1.00 22.22 H new ATOM 662 N GLY A 42 -9.201 9.477 -1.031 1.00 42.44 N ATOM 663 CA GLY A 42 -10.340 9.069 -1.874 1.00 51.43 C ATOM 664 C GLY A 42 -10.349 9.709 -3.275 1.00 33.43 C ATOM 665 O GLY A 42 -11.269 9.467 -4.065 1.00 64.10 O ATOM 0 H GLY A 42 -8.445 8.793 -0.997 1.00 42.44 H new ATOM 0 HA2 GLY A 42 -10.327 7.984 -1.982 1.00 51.43 H new ATOM 0 HA3 GLY A 42 -11.267 9.328 -1.363 1.00 51.43 H new ATOM 669 N GLN A 43 -9.311 10.510 -3.587 1.00 1.44 N ATOM 670 CA GLN A 43 -9.175 11.216 -4.891 1.00 1.42 C ATOM 671 C GLN A 43 -8.563 10.301 -5.990 1.00 21.35 C ATOM 672 O GLN A 43 -8.315 10.768 -7.108 1.00 50.02 O ATOM 673 CB GLN A 43 -8.279 12.475 -4.713 1.00 52.32 C ATOM 674 CG GLN A 43 -8.702 13.415 -3.567 1.00 52.53 C ATOM 675 CD GLN A 43 -7.705 14.556 -3.343 1.00 65.23 C ATOM 676 OE1 GLN A 43 -6.681 14.315 -2.540 1.00 4.04 O flip ATOM 677 NE2 GLN A 43 -7.837 15.633 -3.913 1.00 21.12 N flip ATOM 0 H GLN A 43 -8.539 10.690 -2.946 1.00 1.44 H new ATOM 0 HA GLN A 43 -10.175 11.504 -5.214 1.00 1.42 H new ATOM 0 HB2 GLN A 43 -7.253 12.151 -4.538 1.00 52.32 H new ATOM 0 HB3 GLN A 43 -8.281 13.039 -5.646 1.00 52.32 H new ATOM 0 HG2 GLN A 43 -9.684 13.834 -3.789 1.00 52.53 H new ATOM 0 HG3 GLN A 43 -8.802 12.839 -2.647 1.00 52.53 H new ATOM 0 HE21 GLN A 43 -8.637 15.791 -4.526 1.00 21.12 H new ATOM 0 HE22 GLN A 43 -7.147 16.372 -3.774 1.00 21.12 H new ATOM 686 N GLU A 44 -8.320 9.015 -5.636 1.00 34.50 N ATOM 687 CA GLU A 44 -7.694 7.982 -6.511 1.00 71.44 C ATOM 688 C GLU A 44 -6.187 8.258 -6.756 1.00 41.40 C ATOM 689 O GLU A 44 -5.803 9.344 -7.201 1.00 61.34 O ATOM 690 CB GLU A 44 -8.462 7.808 -7.865 1.00 22.25 C ATOM 691 CG GLU A 44 -7.986 6.637 -8.761 1.00 52.34 C ATOM 692 CD GLU A 44 -8.288 5.247 -8.165 1.00 22.30 C ATOM 693 OE1 GLU A 44 -7.499 4.756 -7.332 1.00 33.21 O ATOM 694 OE2 GLU A 44 -9.322 4.640 -8.527 1.00 24.01 O ATOM 0 H GLU A 44 -8.558 8.654 -4.712 1.00 34.50 H new ATOM 0 HA GLU A 44 -7.770 7.039 -5.970 1.00 71.44 H new ATOM 0 HB2 GLU A 44 -9.520 7.667 -7.646 1.00 22.25 H new ATOM 0 HB3 GLU A 44 -8.375 8.734 -8.433 1.00 22.25 H new ATOM 0 HG2 GLU A 44 -8.466 6.718 -9.737 1.00 52.34 H new ATOM 0 HG3 GLU A 44 -6.912 6.728 -8.925 1.00 52.34 H new ATOM 701 N VAL A 45 -5.338 7.262 -6.448 1.00 44.24 N ATOM 702 CA VAL A 45 -3.887 7.340 -6.721 1.00 42.24 C ATOM 703 C VAL A 45 -3.609 7.016 -8.202 1.00 15.41 C ATOM 704 O VAL A 45 -3.911 5.918 -8.681 1.00 34.32 O ATOM 705 CB VAL A 45 -3.063 6.377 -5.785 1.00 11.24 C ATOM 706 CG1 VAL A 45 -1.589 6.215 -6.241 1.00 14.14 C ATOM 707 CG2 VAL A 45 -3.129 6.860 -4.316 1.00 32.54 C ATOM 0 H VAL A 45 -5.630 6.389 -6.008 1.00 44.24 H new ATOM 0 HA VAL A 45 -3.563 8.359 -6.509 1.00 42.24 H new ATOM 0 HB VAL A 45 -3.525 5.393 -5.858 1.00 11.24 H new ATOM 0 HG11 VAL A 45 -1.069 5.541 -5.560 1.00 14.14 H new ATOM 0 HG12 VAL A 45 -1.563 5.802 -7.250 1.00 14.14 H new ATOM 0 HG13 VAL A 45 -1.097 7.188 -6.235 1.00 14.14 H new ATOM 0 HG21 VAL A 45 -2.554 6.183 -3.684 1.00 32.54 H new ATOM 0 HG22 VAL A 45 -2.712 7.865 -4.244 1.00 32.54 H new ATOM 0 HG23 VAL A 45 -4.167 6.873 -3.984 1.00 32.54 H new ATOM 717 N GLU A 46 -3.064 8.007 -8.917 1.00 23.24 N ATOM 718 CA GLU A 46 -2.602 7.860 -10.311 1.00 51.40 C ATOM 719 C GLU A 46 -1.060 7.965 -10.353 1.00 52.20 C ATOM 720 O GLU A 46 -0.452 8.611 -9.483 1.00 65.32 O ATOM 721 CB GLU A 46 -3.261 8.955 -11.197 1.00 61.52 C ATOM 722 CG GLU A 46 -4.802 8.996 -11.103 1.00 74.12 C ATOM 723 CD GLU A 46 -5.435 10.105 -11.961 1.00 12.30 C ATOM 724 OE1 GLU A 46 -5.310 11.296 -11.596 1.00 44.13 O ATOM 725 OE2 GLU A 46 -6.061 9.791 -13.002 1.00 1.21 O ATOM 0 H GLU A 46 -2.928 8.946 -8.544 1.00 23.24 H new ATOM 0 HA GLU A 46 -2.894 6.884 -10.700 1.00 51.40 H new ATOM 0 HB2 GLU A 46 -2.864 9.928 -10.909 1.00 61.52 H new ATOM 0 HB3 GLU A 46 -2.975 8.788 -12.235 1.00 61.52 H new ATOM 0 HG2 GLU A 46 -5.204 8.032 -11.414 1.00 74.12 H new ATOM 0 HG3 GLU A 46 -5.092 9.141 -10.062 1.00 74.12 H new ATOM 732 N GLU A 47 -0.431 7.330 -11.357 1.00 25.25 N ATOM 733 CA GLU A 47 1.044 7.269 -11.477 1.00 51.40 C ATOM 734 C GLU A 47 1.638 8.670 -11.796 1.00 23.42 C ATOM 735 O GLU A 47 1.672 9.098 -12.956 1.00 61.22 O ATOM 736 CB GLU A 47 1.484 6.227 -12.555 1.00 3.24 C ATOM 737 CG GLU A 47 0.951 4.781 -12.365 1.00 4.23 C ATOM 738 CD GLU A 47 -0.501 4.585 -12.847 1.00 23.02 C ATOM 739 OE1 GLU A 47 -0.708 4.411 -14.070 1.00 33.43 O ATOM 740 OE2 GLU A 47 -1.441 4.640 -12.023 1.00 1.40 O ATOM 0 H GLU A 47 -0.924 6.845 -12.107 1.00 25.25 H new ATOM 0 HA GLU A 47 1.437 6.943 -10.514 1.00 51.40 H new ATOM 0 HB2 GLU A 47 1.160 6.586 -13.532 1.00 3.24 H new ATOM 0 HB3 GLU A 47 2.573 6.192 -12.573 1.00 3.24 H new ATOM 0 HG2 GLU A 47 1.599 4.091 -12.905 1.00 4.23 H new ATOM 0 HG3 GLU A 47 1.012 4.517 -11.309 1.00 4.23 H new ATOM 747 N SER A 48 2.048 9.387 -10.737 1.00 44.45 N ATOM 748 CA SER A 48 2.665 10.734 -10.841 1.00 3.22 C ATOM 749 C SER A 48 4.198 10.630 -11.059 1.00 12.31 C ATOM 750 O SER A 48 4.747 9.530 -11.205 1.00 11.24 O