USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 481 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 127 SER OG : rot 57:sc= 1.31 USER MOD Set 1.2: A 130 THR OG1 : rot -20:sc= 2.14 USER MOD Set 2.1: A 105 ASN : amide:sc= -0.394 K(o=1.3,f=-11!) USER MOD Set 2.2: A 108 LYS NZ :NH3+ -172:sc= 1.74 (180deg=1.01) USER MOD Single : A 84 HIS : no HE2:sc= 0.351 K(o=0.35,f=-4!) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc=-0.000418 (180deg=-0.0536) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0673 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.974 K(o=0.97,f=-5.4!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -2.5 K(o=-2.5,f=-7.6!) USER MOD Single : A 107 HIS : no HD1:sc= 1.05 K(o=1.1,f=-5.3!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 130:sc= 0.339 USER MOD Single : A 117 SER OG : rot -39:sc= 0.345 USER MOD Single : A 120 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 168:sc= -2.15 (180deg=-2.61!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 78:sc= 1.18 USER MOD Single : A 138 ASN : amide:sc= -1.17 K(o=-1.2,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 7.398 3.823 -2.735 1.00 0.00 N ATOM 62 CA ASP A 80 7.776 2.488 -3.171 1.00 0.00 C ATOM 63 C ASP A 80 8.231 1.681 -1.976 1.00 0.00 C ATOM 64 O ASP A 80 9.381 1.786 -1.547 1.00 0.00 O ATOM 65 CB ASP A 80 8.899 2.538 -4.225 1.00 0.00 C ATOM 66 CG ASP A 80 9.428 1.159 -4.604 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.717 0.405 -5.293 1.00 0.00 O ATOM 68 OD2 ASP A 80 10.575 0.830 -4.223 1.00 0.00 O ATOM 0 HA ASP A 80 6.906 2.017 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.526 3.036 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.721 3.143 -3.842 1.00 0.00 H new ATOM 73 N LEU A 81 7.326 0.930 -1.400 1.00 0.00 N ATOM 74 CA LEU A 81 7.666 0.084 -0.277 1.00 0.00 C ATOM 75 C LEU A 81 7.620 -1.359 -0.700 1.00 0.00 C ATOM 76 O LEU A 81 6.699 -1.776 -1.394 1.00 0.00 O ATOM 77 CB LEU A 81 6.722 0.306 0.909 1.00 0.00 C ATOM 78 CG LEU A 81 7.068 -0.498 2.174 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.380 -0.023 2.773 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.949 -0.418 3.198 1.00 0.00 C ATOM 0 H LEU A 81 6.348 0.885 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 81 8.673 0.346 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.721 1.367 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.708 0.051 0.600 1.00 0.00 H new ATOM 0 HG LEU A 81 7.183 -1.543 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.604 -0.606 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.181 -0.153 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.298 1.031 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.222 -0.996 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.788 0.622 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.033 -0.823 2.768 1.00 0.00 H new ATOM 92 N ILE A 82 8.609 -2.117 -0.309 1.00 0.00 N ATOM 93 CA ILE A 82 8.645 -3.507 -0.659 1.00 0.00 C ATOM 94 C ILE A 82 8.094 -4.355 0.479 1.00 0.00 C ATOM 95 O ILE A 82 8.317 -4.059 1.655 1.00 0.00 O ATOM 96 CB ILE A 82 10.064 -3.976 -1.032 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.727 -2.964 -1.958 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.994 -5.322 -1.715 1.00 0.00 C ATOM 99 CD1 ILE A 82 12.102 -3.375 -2.427 1.00 0.00 C ATOM 0 H ILE A 82 9.398 -1.794 0.251 1.00 0.00 H new ATOM 0 HA ILE A 82 8.017 -3.634 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 82 10.657 -4.063 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.088 -2.809 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.801 -2.007 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.000 -5.650 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.540 -6.049 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.392 -5.240 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.509 -2.604 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.757 -3.502 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.034 -4.316 -2.973 1.00 0.00 H new ATOM 111 N VAL A 83 7.376 -5.400 0.125 1.00 0.00 N ATOM 112 CA VAL A 83 6.748 -6.284 1.084 1.00 0.00 C ATOM 113 C VAL A 83 6.894 -7.721 0.619 1.00 0.00 C ATOM 114 O VAL A 83 7.444 -7.979 -0.451 1.00 0.00 O ATOM 115 CB VAL A 83 5.243 -5.969 1.251 1.00 0.00 C ATOM 116 CG1 VAL A 83 5.038 -4.606 1.895 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.533 -6.038 -0.093 1.00 0.00 C ATOM 0 H VAL A 83 7.210 -5.662 -0.847 1.00 0.00 H new ATOM 0 HA VAL A 83 7.242 -6.136 2.044 1.00 0.00 H new ATOM 0 HB VAL A 83 4.811 -6.721 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.971 -4.410 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.508 -4.594 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.488 -3.836 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.475 -5.814 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.974 -5.311 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.641 -7.039 -0.511 1.00 0.00 H new ATOM 127 N HIS A 84 6.403 -8.648 1.405 1.00 0.00 N ATOM 128 CA HIS A 84 6.482 -10.048 1.046 1.00 0.00 C ATOM 129 C HIS A 84 5.106 -10.669 0.885 1.00 0.00 C ATOM 130 O HIS A 84 4.272 -10.618 1.790 1.00 0.00 O ATOM 131 CB HIS A 84 7.319 -10.841 2.052 1.00 0.00 C ATOM 132 CG HIS A 84 8.780 -10.520 2.007 1.00 0.00 C ATOM 133 ND1 HIS A 84 9.714 -11.321 1.374 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.470 -9.476 2.514 1.00 0.00 C ATOM 135 CE1 HIS A 84 10.908 -10.777 1.499 1.00 0.00 C ATOM 136 NE2 HIS A 84 10.786 -9.661 2.183 1.00 0.00 N ATOM 0 H HIS A 84 5.945 -8.461 2.297 1.00 0.00 H new ATOM 0 HA HIS A 84 6.983 -10.096 0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.944 -10.645 3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.184 -11.906 1.863 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.511 -12.194 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.061 -8.649 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.830 -11.180 1.106 1.00 0.00 H new ATOM 145 N GLU A 85 4.888 -11.248 -0.277 1.00 0.00 N ATOM 146 CA GLU A 85 3.646 -11.939 -0.605 1.00 0.00 C ATOM 147 C GLU A 85 3.939 -13.416 -0.797 1.00 0.00 C ATOM 148 O GLU A 85 4.512 -13.816 -1.818 1.00 0.00 O ATOM 149 CB GLU A 85 3.038 -11.365 -1.886 1.00 0.00 C ATOM 150 CG GLU A 85 2.562 -9.932 -1.762 1.00 0.00 C ATOM 151 CD GLU A 85 1.229 -9.820 -1.070 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.137 -10.156 0.131 1.00 0.00 O ATOM 153 OE2 GLU A 85 0.259 -9.375 -1.721 1.00 0.00 O ATOM 0 H GLU A 85 5.572 -11.255 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 85 2.934 -11.802 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.779 -11.422 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.197 -11.990 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.303 -9.354 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.489 -9.490 -2.756 1.00 0.00 H new ATOM 160 N GLY A 86 3.585 -14.220 0.190 1.00 0.00 N ATOM 161 CA GLY A 86 3.867 -15.642 0.122 1.00 0.00 C ATOM 162 C GLY A 86 5.358 -15.913 0.195 1.00 0.00 C ATOM 163 O GLY A 86 5.828 -16.986 -0.183 1.00 0.00 O ATOM 0 H GLY A 86 3.107 -13.917 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.362 -16.155 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.466 -16.050 -0.806 1.00 0.00 H new ATOM 167 N GLY A 87 6.091 -14.922 0.676 1.00 0.00 N ATOM 168 CA GLY A 87 7.527 -15.036 0.786 1.00 0.00 C ATOM 169 C GLY A 87 8.261 -14.207 -0.255 1.00 0.00 C ATOM 170 O GLY A 87 9.372 -13.725 0.000 