ATOM 751 CB SER A 48 2.341 11.548 -9.553 1.00 11.52 C ATOM 752 OG SER A 48 2.843 12.876 -9.613 1.00 1.45 O ATOM 0 H SER A 48 1.964 9.053 -9.777 1.00 44.45 H new ATOM 0 HA SER A 48 2.248 11.250 -11.706 1.00 3.22 H new ATOM 0 HB2 SER A 48 1.261 11.577 -9.406 1.00 11.52 H new ATOM 0 HB3 SER A 48 2.767 11.040 -8.688 1.00 11.52 H new ATOM 0 HG SER A 48 2.615 13.349 -8.786 1.00 1.45 H new ATOM 758 N ASP A 49 4.869 11.793 -11.091 1.00 23.22 N ATOM 759 CA ASP A 49 6.344 11.899 -11.187 1.00 32.54 C ATOM 760 C ASP A 49 7.029 11.151 -10.014 1.00 54.04 C ATOM 761 O ASP A 49 7.990 10.403 -10.204 1.00 13.03 O ATOM 762 CB ASP A 49 6.754 13.395 -11.168 1.00 33.33 C ATOM 763 CG ASP A 49 5.998 14.232 -12.212 1.00 71.13 C ATOM 764 OD1 ASP A 49 4.814 14.571 -11.971 1.00 21.33 O ATOM 765 OD2 ASP A 49 6.563 14.549 -13.280 1.00 61.40 O ATOM 0 H ASP A 49 4.402 12.699 -11.051 1.00 23.22 H new ATOM 0 HA ASP A 49 6.668 11.439 -12.121 1.00 32.54 H new ATOM 0 HB2 ASP A 49 6.568 13.806 -10.176 1.00 33.33 H new ATOM 0 HB3 ASP A 49 7.826 13.476 -11.351 1.00 33.33 H new ATOM 770 N PHE A 50 6.492 11.368 -8.801 1.00 13.53 N ATOM 771 CA PHE A 50 6.993 10.735 -7.565 1.00 23.55 C ATOM 772 C PHE A 50 6.304 9.377 -7.296 1.00 63.42 C ATOM 773 O PHE A 50 6.970 8.408 -6.921 1.00 54.14 O ATOM 774 CB PHE A 50 6.796 11.690 -6.359 1.00 72.04 C ATOM 775 CG PHE A 50 7.550 13.010 -6.511 1.00 75.52 C ATOM 776 CD1 PHE A 50 8.891 13.109 -6.138 1.00 71.41 C ATOM 777 CD2 PHE A 50 6.930 14.137 -7.051 1.00 43.13 C ATOM 778 CE1 PHE A 50 9.584 14.290 -6.301 1.00 1.04 C ATOM 779 CE2 PHE A 50 7.626 15.320 -7.209 1.00 34.12 C ATOM 780 CZ PHE A 50 8.955 15.394 -6.835 1.00 51.34 C ATOM 0 H PHE A 50 5.697 11.988 -8.648 1.00 13.53 H new ATOM 0 HA PHE A 50 8.057 10.541 -7.698 1.00 23.55 H new ATOM 0 HB2 PHE A 50 5.733 11.898 -6.237 1.00 72.04 H new ATOM 0 HB3 PHE A 50 7.129 11.191 -5.449 1.00 72.04 H new ATOM 0 HD1 PHE A 50 9.392 12.250 -5.717 1.00 71.41 H new ATOM 0 HD2 PHE A 50 5.893 14.084 -7.349 1.00 43.13 H new ATOM 0 HE1 PHE A 50 10.622 14.350 -6.010 1.00 1.04 H new ATOM 0 HE2 PHE A 50 7.132 16.186 -7.624 1.00 34.12 H new ATOM 0 HZ PHE A 50 9.501 16.317 -6.961 1.00 51.34 H new ATOM 790 N VAL A 51 4.972 9.313 -7.491 1.00 41.11 N ATOM 791 CA VAL A 51 4.189 8.096 -7.194 1.00 23.40 C ATOM 792 C VAL A 51 4.531 6.953 -8.189 1.00 62.42 C ATOM 793 O VAL A 51 4.049 6.936 -9.329 1.00 12.34 O ATOM 794 CB VAL A 51 2.634 8.367 -7.217 1.00 63.10 C ATOM 795 CG1 VAL A 51 1.841 7.095 -6.832 1.00 12.13 C ATOM 796 CG2 VAL A 51 2.250 9.570 -6.316 1.00 64.53 C ATOM 0 H VAL A 51 4.416 10.088 -7.852 1.00 41.11 H new ATOM 0 HA VAL A 51 4.466 7.790 -6.185 1.00 23.40 H new ATOM 0 HB VAL A 51 2.362 8.631 -8.239 1.00 63.10 H new ATOM 0 HG11 VAL A 51 0.773 7.311 -6.856 1.00 12.13 H new ATOM 0 HG12 VAL A 51 2.066 6.298 -7.540 1.00 12.13 H new ATOM 0 HG13 VAL A 51 2.125 6.779 -5.828 1.00 12.13 H new ATOM 0 HG21 VAL A 51 1.172 9.726 -6.357 1.00 64.53 H new ATOM 0 HG22 VAL A 51 2.548 9.364 -5.288 1.00 64.53 H new ATOM 0 HG23 VAL A 51 2.760 10.466 -6.669 1.00 64.53 H new ATOM 806 N VAL A 52 5.404 6.031 -7.750 1.00 73.21 N ATOM 807 CA VAL A 52 5.753 4.815 -8.510 1.00 63.21 C ATOM 808 C VAL A 52 5.162 3.565 -7.805 1.00 23.33 C ATOM 809 O VAL A 52 5.435 3.291 -6.630 1.00 14.32 O ATOM 810 CB VAL A 52 7.312 4.685 -8.734 1.00 51.20 C ATOM 811 CG1 VAL A 52 7.830 5.791 -9.695 1.00 41.42 C ATOM 812 CG2 VAL A 52 8.092 4.710 -7.396 1.00 13.31 C ATOM 0 H VAL A 52 5.890 6.106 -6.856 1.00 73.21 H new ATOM 0 HA VAL A 52 5.310 4.891 -9.503 1.00 63.21 H new ATOM 0 HB VAL A 52 7.491 3.715 -9.198 1.00 51.20 H new ATOM 0 HG11 VAL A 52 8.906 5.679 -9.832 1.00 41.42 H new ATOM 0 HG12 VAL A 52 7.330 5.699 -10.659 1.00 41.42 H new ATOM 0 HG13 VAL A 52 7.619 6.772 -9.269 1.00 41.42 H new ATOM 0 HG21 VAL A 52 9.160 4.618 -7.595 1.00 13.31 H new ATOM 0 HG22 VAL A 52 7.899 5.650 -6.880 1.00 13.31 H new ATOM 0 HG23 VAL A 52 7.767 3.879 -6.770 1.00 13.31 H new ATOM 822 N LEU A 53 4.295 2.845 -8.532 1.00 63.24 N ATOM 823 CA LEU A 53 3.583 1.657 -8.020 1.00 45.20 C ATOM 824 C LEU A 53 4.342 0.366 -8.403 1.00 3.24 C ATOM 825 O LEU A 53 4.489 0.054 -9.593 1.00 32.51 O ATOM 826 CB LEU A 53 2.133 1.631 -8.589 1.00 32.00 C ATOM 827 CG LEU A 53 1.246 2.878 -8.257 1.00 43.13 C ATOM 828 CD1 LEU A 53 -0.120 2.805 -8.979 1.00 72.21 C ATOM 829 CD2 LEU A 53 1.075 3.057 -6.725 1.00 10.43 C ATOM 0 H LEU A 53 4.064 3.070 -9.500 1.00 63.24 H new ATOM 0 HA LEU A 53 3.535 1.711 -6.932 1.00 45.20 H new ATOM 0 HB2 LEU A 53 2.190 1.528 -9.673 1.00 32.00 H new ATOM 0 HB3 LEU A 53 1.631 0.741 -8.210 1.00 32.00 H new ATOM 0 HG LEU A 53 1.764 3.761 -8.631 1.00 43.13 H new ATOM 0 HD11 LEU A 53 -0.712 3.685 -8.728 1.00 72.21 H new ATOM 0 HD12 LEU A 53 0.039 2.771 -10.057 1.00 72.21 H new ATOM 0 HD13 LEU A 53 -0.652 1.908 -8.662 1.00 72.21 H new ATOM 0 HD21 LEU A 53 0.454 3.931 -6.528 1.00 10.43 H new ATOM 0 HD22 LEU A 53 0.598 2.171 -6.306 1.00 10.43 H new ATOM 0 HD23 LEU A 53 2.053 3.195 -6.263 1.00 10.43 H new ATOM 841 N GLU A 54 4.824 -0.381 -7.394 1.00 4.43 N ATOM 842 CA GLU A 54 5.519 -1.667 -7.618 1.00 53.30 C ATOM 843 C GLU A 54 4.515 -2.823 -7.455 1.00 21.41 C ATOM 844 O GLU A 54 3.901 -2.982 -6.386 1.00 40.25 O ATOM 845 CB GLU A 54 6.717 -1.841 -6.640 1.00 12.04 C ATOM 846 CG GLU A 54 7.786 -0.732 -6.726 1.00 61.02 C ATOM 847 CD GLU A 54 9.053 -1.044 -5.905 1.00 55.01 C ATOM 848 OE1 GLU A 54 8.957 -1.179 -4.665 1.00 22.14 O ATOM 849 OE2 GLU A 54 10.153 -1.144 -6.490 1.00 32.11 O ATOM 0 H GLU A 54 4.746 -0.118 -6.412 1.00 4.43 H new ATOM 0 HA GLU A 54 5.922 -1.675 -8.631 1.00 53.30 H new ATOM 0 HB2 GLU A 54 6.333 -1.879 -5.620 1.00 12.04 H new ATOM 0 HB3 GLU A 54 7.193 -2.802 -6.837 1.00 12.04 H new ATOM 0 HG2 GLU A 54 8.064 -0.585 -7.770 1.00 61.02 H new ATOM 0 HG3 GLU A 54 7.356 0.206 -6.376 1.00 61.02 H new ATOM 856 N ASN A 55 4.337 -3.617 -8.531 1.00 12.44 N ATOM 857 CA ASN A 55 3.348 -4.710 -8.570 1.00 52.23 C ATOM 858 C ASN A 55 3.955 -6.054 -9.076 1.00 73.34 C ATOM 859 O ASN A 55 4.398 -6.169 -10.221 1.00 70.54 O ATOM 860 CB ASN A 55 2.083 -4.269 -9.379 1.00 62.34 C ATOM 861 CG ASN A 55 2.328 -3.462 -10.673 1.00 4.30 C ATOM 862 OD1 ASN A 55 1.534 -2.593 -11.014 1.00 2.02 O ATOM 863 ND2 ASN A 55 3.377 -3.742 -11.425 1.00 15.31 N ATOM 0 H ASN A 55 4.873 -3.518 -9.393 1.00 12.44 H new ATOM 0 HA ASN A 55 3.032 -4.912 -7.547 1.00 52.23 H new ATOM 0 HB2 ASN A 55 1.518 -5.164 -9.639 1.00 62.34 H new ATOM 0 HB3 ASN A 55 1.451 -3.672 -8.722 1.00 62.34 H new ATOM 0 HD21 ASN A 55 3.530 -3.234 -12.296 1.00 15.31 H new ATOM 0 HD22 ASN A 55 4.034 -4.467 -11.135 1.00 15.31 H new ATOM 870 N GLU A 56 3.983 -7.058 -8.178 1.00 53.32 N ATOM 871 CA GLU A 56 4.409 -8.443 -8.475 1.00 75.34 C ATOM 872 C GLU A 56 3.308 -9.422 -8.001 1.00 64.31 C ATOM 873 O GLU A 56 3.274 -9.815 -6.832 1.00 12.22 O ATOM 874 CB GLU A 56 5.775 -8.750 -7.784 1.00 32.11 C ATOM 875 CG GLU A 56 6.291 -10.203 -7.925 1.00 51.22 C ATOM 876 CD GLU A 56 6.575 -10.623 -9.380 1.00 40.12 C ATOM 877 OE1 GLU A 56 7.682 -10.342 -9.886 1.00 4.33 O ATOM 878 OE2 GLU A 56 5.696 -11.238 -10.028 1.00 12.44 O ATOM 0 H GLU A 56 3.705 -6.928 -7.205 1.00 53.32 H new ATOM 0 HA GLU A 56 4.550 -8.564 -9.549 1.00 75.34 H new ATOM 0 HB2 GLU A 56 6.527 -8.076 -8.194 1.00 32.11 H new ATOM 0 HB3 GLU A 56 5.684 -8.518 -6.723 1.00 32.11 H new ATOM 0 HG2 GLU A 56 7.204 -10.313 -7.340 1.00 51.22 H new ATOM 0 HG3 GLU A 56 5.555 -10.883 -7.497 1.00 51.22 H new ATOM 885 N GLY A 57 2.384 -9.773 -8.915 1.00 62.21 N ATOM 886 CA GLY A 57 1.230 -10.629 -8.586 1.00 71.44 C ATOM 887 C GLY A 57 0.307 -10.040 -7.485 1.00 33.44 C ATOM 888 O GLY A 57 -0.356 -9.024 -7.732 1.00 52.23 O ATOM 0 H GLY A 57 2.415 -9.475 -9.890 1.00 62.21 H new ATOM 0 HA2 GLY A 57 0.643 -10.794 -9.489 1.00 71.44 H new ATOM 0 HA3 GLY A 57 1.594 -11.603 -8.259 1.00 71.44 H new ATOM 892 N PRO A 58 0.240 -10.649 -6.249 1.00 62.44 N ATOM 893 CA PRO A 58 -0.556 -10.097 -5.114 1.00 40.32 C ATOM 894 C PRO A 58 0.146 -8.912 -4.378 1.00 11.03 C ATOM 895 O PRO A 58 -0.477 -8.220 -3.563 1.00 25.53 O ATOM 896 CB PRO A 58 -0.712 -11.328 -4.193 1.00 12.40 C ATOM 897 CG PRO A 58 0.553 -12.102 -4.399 1.00 64.41 C ATOM 898 CD PRO A 58 0.899 -11.934 -5.868 1.00 23.43 C ATOM 0 HA PRO A 58 -1.500 -9.661 -5.442 1.00 40.32 H new ATOM 0 HB2 PRO A 58 -0.833 -11.033 -3.151 1.00 12.40 H new ATOM 0 HB3 PRO A 58 -1.588 -11.918 -4.461 1.00 12.40 H new ATOM 0 HG2 PRO A 58 1.352 -11.723 -3.762 1.00 64.41 H new ATOM 0 HG3 PRO A 58 0.415 -13.153 -4.146 1.00 64.41 H new ATOM 0 HD2 PRO A 58 1.977 -11.891 -6.022 1.00 23.43 H new ATOM 0 HD3 PRO A 58 0.525 -12.767 -6.464 1.00 23.43 H new ATOM 906 N HIS A 59 1.446 -8.692 -4.671 1.00 55.32 N ATOM 907 CA HIS A 59 2.234 -7.582 -4.086 1.00 40.40 C ATOM 908 C HIS A 59 1.874 -6.254 -4.800 1.00 40.31 C ATOM 909 O HIS A 59 2.181 -6.088 -5.977 1.00 61.13 O ATOM 910 CB HIS A 59 3.756 -7.863 -4.229 1.00 45.15 C ATOM 911 CG HIS A 59 4.240 -9.125 -3.569 1.00 14.43 C ATOM 912 ND1 HIS A 59 4.972 -9.129 -2.405 1.00 2.10 N ATOM 913 CD2 HIS A 59 4.130 -10.427 -3.935 1.00 55.40 C ATOM 914 CE1 HIS A 59 5.292 -10.364 -2.088 1.00 70.33 C ATOM 915 NE2 HIS A 59 4.794 -11.169 -2.997 1.00 44.15 N ATOM 0 H HIS A 59 1.978 -9.275 -5.317 1.00 55.32 H new ATOM 0 HA HIS A 59 1.993 -7.500 -3.026 1.00 40.40 H new ATOM 0 HB2 HIS A 59 4.002 -7.909 -5.290 1.00 45.15 H new ATOM 0 HB3 HIS A 59 4.306 -7.020 -3.811 1.00 45.15 H new ATOM 0 HD2 HIS A 59 3.614 -10.807 -4.805 1.00 55.40 H new ATOM 0 HE1 HIS A 59 5.868 -10.665 -1.225 1.00 70.33 H new ATOM 0 HE2 HIS A 59 4.887 -12.185 -3.003 1.00 44.15 H new ATOM 924 N ARG A 60 1.184 -5.339 -4.095 1.00 12.03 N ATOM 925 CA ARG A 60 0.726 -4.036 -4.649 1.00 71.10 C ATOM 926 C ARG A 60 1.042 -2.891 -3.655 1.00 64.54 C ATOM 927 O ARG A 60 0.275 -2.643 -2.717 1.00 31.24 O ATOM 928 CB ARG A 60 -0.806 -4.096 -4.919 1.00 64.03 C ATOM 929 CG ARG A 60 -1.259 -5.083 -6.031 1.00 10.40 C ATOM 930 CD ARG A 60 -1.082 -4.516 -7.453 1.00 63.42 C ATOM 931 NE ARG A 60 -1.910 -3.315 -7.670 