1.00 0.00 O ATOM 0 H GLY A 87 5.710 -14.031 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.838 -14.720 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.814 -16.082 0.680 1.00 0.00 H new ATOM 174 N LYS A 88 7.636 -14.010 -1.412 1.00 0.00 N ATOM 175 CA LYS A 88 8.259 -13.263 -2.506 1.00 0.00 C ATOM 176 C LYS A 88 8.121 -11.765 -2.276 1.00 0.00 C ATOM 177 O LYS A 88 7.206 -11.325 -1.599 1.00 0.00 O ATOM 178 CB LYS A 88 7.628 -13.646 -3.848 1.00 0.00 C ATOM 179 CG LYS A 88 7.830 -15.103 -4.244 1.00 0.00 C ATOM 180 CD LYS A 88 9.308 -15.455 -4.332 1.00 0.00 C ATOM 181 CE LYS A 88 9.523 -16.849 -4.905 1.00 0.00 C ATOM 182 NZ LYS A 88 8.857 -17.903 -4.096 1.00 0.00 N ATOM 0 H LYS A 88 6.699 -14.356 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 88 9.318 -13.519 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.559 -13.438 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.046 -13.009 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.343 -15.751 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.352 -15.290 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.820 -14.722 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.755 -15.397 -3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.141 -16.882 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.592 -17.056 -4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.115 -18.840 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.163 -17.826 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.825 -17.782 -4.150 1.00 0.00 H new ATOM 196 N THR A 89 9.026 -10.992 -2.831 1.00 0.00 N ATOM 197 CA THR A 89 8.996 -9.558 -2.649 1.00 0.00 C ATOM 198 C THR A 89 8.126 -8.855 -3.688 1.00 0.00 C ATOM 199 O THR A 89 8.261 -9.079 -4.897 1.00 0.00 O ATOM 200 CB THR A 89 10.407 -8.965 -2.674 1.00 0.00 C ATOM 201 OG1 THR A 89 11.345 -9.964 -3.091 1.00 0.00 O ATOM 202 CG2 THR A 89 10.785 -8.456 -1.302 1.00 0.00 C ATOM 0 H THR A 89 9.792 -11.332 -3.412 1.00 0.00 H new ATOM 0 HA THR A 89 8.552 -9.386 -1.668 1.00 0.00 H new ATOM 0 HB THR A 89 10.426 -8.133 -3.378 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.246 -9.580 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.791 -8.037 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.080 -7.684 -0.993 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.757 -9.279 -0.588 1.00 0.00 H new ATOM 210 N TYR A 90 7.219 -8.025 -3.199 1.00 0.00 N ATOM 211 CA TYR A 90 6.339 -7.227 -4.037 1.00 0.00 C ATOM 212 C TYR A 90 6.452 -5.765 -3.661 1.00 0.00 C ATOM 213 O TYR A 90 6.772 -5.436 -2.527 1.00 0.00 O ATOM 214 CB TYR A 90 4.886 -7.686 -3.904 1.00 0.00 C ATOM 215 CG TYR A 90 4.571 -8.923 -4.700 1.00 0.00 C ATOM 216 CD1 TYR A 90 5.141 -10.140 -4.376 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.707 -8.870 -5.783 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.869 -11.272 -5.108 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.423 -9.997 -6.519 1.00 0.00 C ATOM 220 CZ TYR A 90 4.006 -11.196 -6.180 1.00 0.00 C ATOM 221 OH TYR A 90 3.733 -12.321 -6.920 1.00 0.00 O ATOM 0 H TYR A 90 7.072 -7.885 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 90 6.646 -7.360 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.668 -7.875 -2.853 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.228 -6.879 -4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.812 -10.203 -3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.250 -7.929 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.328 -12.213 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.746 -9.941 -7.359 1.00 0.00 H new ATOM 0 HH TYR A 90 3.106 -12.096 -7.638 1.00 0.00 H new ATOM 231 N HIS A 91 6.202 -4.901 -4.612 1.00 0.00 N ATOM 232 CA HIS A 91 6.287 -3.468 -4.379 1.00 0.00 C ATOM 233 C HIS A 91 4.913 -2.859 -4.175 1.00 0.00 C ATOM 234 O HIS A 91 3.917 -3.342 -4.718 1.00 0.00 O ATOM 235 CB HIS A 91 6.983 -2.765 -5.547 1.00 0.00 C ATOM 236 CG HIS A 91 8.439 -3.079 -5.672 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.422 -2.128 -5.554 1.00 0.00 N ATOM 238 CD2 HIS A 91 9.077 -4.244 -5.927 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.599 -2.687 -5.731 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.418 -3.971 -5.959 1.00 0.00 N ATOM 0 H HIS A 91 5.936 -5.159 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 91 6.873 -3.325 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.482 -3.043 -6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.864 -1.688 -5.431 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.264 -1.139 -5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.615 -5.209 -6.077 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.552 -2.179 -5.695 1.00 0.00 H new ATOM 249 N VAL A 92 4.864 -1.816 -3.379 1.00 0.00 N ATOM 250 CA VAL A 92 3.646 -1.077 -3.148 1.00 0.00 C ATOM 251 C VAL A 92 3.858 0.362 -3.566 1.00 0.00 C ATOM 252 O VAL A 92 4.720 1.058 -3.018 1.00 0.00 O ATOM 253 CB VAL A 92 3.224 -1.104 -1.666 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.888 -0.399 -1.474 1.00 0.00 C ATOM 255 CG2 VAL A 92 3.161 -2.530 -1.140 1.00 0.00 C ATOM 0 H VAL A 92 5.672 -1.455 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 92 2.855 -1.546 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 92 3.980 -0.568 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.609 -0.430 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.974 0.639 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.123 -0.901 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.861 -2.518 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.434 -3.100 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.143 -2.995 -1.231 1.00 0.00 H new ATOM 265 N VAL A 93 3.091 0.796 -4.534 1.00 0.00 N ATOM 266 CA VAL A 93 3.188 2.147 -5.054 1.00 0.00 C ATOM 267 C VAL A 93 1.799 2.757 -5.146 1.00 0.00 C ATOM 268 O VAL A 93 0.872 2.133 -5.672 1.00 0.00 O ATOM 269 CB VAL A 93 3.848 2.170 -6.465 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.962 3.595 -6.990 1.00 0.00 C ATOM 271 CG2 VAL A 93 5.218 1.502 -6.437 1.00 0.00 C ATOM 0 H VAL A 93 2.378 0.225 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 93 3.813 2.724 -4.372 1.00 0.00 H new ATOM 0 HB VAL A 93 3.206 1.606 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.426 3.583 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.968 4.037 -7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.574 4.186 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.657 1.531 -7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.867 2.031 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.111 0.465 -6.118 1.00 0.00 H new ATOM 281 N CYS A 94 1.646 3.959 -4.641 1.00 0.00 N ATOM 282 CA CYS A 94 0.362 4.622 -4.667 1.00 0.00 C ATOM 283 C CYS A 94 0.402 5.842 -5.564 1.00 0.00 C ATOM 284 O CYS A 94 1.383 6.586 -5.573 1.00 0.00 O ATOM 285 CB CYS A 94 -0.072 5.009 -3.261 1.00 0.00 C ATOM 286 SG CYS A 94 -0.412 3.588 -2.179 1.00 0.00 S ATOM 0 H CYS A 94 2.395 4.498 -4.207 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.370 3.924 -5.074 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.707 5.621 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.967 5.627 -3.325 1.00 0.00 H new ATOM 291 N HIS A 95 -0.655 6.031 -6.333 1.00 0.00 N ATOM 292 CA HIS A 95 -0.752 7.162 -7.241 1.00 0.00 C ATOM 293 C HIS A 95 -1.947 8.034 -6.876 1.00 0.00 C ATOM 294 O HIS A 95 -2.010 9.208 -7.242 1.00 0.00 O ATOM 295 CB HIS A 95 -0.874 6.688 -8.696 1.00 