1.00 44.32 N ATOM 932 CZ ARG A 60 -1.903 -2.551 -8.745 1.00 31.21 C ATOM 933 NH1 ARG A 60 -1.166 -2.822 -9.777 1.00 40.01 N ATOM 934 NH2 ARG A 60 -2.668 -1.517 -8.786 1.00 63.11 N ATOM 0 H ARG A 60 0.923 -5.476 -3.119 1.00 12.03 H new ATOM 0 HA ARG A 60 1.251 -3.841 -5.584 1.00 71.10 H new ATOM 0 HB2 ARG A 60 -1.309 -4.368 -3.991 1.00 64.03 H new ATOM 0 HB3 ARG A 60 -1.148 -3.096 -5.186 1.00 64.03 H new ATOM 0 HG2 ARG A 60 -0.689 -6.008 -5.942 1.00 10.40 H new ATOM 0 HG3 ARG A 60 -2.307 -5.339 -5.876 1.00 10.40 H new ATOM 0 HD2 ARG A 60 -0.033 -4.269 -7.618 1.00 63.42 H new ATOM 0 HD3 ARG A 60 -1.349 -5.279 -8.184 1.00 63.42 H new ATOM 0 HE ARG A 60 -2.547 -3.051 -6.919 1.00 44.32 H new ATOM 0 HH11 ARG A 60 -0.567 -3.648 -9.773 1.00 40.01 H new ATOM 0 HH12 ARG A 60 -1.185 -2.209 -10.592 1.00 40.01 H new ATOM 0 HH21 ARG A 60 -3.270 -1.296 -7.993 1.00 63.11 H new ATOM 0 HH22 ARG A 60 -2.672 -0.918 -9.612 1.00 63.11 H new ATOM 948 N ARG A 61 2.179 -2.195 -3.853 1.00 70.55 N ATOM 949 CA ARG A 61 2.632 -1.130 -2.925 1.00 3.24 C ATOM 950 C ARG A 61 2.801 0.237 -3.622 1.00 51.43 C ATOM 951 O ARG A 61 3.001 0.320 -4.841 1.00 4.10 O ATOM 952 CB ARG A 61 3.953 -1.542 -2.227 1.00 0.40 C ATOM 953 CG ARG A 61 5.163 -1.724 -3.168 1.00 45.21 C ATOM 954 CD ARG A 61 6.454 -2.045 -2.396 1.00 62.54 C ATOM 955 NE ARG A 61 6.309 -3.241 -1.546 1.00 33.14 N ATOM 956 CZ ARG A 61 7.272 -3.830 -0.877 1.00 3.20 C ATOM 957 NH1 ARG A 61 8.500 -3.428 -0.962 1.00 42.13 N ATOM 958 NH2 ARG A 61 6.992 -4.844 -0.131 1.00 0.03 N ATOM 0 H ARG A 61 2.803 -2.348 -4.645 1.00 70.55 H new ATOM 0 HA ARG A 61 1.848 -1.013 -2.177 1.00 3.24 H new ATOM 0 HB2 ARG A 61 4.203 -0.787 -1.482 1.00 0.40 H new ATOM 0 HB3 ARG A 61 3.786 -2.476 -1.691 1.00 0.40 H new ATOM 0 HG2 ARG A 61 4.954 -2.527 -3.874 1.00 45.21 H new ATOM 0 HG3 ARG A 61 5.307 -0.815 -3.752 1.00 45.21 H new ATOM 0 HD2 ARG A 61 7.269 -2.200 -3.103 1.00 62.54 H new ATOM 0 HD3 ARG A 61 6.727 -1.191 -1.776 1.00 62.54 H new ATOM 0 HE ARG A 61 5.376 -3.647 -1.471 1.00 33.14 H new ATOM 0 HH11 ARG A 61 8.737 -2.636 -1.559 1.00 42.13 H new ATOM 0 HH12 ARG A 61 9.230 -3.903 -0.431 1.00 42.13 H new ATOM 0 HH21 ARG A 61 6.031 -5.179 -0.066 1.00 0.03 H new ATOM 0 HH22 ARG A 61 7.732 -5.311 0.394 1.00 0.03 H new ATOM 972 N LEU A 62 2.723 1.298 -2.804 1.00 71.23 N ATOM 973 CA LEU A 62 2.932 2.695 -3.223 1.00 53.53 C ATOM 974 C LEU A 62 4.294 3.176 -2.675 1.00 65.25 C ATOM 975 O LEU A 62 4.498 3.218 -1.463 1.00 51.21 O ATOM 976 CB LEU A 62 1.744 3.560 -2.690 1.00 1.11 C ATOM 977 CG LEU A 62 1.561 5.015 -3.269 1.00 4.00 C ATOM 978 CD1 LEU A 62 0.138 5.542 -2.978 1.00 40.14 C ATOM 979 CD2 LEU A 62 2.616 6.023 -2.737 1.00 2.01 C ATOM 0 H LEU A 62 2.508 1.208 -1.811 1.00 71.23 H new ATOM 0 HA LEU A 62 2.954 2.787 -4.309 1.00 53.53 H new ATOM 0 HB2 LEU A 62 0.822 3.009 -2.876 1.00 1.11 H new ATOM 0 HB3 LEU A 62 1.852 3.644 -1.609 1.00 1.11 H new ATOM 0 HG LEU A 62 1.712 4.934 -4.346 1.00 4.00 H new ATOM 0 HD11 LEU A 62 0.032 6.547 -3.386 1.00 40.14 H new ATOM 0 HD12 LEU A 62 -0.596 4.883 -3.442 1.00 40.14 H new ATOM 0 HD13 LEU A 62 -0.027 5.568 -1.901 1.00 40.14 H new ATOM 0 HD21 LEU A 62 2.434 7.005 -3.174 1.00 2.01 H new ATOM 0 HD22 LEU A 62 2.541 6.089 -1.652 1.00 2.01 H new ATOM 0 HD23 LEU A 62 3.615 5.683 -3.012 1.00 2.01 H new ATOM 991 N VAL A 63 5.228 3.520 -3.575 1.00 3.12 N ATOM 992 CA VAL A 63 6.559 4.053 -3.199 1.00 41.13 C ATOM 993 C VAL A 63 6.628 5.574 -3.490 1.00 32.52 C ATOM 994 O VAL A 63 6.303 6.024 -4.599 1.00 23.33 O ATOM 995 CB VAL A 63 7.709 3.286 -3.956 1.00 23.41 C ATOM 996 CG1 VAL A 63 9.119 3.829 -3.589 1.00 53.54 C ATOM 997 CG2 VAL A 63 7.608 1.759 -3.706 1.00 71.20 C ATOM 0 H VAL A 63 5.089 3.439 -4.582 1.00 3.12 H new ATOM 0 HA VAL A 63 6.703 3.896 -2.130 1.00 41.13 H new ATOM 0 HB VAL A 63 7.573 3.467 -5.022 1.00 23.41 H new ATOM 0 HG11 VAL A 63 9.878 3.269 -4.135 1.00 53.54 H new ATOM 0 HG12 VAL A 63 9.184 4.884 -3.856 1.00 53.54 H new ATOM 0 HG13 VAL A 63 9.285 3.715 -2.518 1.00 53.54 H new ATOM 0 HG21 VAL A 63 8.411 1.249 -4.238 1.00 71.20 H new ATOM 0 HG22 VAL A 63 7.695 1.559 -2.638 1.00 71.20 H new ATOM 0 HG23 VAL A 63 6.646 1.394 -4.066 1.00 71.20 H new ATOM 1007 N LEU A 64 7.056 6.356 -2.479 1.00 71.34 N ATOM 1008 CA LEU A 64 7.146 7.833 -2.564 1.00 45.32 C ATOM 1009 C LEU A 64 8.593 8.298 -2.196 1.00 65.22 C ATOM 1010 O LEU A 64 8.966 8.261 -1.025 1.00 70.43 O ATOM 1011 CB LEU A 64 6.065 8.494 -1.626 1.00 13.11 C ATOM 1012 CG LEU A 64 5.302 9.731 -2.210 1.00 2.44 C ATOM 1013 CD1 LEU A 64 6.252 10.875 -2.603 1.00 11.43 C ATOM 1014 CD2 LEU A 64 4.411 9.318 -3.399 1.00 11.24 C ATOM 0 H LEU A 64 7.351 5.983 -1.577 1.00 71.34 H new ATOM 0 HA LEU A 64 6.940 8.155 -3.585 1.00 45.32 H new ATOM 0 HB2 LEU A 64 5.331 7.733 -1.361 1.00 13.11 H new ATOM 0 HB3 LEU A 64 6.555 8.800 -0.702 1.00 13.11 H new ATOM 0 HG LEU A 64 4.661 10.113 -1.415 1.00 2.44 H new ATOM 0 HD11 LEU A 64 5.673 11.708 -3.002 1.00 11.43 H new ATOM 0 HD12 LEU A 64 6.806 11.206 -1.725 1.00 11.43 H new ATOM 0 HD13 LEU A 64 6.951 10.523 -3.361 1.00 11.43 H new ATOM 0 HD21 LEU A 64 3.892 10.195 -3.787 1.00 11.24 H new ATOM 0 HD22 LEU A 64 5.030 8.886 -4.185 1.00 11.24 H new ATOM 0 HD23 LEU A 64 3.680 8.581 -3.067 1.00 11.24 H new ATOM 1026 N PRO A 65 9.437 8.707 -3.209 1.00 22.31 N ATOM 1027 CA PRO A 65 10.839 9.189 -2.976 1.00 4.45 C ATOM 1028 C PRO A 65 10.934 10.488 -2.113 1.00 4.05 C ATOM 1029 O PRO A 65 11.717 10.547 -1.162 1.00 10.13 O ATOM 1030 CB PRO A 65 11.387 9.409 -4.419 1.00 64.11 C ATOM 1031 CG PRO A 65 10.162 9.571 -5.275 1.00 63.34 C ATOM 1032 CD PRO A 65 9.118 8.674 -4.660 1.00 43.42 C ATOM 0 HA PRO A 65 11.415 8.470 -2.393 1.00 4.45 H new ATOM 0 HB2 PRO A 65 12.024 10.292 -4.470 1.00 64.11 H new ATOM 0 HB3 PRO A 65 11.989 8.562 -4.747 1.00 64.11 H new ATOM 0 HG2 PRO A 65 9.828 10.609 -5.290 1.00 63.34 H new ATOM 0 HG3 PRO A 65 10.365 9.287 -6.308 1.00 63.34 H new ATOM 0 HD2 PRO A 65 8.110 9.039 -4.857 1.00 43.42 H new ATOM 0 HD3 PRO A 65 9.174 7.661 -5.060 1.00 43.42 H new ATOM 1040 N ALA A 66 10.150 11.526 -2.458 1.00 52.53 N ATOM 1041 CA ALA A 66 10.115 12.803 -1.699 1.00 31.42 C ATOM 1042 C ALA A 66 8.707 13.023 -1.109 1.00 63.24 C ATOM 1043 O ALA A 66 7.823 13.570 -1.778 1.00 4.32 O ATOM 1044 CB ALA A 66 10.538 13.974 -2.607 1.00 71.34 C ATOM 0 H ALA A 66 9.525 11.510 -3.264 1.00 52.53 H new ATOM 0 HA ALA A 66 10.824 12.753 -0.872 1.00 31.42 H new ATOM 0 HB1 ALA A 66 10.508 14.904 -2.039 1.00 71.34 H new ATOM 0 HB2 ALA A 66 11.551 13.804 -2.972 1.00 71.34 H new ATOM 0 HB3 ALA A 66 9.854 14.044 -3.453 1.00 71.34 H new ATOM 1050 N THR A 67 8.503 12.544 0.135 1.00 14.44 N ATOM 1051 CA THR A 67 7.171 12.516 0.790 1.00 44.55 C ATOM 1052 C THR A 67 6.719 13.942 1.215 1.00 2.34 C ATOM 1053 O THR A 67 6.986 14.391 2.329 1.00 11.44 O ATOM 1054 CB THR A 67 7.173 11.535 2.021 1.00 3.53 C ATOM 1055 OG1 THR A 67 7.806 10.290 1.651 1.00 4.10 O ATOM 1056 CG2 THR A 67 5.748 11.231 2.530 1.00 72.15 C ATOM 0 H THR A 67 9.252 12.166 0.716 1.00 14.44 H new ATOM 0 HA THR A 67 6.450 12.145 0.061 1.00 44.55 H new ATOM 0 HB THR A 67 7.723 12.028 2.822 1.00 3.53 H new ATOM 0 HG1 THR A 67 8.779 10.385 1.719 1.00 4.10 H new ATOM 0 HG21 THR A 67 5.803 10.550 3.379 1.00 72.15 H new ATOM 0 HG22 THR A 67 5.266 12.159 2.839 1.00 72.15 H new ATOM 0 HG23 THR A 67 5.167 10.769 1.732 1.00 72.15 H new ATOM 1064 N GLN A 68 6.043 14.640 0.288 1.00 34.12 N ATOM 1065 CA GLN A 68 5.629 16.058 0.448 1.00 51.50 C ATOM 1066 C GLN A 68 4.450 16.214 1.454 1.00 43.22 C ATOM 1067 O GLN A 68 3.592 15.329 1.527 1.00 3.21 O ATOM 1068 CB GLN A 68 5.249 16.633 -0.946 1.00 33.03 C ATOM 1069 CG GLN A 68 6.422 16.676 -1.951 1.00 14.22 C ATOM 1070 CD GLN A 68 6.015 17.187 -3.335 1.00 61.34 C ATOM 1071 OE1 GLN A 68 5.647 16.416 -4.218 1.00 22.23 O ATOM 1072 NE2 GLN A 68 6.074 18.490 -3.534 1.00 53.41 N ATOM 0 H GLN A 68 5.762 14.238 -0.606 1.00 34.12 H new ATOM 0 HA GLN A 68 6.466 16.619 0.863 1.00 51.50 H new ATOM 0 HB2 GLN A 68 4.444 16.031 -1.368 1.00 33.03 H new ATOM 0 HB3 GLN A 68 4.858 17.642 -0.817 1.00 33.03 H new ATOM 0 HG2 GLN A 68 7.210 17.315 -1.552 1.00 14.22 H new ATOM 0 HG3 GLN A 68 6.843 15.676 -2.050 1.00 14.22 H new ATOM 0 HE21 GLN A 68 6.383 19.107 -2.783 1.00 53.41 H new ATOM 0 HE22 GLN A 68 5.810 18.880 -4.439 1.00 53.41 H new ATOM 1081 N PRO A 69 4.391 17.354 2.245 1.00 13.42 N ATOM 1082 CA PRO A 69 3.352 17.579 3.304 1.00 64.34 C ATOM 1083 C PRO A 69 1.889 17.386 2.824 1.00 5.34 C ATOM 1084 O PRO A 69 1.056 16.829 3.551 1.00 61.30 O ATOM 1085 CB PRO A 69 3.597 19.046 3.742 1.00 63.45 C ATOM 1086 CG PRO A 69 5.041 19.291 3.444 1.00 64.33 C ATOM 1087 CD PRO A 69 5.339 18.504 2.185 1.00 54.45 C ATOM 0 HA PRO A 69 3.453 16.845 4.104 1.00 64.34 H new ATOM 0 HB2 PRO A 69 2.956 19.736 3.193 1.00 63.45 H new ATOM 0 HB3 PRO A 69 3.382 19.185 4.801 1.00 63.45 H new ATOM 0 HG2 PRO A 69 5.236 20.353 3.297 1.00 64.33 H new ATOM 0 HG3 PRO A 69 5.672 18.963 4.270 1.00 64.33 H new ATOM 0 HD2 PRO A 69 5.180 19.106 1.291 1.00 54.45 H new ATOM 0 HD3 PRO A 69 6.375 18.166 2.161 1.00 54.45 H new ATOM 1095 N SER A 70 1.603 17.829 1.583 1.00 61.25 N ATOM 1096 CA SER A 70 0.263 17.676 0.953 1.00 33.24 C ATOM 1097 C SER A 70 -0.067 16.185 0.706 1.00 21.44 C ATOM 1098 O SER A 70 -1.204 15.745 0.919 1.00 75.02 O ATOM 1099 CB SER A 70 0.203 18.451 -0.385 1.00 53.54 C ATOM 1100 OG SER A 70 1.073 17.887 -1.361 1.00 11.13 O ATOM 0 H SER A 70 2.284 18.300 0.988 1.00 61.25 H new ATOM 0 HA SER A 70 -0.477 18.087 1.639 1.00 33.24 H new ATOM 0 HB2 SER A 70 -0.819 18.446 -0.763 1.00 53.54 H new ATOM 0 HB3 SER A 70 0.474 19.493 -0.214 1.00 53.54 H new ATOM 0 HG SER A 70 1.008 18.401 -2.193 1.00 11.13 H new ATOM 1106 N ASP A 71 0.963 15.414 0.277 1.00 53.14 N ATOM 1107 CA ASP A 71 0.847 13.959 0.006 1.00 3.23 C ATOM 1108 C ASP A 71 0.803 13.128 1.330 1.00 71.04 C ATOM 1109 O ASP A 71 0.486 11.937 1.319 1.00 44.15 O ATOM 1110 CB ASP A 71 2.010 13.485 -0.915 1.00 4.43 C ATOM 1111 CG ASP A 71 