0.00 C ATOM 296 CG HIS A 95 0.284 5.867 -9.179 1.00 0.00 C ATOM 297 ND1 HIS A 95 1.346 6.396 -9.876 1.00 0.00 N ATOM 298 CD2 HIS A 95 0.533 4.542 -9.075 1.00 0.00 C ATOM 299 CE1 HIS A 95 2.195 5.436 -10.177 1.00 0.00 C ATOM 300 NE2 HIS A 95 1.726 4.300 -9.702 1.00 0.00 N ATOM 0 H HIS A 95 -1.465 5.411 -6.347 1.00 0.00 H new ATOM 0 HA HIS A 95 0.160 7.751 -7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.787 6.102 -8.799 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -0.980 7.560 -9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.093 3.810 -8.587 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.120 5.559 -10.721 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.178 3.389 -9.787 1.00 0.00 H new ATOM 309 N GLU A 96 -2.880 7.459 -6.135 1.00 0.00 N ATOM 310 CA GLU A 96 -4.077 8.163 -5.709 1.00 0.00 C ATOM 311 C GLU A 96 -4.216 8.069 -4.206 1.00 0.00 C ATOM 312 O GLU A 96 -3.893 7.039 -3.613 1.00 0.00 O ATOM 313 CB GLU A 96 -5.347 7.584 -6.361 1.00 0.00 C ATOM 314 CG GLU A 96 -5.543 7.918 -7.836 1.00 0.00 C ATOM 315 CD GLU A 96 -4.665 7.108 -8.763 1.00 0.00 C ATOM 316 OE1 GLU A 96 -4.869 5.884 -8.861 1.00 0.00 O ATOM 317 OE2 GLU A 96 -3.786 7.698 -9.424 1.00 0.00 O ATOM 0 H GLU A 96 -2.829 6.493 -5.813 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.973 9.202 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.327 6.500 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.214 7.944 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.587 7.752 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.339 8.978 -7.990 1.00 0.00 H new ATOM 324 N GLU A 97 -4.670 9.136 -3.587 1.00 0.00 N ATOM 325 CA GLU A 97 -4.896 9.127 -2.160 1.00 0.00 C ATOM 326 C GLU A 97 -6.182 8.384 -1.848 1.00 0.00 C ATOM 327 O GLU A 97 -7.283 8.897 -2.069 1.00 0.00 O ATOM 328 CB GLU A 97 -4.950 10.546 -1.589 1.00 0.00 C ATOM 329 CG GLU A 97 -3.695 11.366 -1.849 1.00 0.00 C ATOM 330 CD GLU A 97 -3.817 12.263 -3.058 1.00 0.00 C ATOM 331 OE1 GLU A 97 -3.881 11.742 -4.191 1.00 0.00 O ATOM 332 OE2 GLU A 97 -3.873 13.500 -2.877 1.00 0.00 O ATOM 0 H GLU A 97 -4.889 10.019 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.058 8.615 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.807 11.066 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.117 10.488 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.477 11.975 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.849 10.692 -1.987 1.00 0.00 H new ATOM 339 N GLY A 98 -6.038 7.174 -1.370 1.00 0.00 N ATOM 340 CA GLY A 98 -7.171 6.353 -1.048 1.00 0.00 C ATOM 341 C GLY A 98 -6.772 4.911 -0.887 1.00 0.00 C ATOM 342 O GLY A 98 -5.634 4.550 -1.190 1.00 0.00 O ATOM 0 H GLY A 98 -5.135 6.734 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.632 6.710 -0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.921 6.440 -1.834 1.00 0.00 H new ATOM 346 N PRO A 99 -7.663 4.070 -0.381 1.00 0.00 N ATOM 347 CA PRO A 99 -7.389 2.653 -0.202 1.00 0.00 C ATOM 348 C PRO A 99 -7.617 1.839 -1.483 1.00 0.00 C ATOM 349 O PRO A 99 -8.637 1.993 -2.165 1.00 0.00 O ATOM 350 CB PRO A 99 -8.385 2.250 0.876 1.00 0.00 C ATOM 351 CG PRO A 99 -9.554 3.154 0.666 1.00 0.00 C ATOM 352 CD PRO A 99 -9.012 4.436 0.088 1.00 0.00 C ATOM 0 HA PRO A 99 -6.348 2.465 0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.671 1.203 0.779 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.962 2.374 1.873 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.278 2.700 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.072 3.342 1.607 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.634 4.800 -0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.974 5.227 0.837 1.00 0.00 H new ATOM 360 N ILE A 100 -6.663 0.982 -1.795 1.00 0.00 N ATOM 361 CA ILE A 100 -6.739 0.105 -2.959 1.00 0.00 C ATOM 362 C ILE A 100 -6.193 -1.280 -2.607 1.00 0.00 C ATOM 363 O ILE A 100 -5.427 -1.409 -1.656 1.00 0.00 O ATOM 364 CB ILE A 100 -5.991 0.700 -4.202 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.698 1.441 -3.798 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.912 1.622 -4.997 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.556 0.536 -3.391 1.00 0.00 C ATOM 0 H ILE A 100 -5.809 0.871 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.789 0.016 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.702 -0.138 -4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.373 2.061 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.924 2.114 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.373 2.024 -5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.779 1.059 -5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.243 2.442 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.690 1.141 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.857 -0.066 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.298 -0.120 -4.222 1.00 0.00 H new ATOM 379 N PRO A 101 -6.597 -2.338 -3.344 1.00 0.00 N ATOM 380 CA PRO A 101 -6.155 -3.718 -3.068 1.00 0.00 C ATOM 381 C PRO A 101 -4.643 -3.903 -3.232 1.00 0.00 C ATOM 382 O PRO A 101 -3.953 -3.049 -3.791 1.00 0.00 O ATOM 383 CB PRO A 101 -6.912 -4.550 -4.110 1.00 0.00 C ATOM 384 CG PRO A 101 -7.235 -3.585 -5.192 1.00 0.00 C ATOM 385 CD PRO A 101 -7.504 -2.286 -4.498 1.00 0.00 C ATOM 0 HA PRO A 101 -6.360 -4.006 -2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.301 -5.373 -4.481 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.815 -4.989 -3.687 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.407 -3.491 -5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.103 -3.912 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.291 -1.432 -5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.546 -2.201 -4.190 1.00 0.00 H new ATOM 393 N HIS A 102 -4.140 -5.029 -2.755 1.00 0.00 N ATOM 394 CA HIS A 102 -2.722 -5.319 -2.811 1.00 0.00 C ATOM 395 C HIS A 102 -2.399 -6.084 -4.097 1.00 0.00 C ATOM 396 O HIS A 102 -3.090 -7.040 -4.437 1.00 0.00 O ATOM 397 CB HIS A 102 -2.311 -6.140 -1.578 1.00 0.00 C ATOM 398 CG HIS A 102 -0.887 -5.950 -1.163 1.00 0.00 C ATOM 399 ND1 HIS A 102 0.093 -6.876 -1.387 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.285 -4.923 -0.525 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.236 -6.431 -0.915 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.037 -5.247 -0.385 1.00 0.00 N ATOM 0 H HIS A 102 -4.701 -5.762 -2.321 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.161 -4.385 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.960 -5.872 -0.744 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.479 -7.197 -1.786 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.042 -7.775 -1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.760 -4.014 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.181 -6.952 -0.956 1.00 0.00 H new ATOM 411 N PRO A 103 -1.337 -5.666 -4.824 1.00 0.00 N ATOM 412 CA PRO A 103 -0.939 -6.278 -6.112 1.00 0.00 C ATOM 413 C PRO A 103 -0.750 -7.798 -6.030 1.00 0.00 C ATOM 414 O PRO A 103 -1.086 -8.524 -6.965 1.00 0.00 O ATOM 415 CB PRO A 103 0.397 -5.589 -6.448 1.00 0.00 C ATOM 416 CG PRO A 103 0.819 -4.909 -5.186 1.00 0.00 C ATOM 417 CD PRO A 103 -0.444 -4.558 -4.465 1.00 0.00 C ATOM 0 HA PRO A 103 -1.712 -6.138 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.143 -6.315 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.276 -4.872 -7.260 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.445 -5.564 -4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.406 -4.016 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.291 -4.494 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.841 -3.596 -4.789 1.00 0.00 H new ATOM 425 N GLY A 104 -0.205 -8.268 -4.917 1.00 0.00 N ATOM 426 CA GLY A 104 0.004 -9.692 -4.740 1.00 0.00 C ATOM 427 C GLY A 104 -1.301 -10.440 -4.544 1.00 0.00 C ATOM 428 O GLY A 104 -1.683 -11.273 -5.371 1.00 0.00 O ATOM 0 H GLY A 104 0.096 -7.689 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.524 -10.093 -5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.650 -9.859 -3.878 1.00 0.00 H new ATOM 432 N ASN A 105 -1.980 -10.154 -3.453 1.00 0.00 N ATOM 433 CA ASN A 105 -3.260 -10.779 -3.166 1.00 0.00 C ATOM 434 C ASN A 105 -4.296 -9.753 -2.747 1.00 0.00 C ATOM 435 O ASN A 105 -4.107 -9.019 -1.774 1.00 0.00 O ATOM 436 CB ASN A 105 -3.136 -11.900 -2.109 1.00 0.00 C ATOM 437 CG ASN A 105 -2.331 -11.513 -0.883 1.00 0.00 C ATOM 438 OD1 ASN A 105 -2.867 -10.998 0.100 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.043 -11.773 -0.928 1.00 0.00 N ATOM 0 H ASN A 105 -1.667 -9.490 -2.745 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.598 -11.242 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.136 -12.199 -1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.674 -12.772 -2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.449 -11.548 -0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.638 -12.200 -1.761 1.00 0.00 H new ATOM 446 N VAL A 106 -5.383 -9.684 -3.518 1.00 0.00 N ATOM 447 CA VAL A 106 -6.515 -8.784 -3.242 1.00 0.00 C ATOM 448 C VAL A 106 -7.129 -9.007 -1.850 1.00 0.00 C ATOM 449 O VAL A 106 -7.966 -8.221 -1.403 1.00 0.00 O ATOM 450 CB VAL A 106 -7.621 -8.904 -4.317 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.103 -8.440 -5.670 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.133 -10.334 -4.406 1.00 0.00 C ATOM 0 H VAL A 106 -5.508 -10.252 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.098 -7.777 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.451 -8.261 -4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.895 -8.532 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.788 -7.399 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.254 -9.057 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.910 -10.396 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.311 -10.999 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.545 -10.633 -3.442 1.00 0.00 H new ATOM 462 N HIS A 107 -6.723 -10.087 -1.176 1.00 0.00 N ATOM 463 CA HIS A 107 -7.182 -10.366 0.193 1.00 0.00 C ATOM 464 C HIS A 107 -6.582 -9.358 1.180 1.00 0.00 C ATOM 465 O HIS A 107 -6.861 -9.398 2.385 1.00 0.00 O ATOM 466 CB HIS A 107 -6.806 -11.782 0.621 1.00 0.00 C ATOM 467 CG HIS A 107 -7.546 -12.870 -0.092 1.00 0.00 C ATOM 468 ND1 HIS A 107 -7.162 -14.190 -0.046 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.661 -12.836 -0.861 1.00 0.00 C ATOM 470 CE1 HIS A 107 -8.002 -14.919 -0.751 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.920 -14.123 -1.255 1.00 0.00 N ATOM 0 H HIS A 107 -6.079 -10.783 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.268 -10.274 0.201 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.737 -11.923 0.461 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.984 -11.882 1.692 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.238 -11.959 -1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.947 -15.988 -0.891 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.699 -14.416 -1.844 1.00 0.00 H new ATOM 480 N LYS A 108 -5.770 -8.460 0.656 1.00 0.00 N ATOM 481 CA LYS A 108 -5.147 -7.411 1.430 1.00 0.00 C ATOM 482 C LYS A 108 -5.219 -6.124 0.643 1.00 0.00 C ATOM 483 O LYS A 108 -5.364 -6.151 -0.576 1.00 0.00 O ATOM 484 CB LYS A 108 -3.684 -7.729 1.752 1.00 0.00 C ATOM 485 CG LYS A 108 -3.483 -8.933 2.655 1.00 0.00 C ATOM 486 CD LYS A 108 -2.132 -8.873 3.341 1.00 0.00 C ATOM 487 CE LYS A 108 -0.980 -9.037 2.359 1.00 0.00 C ATOM 488 NZ LYS A 108 -0.836 -10.431 1.888 1.00 0.00 N ATOM 0 H LYS A 108 -5.523 -8.441 -0.333 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.680 -7.320 2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.149 -7.899 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.232 -6.857 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.275 -8.968 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.558 -9.849 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.032 -7.920 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.076 -9.655 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.140 -8.382 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.052 -8.719 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.038 -10.521 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.793 -11.071 2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.652 -10.683 1.294 1.00 0.00 H new ATOM 502 N TYR A 109 -5.128 -5.012 1.326 1.00 0.00 N ATOM 503 CA TYR A 109 -5.188 -3.728 0.663 1.00 0.00 C ATOM 504 C TYR A 109 -4.251 -2.732 1.324 1.00 0.00 C ATOM 505 O TYR A 109 -3.656 -3.024 2.356 1.00 0.00 O ATOM 506 CB TYR A 109 -6.621 -3.196 0.616 1.00 0.00 C ATOM 507 CG TYR A 109 -7.145 -2.622 1.911 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.550 -3.443 2.955 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.255 -1.253 2.073 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.048 -2.907 4.126 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.746 -0.710 3.234 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.143 -1.539 4.261 1.00 0.00 C ATOM 513 OH TYR A 109 -8.641 -0.995 5.424 1.00 0.00 O ATOM 0 H TYR A 109 -5.012 -4.966 2.338 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.856 -3.866 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.679 -2.425 -0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.281 -4.006 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.474 -4.515 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.949 -0.598 1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.361 -3.556 4.931 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.821 0.362 3.342 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.639 -0.017 5.355 1.00 0.00 H new ATOM 523 N ILE A 110 -4.116 -1.569 0.728 1.00 0.00 N ATOM 524 CA ILE A 110 -3.272 -0.530 1.276 1.00 0.00 C ATOM 525 C ILE A 110 -4.030 0.778 1.312 1.00 0.00 C ATOM 526 O ILE A 110 -4.821 1.070 0.416 1.00 0.00 O ATOM 527 CB ILE A 110 -1.971 -0.304 0.444 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.369 -1.618 -0.048 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.944 0.459 1.261 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.869 -2.039 -1.414 1.00 0.00 C ATOM 0 H ILE A 110 -4.583 -1.317 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.989 -0.858 2.276 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.248 0.284 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.284 -1.521 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.597 -2.404 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.043 0.608 0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.354 1.428 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.697 -0.110 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.399 -2.980 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.951 -2.169 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.617 -1.272 -2.146 1.00 0.00 H new ATOM 542 N ILE A 111 -3.808 1.555 2.349 1.00 0.00 N ATOM 543 CA ILE A 