1.799 12.052 -1.463 1.00 65.41 C ATOM 1112 OD1 ASP A 71 0.990 11.884 -2.410 1.00 73.41 O ATOM 1113 OD2 ASP A 71 2.410 11.100 -0.933 1.00 23.13 O ATOM 0 H ASP A 71 1.899 15.784 0.109 1.00 53.14 H new ATOM 0 HA ASP A 71 -0.096 13.788 -0.512 1.00 3.23 H new ATOM 0 HB2 ASP A 71 2.110 14.177 -1.751 1.00 4.43 H new ATOM 0 HB3 ASP A 71 2.946 13.521 -0.358 1.00 4.43 H new ATOM 1118 N GLY A 72 1.082 13.780 2.470 1.00 44.24 N ATOM 1119 CA GLY A 72 1.011 13.129 3.792 1.00 42.45 C ATOM 1120 C GLY A 72 -0.412 13.049 4.349 1.00 23.32 C ATOM 1121 O GLY A 72 -0.745 13.719 5.332 1.00 1.11 O ATOM 0 H GLY A 72 1.360 14.761 2.505 1.00 44.24 H new ATOM 0 HA2 GLY A 72 1.422 12.122 3.717 1.00 42.45 H new ATOM 0 HA3 GLY A 72 1.639 13.678 4.494 1.00 42.45 H new ATOM 1125 N GLY A 73 -1.253 12.214 3.716 1.00 2.43 N ATOM 1126 CA GLY A 73 -2.674 12.096 4.082 1.00 62.23 C ATOM 1127 C GLY A 73 -3.111 10.653 4.331 1.00 11.32 C ATOM 1128 O GLY A 73 -2.310 9.815 4.767 1.00 55.25 O ATOM 0 H GLY A 73 -0.971 11.608 2.945 1.00 2.43 H new ATOM 0 HA2 GLY A 73 -2.862 12.686 4.979 1.00 62.23 H new ATOM 0 HA3 GLY A 73 -3.285 12.522 3.286 1.00 62.23 H new ATOM 1132 N GLU A 74 -4.396 10.372 4.060 1.00 4.44 N ATOM 1133 CA GLU A 74 -5.002 9.039 4.244 1.00 21.13 C ATOM 1134 C GLU A 74 -4.911 8.224 2.935 1.00 22.42 C ATOM 1135 O GLU A 74 -5.313 8.704 1.876 1.00 65.30 O ATOM 1136 CB GLU A 74 -6.486 9.199 4.669 1.00 53.34 C ATOM 1137 CG GLU A 74 -6.698 10.049 5.938 1.00 65.45 C ATOM 1138 CD GLU A 74 -8.181 10.207 6.305 1.00 41.21 C ATOM 1139 OE1 GLU A 74 -8.719 9.349 7.036 1.00 3.10 O ATOM 1140 OE2 GLU A 74 -8.826 11.179 5.854 1.00 50.14 O ATOM 0 H GLU A 74 -5.051 11.068 3.704 1.00 4.44 H new ATOM 0 HA GLU A 74 -4.459 8.505 5.023 1.00 21.13 H new ATOM 0 HB2 GLU A 74 -7.040 9.652 3.847 1.00 53.34 H new ATOM 0 HB3 GLU A 74 -6.913 8.210 4.834 1.00 53.34 H new ATOM 0 HG2 GLU A 74 -6.169 9.588 6.772 1.00 65.45 H new ATOM 0 HG3 GLU A 74 -6.258 11.035 5.788 1.00 65.45 H new ATOM 1147 N PHE A 75 -4.365 7.000 3.006 1.00 71.11 N ATOM 1148 CA PHE A 75 -4.271 6.094 1.841 1.00 43.15 C ATOM 1149 C PHE A 75 -5.171 4.860 2.051 1.00 43.23 C ATOM 1150 O PHE A 75 -4.922 4.034 2.932 1.00 2.23 O ATOM 1151 CB PHE A 75 -2.799 5.681 1.600 1.00 23.10 C ATOM 1152 CG PHE A 75 -1.890 6.853 1.226 1.00 60.00 C ATOM 1153 CD1 PHE A 75 -1.318 7.668 2.208 1.00 64.44 C ATOM 1154 CD2 PHE A 75 -1.614 7.143 -0.109 1.00 10.35 C ATOM 1155 CE1 PHE A 75 -0.497 8.726 1.861 1.00 43.21 C ATOM 1156 CE2 PHE A 75 -0.790 8.199 -0.451 1.00 72.22 C ATOM 1157 CZ PHE A 75 -0.234 8.989 0.531 1.00 31.20 C ATOM 0 H PHE A 75 -3.977 6.609 3.864 1.00 71.11 H new ATOM 0 HA PHE A 75 -4.622 6.619 0.953 1.00 43.15 H new ATOM 0 HB2 PHE A 75 -2.412 5.204 2.500 1.00 23.10 H new ATOM 0 HB3 PHE A 75 -2.764 4.936 0.805 1.00 23.10 H new ATOM 0 HD1 PHE A 75 -1.520 7.469 3.250 1.00 64.44 H new ATOM 0 HD2 PHE A 75 -2.050 6.534 -0.887 1.00 10.35 H new ATOM 0 HE1 PHE A 75 -0.062 9.346 2.630 1.00 43.21 H new ATOM 0 HE2 PHE A 75 -0.582 8.405 -1.490 1.00 72.22 H new ATOM 0 HZ PHE A 75 0.408 9.814 0.261 1.00 31.20 H new ATOM 1167 N GLN A 76 -6.209 4.746 1.217 1.00 12.23 N ATOM 1168 CA GLN A 76 -7.204 3.664 1.291 1.00 32.44 C ATOM 1169 C GLN A 76 -6.908 2.614 0.197 1.00 12.51 C ATOM 1170 O GLN A 76 -7.241 2.815 -0.978 1.00 61.42 O ATOM 1171 CB GLN A 76 -8.625 4.278 1.125 1.00 73.11 C ATOM 1172 CG GLN A 76 -9.791 3.274 1.235 1.00 21.43 C ATOM 1173 CD GLN A 76 -11.169 3.894 0.966 1.00 24.15 C ATOM 1174 OE1 GLN A 76 -11.404 5.067 1.228 1.00 20.43 O ATOM 1175 NE2 GLN A 76 -12.094 3.106 0.453 1.00 40.11 N ATOM 0 H GLN A 76 -6.387 5.408 0.462 1.00 12.23 H new ATOM 0 HA GLN A 76 -7.154 3.162 2.257 1.00 32.44 H new ATOM 0 HB2 GLN A 76 -8.760 5.051 1.881 1.00 73.11 H new ATOM 0 HB3 GLN A 76 -8.680 4.769 0.154 1.00 73.11 H new ATOM 0 HG2 GLN A 76 -9.625 2.460 0.529 1.00 21.43 H new ATOM 0 HG3 GLN A 76 -9.788 2.836 2.233 1.00 21.43 H new ATOM 0 HE21 GLN A 76 -11.875 2.132 0.243 1.00 40.11 H new ATOM 0 HE22 GLN A 76 -13.028 3.470 0.266 1.00 40.11 H new ATOM 1184 N CYS A 77 -6.250 1.510 0.590 1.00 75.51 N ATOM 1185 CA CYS A 77 -5.936 0.392 -0.325 1.00 73.10 C ATOM 1186 C CYS A 77 -7.098 -0.622 -0.336 1.00 42.52 C ATOM 1187 O CYS A 77 -7.224 -1.454 0.566 1.00 11.11 O ATOM 1188 CB CYS A 77 -4.614 -0.305 0.075 1.00 50.40 C ATOM 1189 SG CYS A 77 -4.136 -1.655 -1.032 1.00 41.33 S ATOM 0 H CYS A 77 -5.921 1.365 1.545 1.00 75.51 H new ATOM 0 HA CYS A 77 -5.808 0.798 -1.329 1.00 73.10 H new ATOM 0 HB2 CYS A 77 -3.815 0.436 0.095 1.00 50.40 H new ATOM 0 HB3 CYS A 77 -4.712 -0.696 1.088 1.00 50.40 H new ATOM 0 HG CYS A 77 -3.512 -2.572 -0.354 1.00 41.33 H new ATOM 1195 N VAL A 78 -7.970 -0.514 -1.350 1.00 31.11 N ATOM 1196 CA VAL A 78 -9.169 -1.362 -1.481 1.00 53.31 C ATOM 1197 C VAL A 78 -8.830 -2.659 -2.251 1.00 60.15 C ATOM 1198 O VAL A 78 -8.410 -2.603 -3.413 1.00 11.05 O ATOM 1199 CB VAL A 78 -10.337 -0.600 -2.217 1.00 2.54 C ATOM 1200 CG1 VAL A 78 -11.666 -1.405 -2.161 1.00 11.14 C ATOM 1201 CG2 VAL A 78 -10.514 0.831 -1.651 1.00 64.43 C ATOM 0 H VAL A 78 -7.865 0.164 -2.104 1.00 31.11 H new ATOM 0 HA VAL A 78 -9.504 -1.614 -0.475 1.00 53.31 H new ATOM 0 HB VAL A 78 -10.061 -0.507 -3.267 1.00 2.54 H new ATOM 0 HG11 VAL A 78 -12.449 -0.851 -2.678 1.00 11.14 H new ATOM 0 HG12 VAL A 78 -11.526 -2.372 -2.645 1.00 11.14 H new ATOM 0 HG13 VAL A 78 -11.955 -1.558 -1.121 1.00 11.14 H new ATOM 0 HG21 VAL A 78 -11.326 1.333 -2.177 1.00 64.43 H new ATOM 0 HG22 VAL A 78 -10.750 0.775 -0.588 1.00 64.43 H new ATOM 0 HG23 VAL A 78 -9.591 1.393 -1.789 1.00 64.43 H new ATOM 1211 N ALA A 79 -8.994 -3.816 -1.588 1.00 63.32 N ATOM 1212 CA ALA A 79 -8.814 -5.137 -2.229 1.00 13.31 C ATOM 1213 C ALA A 79 -10.007 -5.478 -3.147 1.00 31.21 C ATOM 1214 O ALA A 79 -9.833 -5.919 -4.287 1.00 43.11 O ATOM 1215 CB ALA A 79 -8.634 -6.227 -1.167 1.00 50.34 C ATOM 0 H ALA A 79 -9.252 -3.867 -0.603 1.00 63.32 H new ATOM 0 HA ALA A 79 -7.915 -5.092 -2.844 1.00 13.31 H new ATOM 0 HB1 ALA A 79 -8.503 -7.193 -1.655 1.00 50.34 H new ATOM 0 HB2 ALA A 79 -7.755 -6.004 -0.562 1.00 50.34 H new ATOM 0 HB3 ALA A 79 -9.516 -6.261 -0.527 1.00 50.34 H new ATOM 1221 N GLY A 80 -11.213 -5.252 -2.613 1.00 34.11 N ATOM 1222 CA GLY A 80 -12.475 -5.613 -3.274 1.00 13.11 C ATOM 1223 C GLY A 80 -13.456 -6.203 -2.273 1.00 44.11 C ATOM 1224 O GLY A 80 -14.607 -5.764 -2.176 1.00 33.54 O ATOM 0 H GLY A 80 -11.343 -4.810 -1.703 1.00 34.11 H new ATOM 0 HA2 GLY A 80 -12.912 -4.731 -3.742 1.00 13.11 H new ATOM 0 HA3 GLY A 80 -12.282 -6.333 -4.069 1.00 13.11 H new ATOM 1228 N ASP A 81 -12.991 -7.226 -1.533 1.00 24.30 N ATOM 1229 CA ASP A 81 -13.721 -7.784 -0.380 1.00 31.11 C ATOM 1230 C ASP A 81 -13.371 -6.959 0.883 1.00 64.11 C ATOM 1231 O ASP A 81 -14.253 -6.401 1.537 1.00 5.43 O ATOM 1232 CB ASP A 81 -13.361 -9.282 -0.203 1.00 3.24 C ATOM 1233 CG ASP A 81 -14.091 -9.957 0.969 1.00 73.25 C ATOM 1234 OD1 ASP A 81 -15.294 -10.260 0.832 1.00 50.21 O ATOM 1235 OD2 ASP A 81 -13.472 -10.181 2.033 1.00 64.12 O ATOM 0 H ASP A 81 -12.101 -7.688 -1.717 1.00 24.30 H new ATOM 0 HA ASP A 81 -14.796 -7.722 -0.547 1.00 31.11 H new ATOM 0 HB2 ASP A 81 -13.599 -9.815 -1.123 1.00 3.24 H new ATOM 0 HB3 ASP A 81 -12.286 -9.373 -0.051 1.00 3.24 H new ATOM 1240 N GLU A 82 -12.059 -6.875 1.196 1.00 62.01 N ATOM 1241 CA GLU A 82 -11.538 -6.084 2.346 1.00 54.02 C ATOM 1242 C GLU A 82 -10.869 -4.756 1.882 1.00 71.44 C ATOM 1243 O GLU A 82 -10.830 -4.447 0.682 1.00 42.41 O ATOM 1244 CB GLU A 82 -10.535 -6.944 3.171 1.00 42.11 C ATOM 1245 CG GLU A 82 -11.104 -8.286 3.672 1.00 71.01 C ATOM 1246 CD GLU A 82 -10.227 -8.952 4.747 1.00 24.54 C ATOM 1247 OE1 GLU A 82 -9.120 -9.418 4.419 1.00 51.32 O ATOM 1248 OE2 GLU A 82 -10.637 -8.996 5.927 1.00 43.14 O ATOM 0 H GLU A 82 -11.329 -7.350 0.664 1.00 62.01 H new ATOM 0 HA GLU A 82 -12.384 -5.814 2.978 1.00 54.02 H new ATOM 0 HB2 GLU A 82 -9.656 -7.143 2.557 1.00 42.11 H new ATOM 0 HB3 GLU A 82 -10.199 -6.363 4.030 1.00 42.11 H new ATOM 0 HG2 GLU A 82 -12.102 -8.121 4.077 1.00 71.01 H new ATOM 0 HG3 GLU A 82 -11.211 -8.966 2.827 1.00 71.01 H new ATOM 1255 N CYS A 83 -10.357 -3.973 2.858 1.00 74.22 N ATOM 1256 CA CYS A 83 -9.664 -2.686 2.603 1.00 4.33 C ATOM 1257 C CYS A 83 -8.666 -2.357 3.744 1.00 54.11 C ATOM 1258 O CYS A 83 -9.050 -2.320 4.915 1.00 41.12 O ATOM 1259 CB CYS A 83 -10.679 -1.530 2.449 1.00 52.03 C ATOM 1260 SG CYS A 83 -9.911 0.075 2.129 1.00 34.12 S ATOM 0 H CYS A 83 -10.412 -4.215 3.847 1.00 74.22 H new ATOM 0 HA CYS A 83 -9.110 -2.793 1.671 1.00 4.33 H new ATOM 0 HB2 CYS A 83 -11.362 -1.765 1.633 1.00 52.03 H new ATOM 0 HB3 CYS A 83 -11.278 -1.461 3.357 1.00 52.03 H new ATOM 0 HG CYS A 83 -10.157 0.879 3.120 1.00 34.12 H new ATOM 1266 N ALA A 84 -7.387 -2.130 3.380 1.00 70.41 N ATOM 1267 CA ALA A 84 -6.308 -1.749 4.325 1.00 12.45 C ATOM 1268 C ALA A 84 -6.150 -0.211 4.371 1.00 63.54 C ATOM 1269 O ALA A 84 -6.058 0.441 3.325 1.00 34.20 O ATOM 1270 CB ALA A 84 -4.979 -2.417 3.912 1.00 13.13 C ATOM 0 H ALA A 84 -7.068 -2.206 2.414 1.00 70.41 H new ATOM 0 HA ALA A 84 -6.577 -2.097 5.322 1.00 12.45 H new ATOM 0 HB1 ALA A 84 -4.195 -2.130 4.612 1.00 13.13 H new ATOM 0 HB2 ALA A 84 -5.097 -3.500 3.923 1.00 13.13 H new ATOM 0 HB3 ALA A 84 -4.705 -2.093 2.908 1.00 13.13 H new ATOM 1276 N TYR A 85 -6.128 0.360 5.589 1.00 33.21 N ATOM 1277 CA TYR A 85 -6.061 1.826 5.802 1.00 42.33 C ATOM 1278 C TYR A 85 -4.665 2.267 6.301 1.00 12.35 C ATOM 1279 O TYR A 85 -4.105 1.685 7.232 1.00 54.15 O ATOM 1280 CB TYR A 85 -7.162 2.265 6.802 1.00 24.25 C ATOM 1281 CG TYR A 85 -8.588 1.993 6.296 1.00 2.32 C ATOM 1282 CD1 TYR A 85 -9.228 2.886 5.429 1.00 40.31 C ATOM 1283 CD2 TYR A 85 -9.288 0.838 6.667 1.00 70.01 C ATOM 1284 CE1 TYR A 85 -10.506 2.640 4.959 1.00 44.44 C ATOM 1285 CE2 TYR A 85 -10.565 0.590 6.193 1.00 52.23 C ATOM 1286 CZ TYR A 85 -11.168 1.493 5.342 1.00 72.32 C ATOM 1287 OH TYR A 85 -12.442 1.246 4.871 1.00 24.21 O ATOM 0 H TYR A 85 -6.156 -0.177 6.456 1.00 33.21 H new ATOM 0 HA TYR A 85 -6.233 2.315 4.843 1.00 