111 -4.390 2.869 2.434 1.00 0.00 C ATOM 544 C ILE A 111 -3.334 3.856 2.025 1.00 0.00 C ATOM 545 O ILE A 111 -2.301 3.978 2.696 1.00 0.00 O ATOM 546 CB ILE A 111 -4.897 3.241 3.859 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.942 2.245 4.368 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.479 4.650 3.859 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.358 0.980 4.949 1.00 0.00 C ATOM 0 H ILE A 111 -3.226 1.295 3.146 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.263 2.888 1.782 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.041 3.201 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.553 2.733 5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.607 1.981 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.830 4.899 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.710 5.361 3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.313 4.699 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.164 0.328 5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.771 0.467 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.716 1.230 5.794 1.00 0.00 H new ATOM 561 N CYS A 112 -3.557 4.538 0.936 1.00 0.00 N ATOM 562 CA CYS A 112 -2.588 5.479 0.455 1.00 0.00 C ATOM 563 C CYS A 112 -2.941 6.864 0.949 1.00 0.00 C ATOM 564 O CYS A 112 -4.033 7.367 0.687 1.00 0.00 O ATOM 565 CB CYS A 112 -2.543 5.447 -1.069 1.00 0.00 C ATOM 566 SG CYS A 112 -2.389 3.768 -1.768 1.00 0.00 S ATOM 0 H CYS A 112 -4.400 4.459 0.367 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.601 5.211 0.833 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.449 5.911 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.703 6.051 -1.411 1.00 0.00 H new ATOM 571 N SER A 113 -2.030 7.470 1.663 1.00 0.00 N ATOM 572 CA SER A 113 -2.242 8.787 2.208 1.00 0.00 C ATOM 573 C SER A 113 -1.102 9.697 1.794 1.00 0.00 C ATOM 574 O SER A 113 0.048 9.276 1.753 1.00 0.00 O ATOM 575 CB SER A 113 -2.344 8.700 3.731 1.00 0.00 C ATOM 576 OG SER A 113 -3.315 7.729 4.114 1.00 0.00 O ATOM 0 H SER A 113 -1.120 7.066 1.884 1.00 0.00 H new ATOM 0 HA SER A 113 -3.173 9.202 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.373 8.437 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.615 9.674 4.139 1.00 0.00 H new ATOM 0 HG SER A 113 -3.366 7.685 5.092 1.00 0.00 H new ATOM 582 N LYS A 114 -1.412 10.927 1.476 1.00 0.00 N ATOM 583 CA LYS A 114 -0.397 11.850 1.039 1.00 0.00 C ATOM 584 C LYS A 114 -0.298 13.022 1.992 1.00 0.00 C ATOM 585 O LYS A 114 -1.153 13.908 2.001 1.00 0.00 O ATOM 586 CB LYS A 114 -0.693 12.330 -0.378 1.00 0.00 C ATOM 587 CG LYS A 114 0.389 13.201 -0.986 1.00 0.00 C ATOM 588 CD LYS A 114 0.001 13.638 -2.385 1.00 0.00 C ATOM 589 CE LYS A 114 1.072 14.502 -3.020 1.00 0.00 C ATOM 590 NZ LYS A 114 0.679 14.956 -4.378 1.00 0.00 N ATOM 0 H LYS A 114 -2.356 11.312 1.511 1.00 0.00 H new ATOM 0 HA LYS A 114 0.563 11.334 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.845 11.461 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.629 12.888 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.553 14.077 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.330 12.651 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.173 12.759 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.937 14.191 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.262 15.369 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.004 13.940 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.436 15.544 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.522 14.129 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.197 15.513 -4.318 1.00 0.00 H new ATOM 604 N SER A 115 0.737 13.017 2.794 1.00 0.00 N ATOM 605 CA SER A 115 0.986 14.072 3.736 1.00 0.00 C ATOM 606 C SER A 115 1.687 15.218 3.036 1.00 0.00 C ATOM 607 O SER A 115 2.917 15.257 2.955 1.00 0.00 O ATOM 608 CB SER A 115 1.840 13.542 4.882 1.00 0.00 C ATOM 609 OG SER A 115 1.120 12.596 5.652 1.00 0.00 O ATOM 0 H SER A 115 1.435 12.273 2.809 1.00 0.00 H new ATOM 0 HA SER A 115 0.042 14.434 4.143 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.744 13.081 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.157 14.369 5.518 1.00 0.00 H new ATOM 0 HG SER A 115 1.664 11.789 5.771 1.00 0.00 H new ATOM 615 N GLY A 116 0.902 16.124 2.492 1.00 0.00 N ATOM 616 CA GLY A 116 1.459 17.224 1.763 1.00 0.00 C ATOM 617 C GLY A 116 2.091 16.756 0.470 1.00 0.00 C ATOM 618 O GLY A 116 1.392 16.500 -0.513 1.00 0.00 O ATOM 0 H GLY A 116 -0.117 16.114 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.679 17.954 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.206 17.729 2.375 1.00 0.00 H new ATOM 622 N SER A 117 3.408 16.624 0.475 1.00 0.00 N ATOM 623 CA SER A 117 4.137 16.186 -0.695 1.00 0.00 C ATOM 624 C SER A 117 4.795 14.817 -0.436 1.00 0.00 C ATOM 625 O SER A 117 5.565 14.320 -1.258 1.00 0.00 O ATOM 626 CB SER A 117 5.193 17.235 -1.077 1.00 0.00 C ATOM 627 OG SER A 117 5.769 16.959 -2.344 1.00 0.00 O ATOM 0 H SER A 117 3.995 16.817 1.287 1.00 0.00 H new ATOM 0 HA SER A 117 3.441 16.075 -1.526 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.735 18.224 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.975 17.258 -0.318 1.00 0.00 H new ATOM 0 HG SER A 117 5.893 15.992 -2.443 1.00 0.00 H new ATOM 633 N LEU A 118 4.476 14.210 0.701 1.00 0.00 N ATOM 634 CA LEU A 118 5.077 12.932 1.074 1.00 0.00 C ATOM 635 C LEU A 118 4.010 11.850 1.168 1.00 0.00 C ATOM 636 O LEU A 118 2.979 12.046 1.796 1.00 0.00 O ATOM 637 CB LEU A 118 5.801 13.065 2.418 1.00 0.00 C ATOM 638 CG LEU A 118 6.730 11.906 2.796 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.818 11.728 1.750 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.346 12.146 4.160 1.00 0.00 C ATOM 0 H LEU A 118 3.808 14.578 1.378 1.00 0.00 H new ATOM 0 HA LEU A 118 5.796 12.650 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.386 13.984 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.052 13.176 3.203 1.00 0.00 H new ATOM 0 HG LEU A 118 6.138 10.992 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.467 10.900 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.362 11.513 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.407 12.642 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.003 11.314 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.922 13.071 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.556 12.226 4.907 1.00 0.00 H new ATOM 652 N TRP A 119 4.254 10.717 0.542 1.00 0.00 N ATOM 653 CA TRP A 119 3.288 9.633 0.567 1.00 0.00 C ATOM 654 C TRP A 119 3.551 8.665 1.716 1.00 0.00 C ATOM 655 O TRP A 119 4.680 8.228 1.931 1.00 0.00 O ATOM 656 CB TRP A 119 3.306 8.865 -0.757 1.00 0.00 C ATOM 657 CG TRP A 119 2.686 9.603 -1.906 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.283 10.533 -2.710 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.344 9.460 -2.384 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.391 10.978 -3.655 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.195 10.333 -3.478 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.255 8.676 -1.994 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.001 10.444 -4.184 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.928 8.789 -2.695 1.00 0.00 C ATOM 665 CH2 TRP A 119 -1.045 9.666 -3.779 1.00 0.00 C ATOM 0 H TRP A 119 5.104 10.522 0.014 1.00 0.00 H new ATOM 0 HA TRP A 119 2.307 10.083 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.338 8.624 -1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.781 7.919 -0.622 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.305 10.869 -2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.587 11.676 -4.373 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.338 7.995 -1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.095 11.120 -5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.778 8.191 -2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.985 9.729 -4.308 1.00 0.00 H new ATOM 676 N TYR A 120 2.497 8.350 2.448 1.00 0.00 N ATOM 677 CA TYR A 120 2.531 7.349 3.504 1.00 0.00 C ATOM 678 C TYR A 120 1.527 6.255 3.196 1.00 0.00 C ATOM 679 O TYR A 120 0.364 6.535 2.896 1.00 0.00 O ATOM 680 CB TYR A 120 2.194 7.965 4.858 1.00 0.00 C ATOM 681 CG TYR A 120 3.302 8.780 5.470 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.243 8.182 6.294 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.400 10.143 5.242 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.253 8.917 6.870 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.407 10.889 5.817 1.00 0.00 C ATOM 686 CZ TYR A 120 5.333 10.269 6.632 1.00 0.00 C ATOM 687 OH TYR A 120 6.337 11.006 7.217 1.00 0.00 O ATOM 0 H TYR A 120 1.583 8.786 2.326 1.00 0.00 H new ATOM 0 HA TYR A 120 3.539 6.937 3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.315 8.599 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.924 7.166 5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.182 7.121 6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.676 10.629 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.980 8.434 7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.471 11.951 5.631 1.00 0.00 H new ATOM 0 HH TYR A 120 7.126 10.440 7.346 1.00 0.00 H new ATOM 697 N ILE A 121 1.963 5.019 3.256 1.00 0.00 N ATOM 698 CA ILE A 121 1.081 3.905 2.968 1.00 0.00 C ATOM 699 C ILE A 121 0.967 2.953 4.155 1.00 0.00 C ATOM 700 O ILE A 121 1.882 2.849 4.982 1.00 0.00 O ATOM 701 CB ILE A 121 1.521 3.136 1.681 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.900 2.480 1.844 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.529 4.072 0.485 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.850 1.068 2.392 1.00 0.00 C ATOM 0 H ILE A 121 2.918 4.757 3.500 1.00 0.00 H new ATOM 0 HA ILE A 121 0.093 4.326 2.783 1.00 0.00 H new ATOM 0 HB ILE A 121 0.795 2.340 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.401 2.466 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.507 3.095 2.508 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.837 3.523 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.528 4.477 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.227 4.889 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.863 0.675 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.380 1.076 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.271 0.436 1.718 1.00 0.00 H new ATOM 716 N THR A 122 -0.166 2.290 4.251 1.00 0.00 N ATOM 717 CA THR A 122 -0.415 1.324 5.305 1.00 0.00 C ATOM 718 C THR A 122 -1.151 0.114 4.737 1.00 0.00 C ATOM 719 O THR A 122 -2.252 0.249 4.215 1.00 0.00 O ATOM 720 CB THR A 122 -1.260 1.955 6.432 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.649 3.181 6.864 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.386 1.005 7.615 1.00 0.00 C ATOM 0 H THR A 122 -0.943 2.404 3.600 1.00 0.00 H new ATOM 0 HA THR A 122 0.544 1.009 5.717 1.00 0.00 H new ATOM 0 HB THR A 122 -2.258 2.156 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.188 3.581 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.986 1.473 8.395 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.868 0.083 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.394 0.778 8.007 1.00 0.00 H new ATOM 730 N VAL A 123 -0.541 -1.057 4.825 1.00 0.00 N ATOM 731 CA VAL A 123 -1.147 -2.267 4.286 1.00 0.00 C ATOM 732 C VAL A 123 -1.973 -2.990 5.351 1.00 0.00 C ATOM 733 O VAL A 123 -1.477 -3.305 6.428 1.00 0.00 O ATOM 734 CB VAL A 123 -0.082 -3.227 3.666 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.016 -3.567 4.667 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.739 -4.498 3.132 1.00 0.00 C ATOM 0 H VAL A 123 0.370 -1.197 5.262 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.816 -1.959 3.483 1.00 0.00 H new ATOM 0 HB VAL A 123 0.383 -2.704 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.739 -4.237 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.519 -2.652 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.577 -4.056 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.023 -5.150 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.245 -5.016 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.465 -4.236 2.362 1.00 0.00 H new ATOM 746 N MET A 124 -3.232 -3.226 5.039 1.00 0.00 N ATOM 747 CA MET A 124 -4.150 -3.894 5.948 1.00 0.00 C ATOM 748 C MET A 124 -4.783 -5.091 5.255 1.00 0.00 C ATOM 749 O MET A 124 -5.118 -5.023 4.076 1.00 0.00 O ATOM 750 CB MET A 124 -5.256 -2.931 6.401 1.00 0.00 C ATOM 751 CG MET A 124 -4.769 -1.654 7.078 1.00 0.00 C ATOM 752 SD MET A 124 -4.551 -1.805 8.872 1.00 0.00 S ATOM 753 CE MET A 124 -3.062 -2.791 8.983 1.00 0.00 C ATOM 0 H MET A 124 -3.650 -2.961 4.147 1.00 0.00 H new ATOM 0 HA MET A 124 -3.588 -4.227 6.821 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.855 -2.657 5.533 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.916 -3.459 7.089 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.820 -1.358 6.631 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.481 -0.854 6.875 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.695 -2.782 10.009 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.282 -3.816 8.686 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.301 -2.377 8.322 1.00 0.00 H new ATOM 763 N PRO A 125 -4.933 -6.209 5.959 1.00 0.00 N ATOM 764 CA PRO A 125 -5.568 -7.393 5.407 1.00 0.00 C ATOM 765 C PRO A 125 -7.090 -7.360 5.584 1.00 0.00 C ATOM 766 O PRO A 125 -7.596 -6.868 6.598 1.00 0.00 O ATOM 767 CB PRO A 125 -4.966 -8.513 6.247 1.00 0.00 C ATOM 768 CG PRO A 125 -4.744 -7.893 7.588 1.00 0.00 C ATOM 769 CD PRO A 125 -4.469 -6.426 7.345 1.00 0.00 C ATOM 0 HA PRO A 125 -5.403 -7.497 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.639 -9.368 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.032 -8.874 5.817 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.619 -8.023 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.905 -8.365 8.099 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.008 -5.795 8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.410 -6.193 7.454 1.00 0.00 H new ATOM 777 N CYS A 126 -7.812 -7.858 4.598 1.00 0.00 N ATOM 778 CA CYS A 126 -9.257 -7.942 4.700 1.00 0.00 C ATOM 779 C CYS A 126 -9.649 -9.169 5.483 1.00 0.00 C ATOM 780 O CYS A 126 -8.806 -10.032 5.771 1.00 0.00 O ATOM 781 CB CYS A 126 -9.922 -8.004 3.321 1.00 0.00 C ATOM 782 SG CYS A 126 -9.983 -6.421 2.416 1.00 0.00 S ATOM 0 H CYS A 126 -7.425 -8.209 3.722 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.598 -7.041 5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.389 -8.733 2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -10.940 -8.374 3.443 1.00 0.00 H new ATOM 787 N SER A 127 -10.915 -9.246 5.832 1.00 0.00 N ATOM 788 CA SER A 127 -11.445 -10.386 6.524 1.00 0.00 C ATOM 789 C SER A 127 -11.227 -11.661 5.707 1.00 0.00 C ATOM 790 O SER A 127 -11.193 -11.623 4.467 1.00 0.00 O ATOM 791 CB SER A 127 -12.927 -10.157 6.810 1.00 0.00 C ATOM 792 OG SER A 127 -13.534 -9.407 5.762 1.00 0.00 O ATOM 0 H SER A 127 -11.601 -8.516 5.641 1.00 0.00 H new ATOM 0 HA SER A 127 -10.921 -10.513 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.434 -11.116 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.042 -9.628 7.756 1.00 0.00 H new ATOM 0 HG SER A 127 -13.398 -9.868 4.908 1.00 0.00 H new ATOM 798 N ILE A 128 -11.052 -12.764 6.384 1.00 0.00 N ATOM 799 CA ILE A 128 -10.824 -14.023 5.723 1.00 0.00 C ATOM 800 C ILE A 128 -12.033 -14.405 4.871 1.00 0.00 C ATOM 801 O ILE A 128 -13.178 -14.383 5.339 1.00 0.00 O ATOM 802 CB ILE A 128 -10.472 -15.159 6.739 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.044 -14.968 7.301 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.595 -16.532 6.092 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.842 -13.713 8.132 1.00 0.00 C ATOM 0 H ILE A 128 -11.063 -12.817 7.403 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.962 -13.901 5.068 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.186 -15.099 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.792 -15.834 7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.342 -14.950 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.344 -17.302 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.618 -16.680 5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.911 -16.598 5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.810 -13.669 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.057 -12.835 7.523 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.514 -13.733 8.990 1.00 0.00 H new ATOM 817 N GLY A 129 -11.771 -14.731 3.620 1.00 0.00 N ATOM 818 CA GLY A 129 -12.830 -15.073 2.706 1.00 0.00 C ATOM 819 C GLY A 129 -13.342 -13.878 1.922 1.00 0.00 C ATOM 820 O GLY A 129 -14.319 -13.995 1.180 1.00 0.00 O ATOM 0 H GLY A 129 -10.834 -14.765 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.472 -15.831 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.655 -15.516 3.263 1.00 0.00 H new ATOM 824 N THR A 130 -12.699 -12.719 2.084 1.00 0.00 N ATOM 825 CA THR A 130 -13.112 -11.527 1.357 1.00 0.00 C ATOM 826 C THR A 130 -11.936 -10.910 0.595 1.00 0.00 C ATOM 827 O THR A 130 -10.771 -11.208 0.879 1.00 0.00 O ATOM 828 CB THR A 130 -13.725 -10.455 2.299 1.00 0.00 C ATOM 829 OG1 THR A 130 -12.751 -10.014 3.252 1.00 0.00 O ATOM 830 CG2 THR A 130 -14.934 -11.005 3.038 1.00 0.00 C ATOM 0 H THR A 130 -11.901 -12.586 2.705 1.00 0.00 H new ATOM 0 HA THR A 130 -13.877 -11.847 0.649 1.00 0.00 H new ATOM 0 HB THR A 130 -14.041 -9.613 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.039 -10.683 3.325 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.343 -10.234 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.693 -11.311 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 130 -14.634 -11.865 3.637 1.00 0.00 H new ATOM 838 N LYS A 131 -12.251 -10.059 -0.364 1.00 0.00 N ATOM 839 CA LYS A 131 -11.259 -9.376 -1.173 1.00 0.00 C ATOM 840 C LYS A 131 -11.591 -7.889 -1.233 1.00 0.00 C ATOM 841 O LYS A 131 -12.763 -7.515 -1.255 1.00 0.00 O ATOM 842 CB LYS A 131 -11.237 -9.972 -2.583 1.00 0.00 C ATOM 843 CG LYS A 131 -12.589 -9.937 -3.284 1.00 0.00 C ATOM 844 CD LYS A 131 -12.524 -10.585 -4.651 1.00 0.00 C ATOM 845 CE LYS A 131 -13.871 -10.537 -5.350 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.790 -11.033 -6.745 1.00 0.00 N ATOM 0 H LYS A 131 -13.213 -9.820 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.273 -9.504 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.511 -9.428 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.894 -11.005 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.330 -10.451 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.920 -8.904 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.777 -10.077 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.202 -11.621 -4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.590 -11.137 -4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -14.243 -9.512 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.730 -10.983 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.123 -10.445 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.460 -12.019 -6.744 1.00 0.00 H new ATOM 860 N PHE A 132 -10.578 -7.049 -1.242 1.00 0.00 N ATOM 861 CA PHE A 132 -10.793 -5.610 -1.265 1.00 0.00 C ATOM 862 C PHE A 132 -11.048 -5.100 -2.680 1.00 0.00 C ATOM 863 O PHE A 132 -10.337 -5.460 -3.621 1.00 0.00 O ATOM 864 CB PHE A 132 -9.595 -4.887 -0.656 1.00 0.00 C ATOM 865 CG PHE A 132 -9.838 -3.427 -0.389 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.423 -3.018 0.797 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.473 -2.467 -1.316 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.643 -1.681 1.050 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.692 -1.127 -1.069 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.277 -0.735 0.117 1.00 0.00 C ATOM 0 H PHE A 132 -9.598 -7.332 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.682 -5.400 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.323 -5.377 0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.742 -4.987 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.710 -3.755 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.011 -2.770 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.102 -1.375 1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.406 -0.387 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.448 0.313 0.314 1.00 0.00 H new ATOM 880 N ASP A 133 -12.068 -4.266 -2.819 1.00 0.00 N ATOM 881 CA ASP A 133 -12.398 -3.655 -4.101 1.00 0.00 C ATOM 882 C ASP A 133 -11.871 -2.229 -4.146 1.00 0.00 C ATOM 883 O ASP A 133 -12.132 -1.435 -3.238 1.00 0.00 O ATOM 884 CB ASP A 133 -13.912 -3.668 -4.342 1.00 0.00 C ATOM 885 CG ASP A 133 -14.297 -3.030 -5.666 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.165 -3.693 -6.714 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.740 -1.865 -5.665 1.00 0.00 O ATOM 0 H ASP A 133 -12.686 -3.995 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.925 -4.237 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.271 -4.697 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.410 -3.139 -3.529 1.00 0.00 H new ATOM 892 N PRO A 134 -11.125 -1.884 -5.207 1.00 0.00 N ATOM 893 CA PRO A 134 -10.495 -0.565 -5.346 1.00 0.00 C ATOM 894 C PRO A 134 -11.498 0.580 -5.460 1.00 0.00 C ATOM 895 O PRO A 134 -11.306 1.642 -4.872 1.00 0.00 O ATOM 896 CB PRO A 134 -9.691 -0.683 -6.650 1.00 0.00 C ATOM 897 CG PRO A 134 -10.322 -1.808 -7.397 1.00 0.00 C ATOM 898 CD PRO A 134 -10.838 -2.760 -6.358 1.00 0.00 C ATOM 0 HA PRO A 134 -9.897 -0.326 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.733 0.243 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.639 -0.886 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.131 -1.448 -8.032 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.598 -2.297 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.732 -3.282 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.100 -3.522 -6.109 1.00 0.00 H new ATOM 906 N ILE A 135 -12.556 0.359 -6.215 1.00 0.00 N ATOM 907 CA ILE A 135 -13.537 1.398 -6.478 1.00 0.00 C ATOM 908 C ILE A 135 -14.450 1.639 -5.284 1.00 0.00 C ATOM 909 O ILE A 135 -14.593 2.776 -4.821 1.00 0.00 O ATOM 910 CB ILE A 135 -14.388 1.061 -7.721 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.479 0.689 -8.902 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.297 2.230 -8.088 