42.33 H new ATOM 0 HB2 TYR A 85 -7.014 1.743 7.747 1.00 24.25 H new ATOM 0 HB3 TYR A 85 -7.054 3.330 7.006 1.00 24.25 H new ATOM 0 HD1 TYR A 85 -8.714 3.785 5.121 1.00 40.31 H new ATOM 0 HD2 TYR A 85 -8.823 0.128 7.335 1.00 70.01 H new ATOM 0 HE1 TYR A 85 -10.983 3.344 4.294 1.00 44.44 H new ATOM 0 HE2 TYR A 85 -11.088 -0.308 6.489 1.00 52.23 H new ATOM 0 HH TYR A 85 -12.766 0.396 5.235 1.00 24.21 H new ATOM 1297 N PHE A 86 -4.111 3.293 5.640 1.00 73.03 N ATOM 1298 CA PHE A 86 -2.804 3.901 5.973 1.00 61.42 C ATOM 1299 C PHE A 86 -3.023 5.374 6.385 1.00 40.43 C ATOM 1300 O PHE A 86 -3.892 6.058 5.830 1.00 41.24 O ATOM 1301 CB PHE A 86 -1.840 3.815 4.752 1.00 42.34 C ATOM 1302 CG PHE A 86 -1.475 2.388 4.315 1.00 40.34 C ATOM 1303 CD1 PHE A 86 -2.419 1.556 3.703 1.00 70.43 C ATOM 1304 CD2 PHE A 86 -0.192 1.877 4.518 1.00 73.23 C ATOM 1305 CE1 PHE A 86 -2.093 0.270 3.315 1.00 12.43 C ATOM 1306 CE2 PHE A 86 0.133 0.590 4.126 1.00 12.05 C ATOM 1307 CZ PHE A 86 -0.816 -0.213 3.528 1.00 55.41 C ATOM 0 H PHE A 86 -4.564 3.737 4.841 1.00 73.03 H new ATOM 0 HA PHE A 86 -2.350 3.357 6.801 1.00 61.42 H new ATOM 0 HB2 PHE A 86 -2.298 4.332 3.909 1.00 42.34 H new ATOM 0 HB3 PHE A 86 -0.922 4.351 4.994 1.00 42.34 H new ATOM 0 HD1 PHE A 86 -3.419 1.925 3.531 1.00 70.43 H new ATOM 0 HD2 PHE A 86 0.558 2.495 4.988 1.00 73.23 H new ATOM 0 HE1 PHE A 86 -2.836 -0.357 2.845 1.00 12.43 H new ATOM 0 HE2 PHE A 86 1.132 0.213 4.289 1.00 12.05 H new ATOM 0 HZ PHE A 86 -0.561 -1.218 3.227 1.00 55.41 H new ATOM 1317 N THR A 87 -2.250 5.852 7.371 1.00 54.21 N ATOM 1318 CA THR A 87 -2.347 7.244 7.881 1.00 44.31 C ATOM 1319 C THR A 87 -0.937 7.831 8.090 1.00 23.23 C ATOM 1320 O THR A 87 -0.232 7.468 9.038 1.00 21.45 O ATOM 1321 CB THR A 87 -3.170 7.307 9.217 1.00 55.22 C ATOM 1322 OG1 THR A 87 -4.487 6.757 9.007 1.00 4.32 O ATOM 1323 CG2 THR A 87 -3.311 8.746 9.761 1.00 42.13 C ATOM 0 H THR A 87 -1.539 5.293 7.842 1.00 54.21 H new ATOM 0 HA THR A 87 -2.874 7.841 7.137 1.00 44.31 H new ATOM 0 HB THR A 87 -2.620 6.723 9.955 1.00 55.22 H new ATOM 0 HG1 THR A 87 -4.996 6.797 9.844 1.00 4.32 H new ATOM 0 HG21 THR A 87 -3.889 8.731 10.685 1.00 42.13 H new ATOM 0 HG22 THR A 87 -2.322 9.159 9.958 1.00 42.13 H new ATOM 0 HG23 THR A 87 -3.822 9.365 9.024 1.00 42.13 H new ATOM 1331 N VAL A 88 -0.529 8.729 7.179 1.00 51.31 N ATOM 1332 CA VAL A 88 0.807 9.358 7.195 1.00 44.03 C ATOM 1333 C VAL A 88 0.746 10.757 7.865 1.00 10.40 C ATOM 1334 O VAL A 88 -0.119 11.574 7.541 1.00 60.04 O ATOM 1335 CB VAL A 88 1.389 9.473 5.731 1.00 43.11 C ATOM 1336 CG1 VAL A 88 2.812 10.090 5.720 1.00 64.41 C ATOM 1337 CG2 VAL A 88 1.371 8.094 5.014 1.00 65.13 C ATOM 0 H VAL A 88 -1.117 9.042 6.406 1.00 51.31 H new ATOM 0 HA VAL A 88 1.473 8.724 7.780 1.00 44.03 H new ATOM 0 HB VAL A 88 0.740 10.152 5.178 1.00 43.11 H new ATOM 0 HG11 VAL A 88 3.174 10.151 4.694 1.00 64.41 H new ATOM 0 HG12 VAL A 88 2.778 11.090 6.153 1.00 64.41 H new ATOM 0 HG13 VAL A 88 3.485 9.464 6.306 1.00 64.41 H new ATOM 0 HG21 VAL A 88 1.777 8.202 4.008 1.00 65.13 H new ATOM 0 HG22 VAL A 88 1.977 7.384 5.576 1.00 65.13 H new ATOM 0 HG23 VAL A 88 0.346 7.728 4.954 1.00 65.13 H new ATOM 1347 N THR A 89 1.663 11.003 8.816 1.00 35.22 N ATOM 1348 CA THR A 89 1.813 12.305 9.507 1.00 50.32 C ATOM 1349 C THR A 89 3.267 12.810 9.362 1.00 51.42 C ATOM 1350 O THR A 89 4.203 12.203 9.901 1.00 1.12 O ATOM 1351 CB THR A 89 1.435 12.193 11.028 1.00 60.13 C ATOM 1352 OG1 THR A 89 0.074 11.733 11.166 1.00 74.13 O ATOM 1353 CG2 THR A 89 1.592 13.530 11.784 1.00 2.12 C ATOM 0 H THR A 89 2.330 10.300 9.133 1.00 35.22 H new ATOM 0 HA THR A 89 1.130 13.016 9.042 1.00 50.32 H new ATOM 0 HB THR A 89 2.129 11.478 11.470 1.00 60.13 H new ATOM 0 HG1 THR A 89 0.055 10.931 11.728 1.00 74.13 H new ATOM 0 HG21 THR A 89 1.317 13.391 12.830 1.00 2.12 H new ATOM 0 HG22 THR A 89 2.628 13.863 11.723 1.00 2.12 H new ATOM 0 HG23 THR A 89 0.942 14.281 11.334 1.00 2.12 H new ATOM 1361 N ILE A 90 3.438 13.911 8.613 1.00 3.23 N ATOM 1362 CA ILE A 90 4.755 14.519 8.330 1.00 43.32 C ATOM 1363 C ILE A 90 5.009 15.722 9.255 1.00 42.22 C ATOM 1364 O ILE A 90 5.109 15.577 10.478 1.00 34.14 O ATOM 1365 CB ILE A 90 4.844 14.973 6.825 1.00 2.23 C ATOM 1366 CG1 ILE A 90 4.449 13.791 5.883 1.00 24.41 C ATOM 1367 CG2 ILE A 90 6.253 15.523 6.474 1.00 4.23 C ATOM 1368 CD1 ILE A 90 4.449 14.120 4.406 1.00 23.15 C ATOM 0 H ILE A 90 2.661 14.411 8.181 1.00 3.23 H new ATOM 0 HA ILE A 90 5.520 13.766 8.517 1.00 43.32 H new ATOM 0 HB ILE A 90 4.137 15.789 6.675 1.00 2.23 H new ATOM 0 HG12 ILE A 90 5.138 12.964 6.055 1.00 24.41 H new ATOM 0 HG13 ILE A 90 3.455 13.441 6.162 1.00 24.41 H new ATOM 0 HG21 ILE A 90 6.275 15.826 5.427 1.00 4.23 H new ATOM 0 HG22 ILE A 90 6.476 16.383 7.105 1.00 4.23 H new ATOM 0 HG23 ILE A 90 6.999 14.746 6.643 1.00 4.23 H new ATOM 0 HD11 ILE A 90 4.162 13.236 3.836 1.00 23.15 H new ATOM 0 HD12 ILE A 90 3.738 14.923 4.212 1.00 23.15 H new ATOM 0 HD13 ILE A 90 5.447 14.438 4.104 1.00 23.15 H new