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.405 1.715 -9.208 1.00 0.00 C ATOM 0 H ILE A 135 -12.761 -0.536 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.975 2.313 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 135 -15.019 0.204 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -13.002 -0.268 -8.691 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -14.095 0.549 -9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.887 1.970 -8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.964 2.448 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.690 3.109 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.808 1.375 -10.054 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.872 2.669 -9.453 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.762 1.839 -8.337 1.00 0.00 H new ATOM 925 N SER A 136 -15.058 0.578 -4.786 1.00 0.00 N ATOM 926 CA SER A 136 -15.973 0.674 -3.663 1.00 0.00 C ATOM 927 C SER A 136 -15.223 1.034 -2.385 1.00 0.00 C ATOM 928 O SER A 136 -15.770 1.693 -1.503 1.00 0.00 O ATOM 929 CB SER A 136 -16.712 -0.648 -3.483 1.00 0.00 C ATOM 930 OG SER A 136 -17.171 -1.147 -4.733 1.00 0.00 O ATOM 0 H SER A 136 -14.933 -0.368 -5.145 1.00 0.00 H new ATOM 0 HA SER A 136 -16.695 1.464 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 136 -16.051 -1.378 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.558 -0.508 -2.810 1.00 0.00 H new ATOM 0 HG SER A 136 -16.424 -1.559 -5.215 1.00 0.00 H new ATOM 936 N ARG A 137 -13.970 0.571 -2.294 1.00 0.00 N ATOM 937 CA ARG A 137 -13.099 0.855 -1.150 1.00 0.00 C ATOM 938 C ARG A 137 -13.573 0.110 0.085 1.00 0.00 C ATOM 939 O ARG A 137 -13.742 0.690 1.161 1.00 0.00 O ATOM 940 CB ARG A 137 -13.003 2.362 -0.866 1.00 0.00 C ATOM 941 CG ARG A 137 -12.461 3.174 -2.027 1.00 0.00 C ATOM 942 CD ARG A 137 -12.384 4.650 -1.684 1.00 0.00 C ATOM 943 NE ARG A 137 -13.686 5.203 -1.308 1.00 0.00 N ATOM 944 CZ ARG A 137 -13.989 6.503 -1.338 1.00 0.00 C ATOM 945 NH1 ARG A 137 -13.092 7.390 -1.773 1.00 0.00 N ATOM 946 NH2 ARG A 137 -15.190 6.913 -0.945 1.00 0.00 N ATOM 0 H ARG A 137 -13.534 -0.010 -3.010 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.100 0.504 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.993 2.736 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.364 2.518 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.470 2.810 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.099 3.035 -2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.681 4.794 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.992 5.199 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.410 4.552 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.173 7.075 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.326 8.383 -1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.880 6.235 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.423 7.906 -0.967 1.00 0.00 H new ATOM 960 N ASN A 138 -13.779 -1.179 -0.076 1.00 0.00 N ATOM 961 CA ASN A 138 -14.214 -2.041 1.007 1.00 0.00 C ATOM 962 C ASN A 138 -13.869 -3.480 0.663 1.00 0.00 C ATOM 963 O ASN A 138 -13.413 -3.759 -0.446 1.00 0.00 O ATOM 964 CB ASN A 138 -15.731 -1.912 1.243 1.00 0.00 C ATOM 965 CG ASN A 138 -16.566 -2.459 0.092 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.169 -2.408 -1.069 1.00 0.00 O ATOM 967 ND2 ASN A 138 -17.723 -2.993 0.414 1.00 0.00 N ATOM 0 H ASN A 138 -13.650 -1.663 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.703 -1.740 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.996 -2.440 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.980 -0.862 1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.324 -3.383 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -18.020 -3.017 1.390 1.00 0.00 H new ATOM 974 N CYS A 139 -14.073 -4.383 1.595 1.00 0.00 N ATOM 975 CA CYS A 139 -13.801 -5.782 1.338 1.00 0.00 C ATOM 976 C CYS A 139 -15.112 -6.507 1.067 1.00 0.00 C ATOM 977 O CYS A 139 -16.047 -6.440 1.869 1.00 0.00 O ATOM 978 CB CYS A 139 -13.068 -6.427 2.530 1.00 0.00 C ATOM 979 SG CYS A 139 -11.630 -5.469 3.159 1.00 0.00 S ATOM 0 H CYS A 139 -14.423 -4.178 2.531 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.154 -5.862 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.779 -6.565 3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.725 -7.419 2.235 1.00 0.00 H new ATOM 984 N VAL A 140 -15.183 -7.179 -0.065 1.00 0.00 N ATOM 985 CA VAL A 140 -16.373 -7.914 -0.452 1.00 0.00 C ATOM 986 C VAL A 140 -16.090 -9.403 -0.453 1.00 0.00 C ATOM 987 O VAL A 140 -14.937 -9.815 -0.450 1.00 0.00 O ATOM 988 CB VAL A 140 -16.888 -7.484 -1.852 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.328 -6.028 -1.839 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.822 -7.712 -2.920 1.00 0.00 C ATOM 0 H VAL A 140 -14.421 -7.232 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.149 -7.685 0.279 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.751 -8.103 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.685 -5.747 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.131 -5.897 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.484 -5.395 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.208 -7.403 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.935 -7.127 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.561 -8.770 -2.953 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.138 -10.199 -0.447 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.009 -11.651 -0.419 1.00 0.00 C ATOM 1002 C LEU A 141 -16.185 -12.159 -1.611 1.00 0.00 C ATOM 1003 O LEU A 141 -16.510 -11.891 -2.770 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.408 -12.296 -0.396 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.475 -13.785 -0.026 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -19.879 -14.146 0.416 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.066 -14.660 -1.200 1.00 0.00 C ATOM 0 H LEU A 141 -18.102 -9.866 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.475 -11.937 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.027 -11.742 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.857 -12.170 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 141 -17.778 -13.962 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -19.918 -15.204 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -20.152 -13.548 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -20.579 -13.946 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.123 -15.709 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -18.737 -14.479 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -17.044 -14.420 -1.494 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.121 -12.885 -1.312 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.265 -13.451 -2.336 1.00 0.00 C ATOM 1021 C ASP A 142 -14.733 -14.847 -2.697 1.00 0.00 C ATOM 1022 O ASP A 142 -14.462 -15.808 -1.981 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.808 -13.490 -1.870 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.899 -14.185 -2.862 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.966 -13.866 -4.059 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.094 -15.044 -2.439 1.00 0.00 O ATOM 0 H ASP A 142 -14.829 -13.097 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.326 -12.815 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.454 -12.472 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.751 -14.002 -0.909 1.00 0.00 H new