USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 451 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 98 SER OG : rot 92:sc= 1.24 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 120 MET CE :methyl 153:sc= -3.59! (180deg=-6.2!) USER MOD Set 2.2: A 157 MET CE :methyl 174:sc= -1.4 (180deg=-1.34) USER MOD Single : A 103 MET CE :methyl 180:sc= -0.0105 (180deg=-0.0105) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.34! C(o=-4.3!,f=-6.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 THR OG1 : rot 40:sc= 0.823 USER MOD Single : A 137 MET CE :methyl -176:sc= -4.49! (180deg=-4.69!) USER MOD Single : A 138 LYS NZ :NH3+ -155:sc=-0.00311 (180deg=-0.311) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.84 K(o=-2.8,f=-9.9!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 158 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.00957) USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 96 65.121 -10.982 -3.187 1.00 1.38 N ATOM 156 CA GLU A 96 63.709 -10.500 -3.231 1.00 1.34 C ATOM 157 C GLU A 96 63.634 -9.033 -2.800 1.00 1.16 C ATOM 158 O GLU A 96 63.069 -8.202 -3.484 1.00 1.07 O ATOM 159 CB GLU A 96 62.958 -11.390 -2.240 1.00 1.51 C ATOM 160 CG GLU A 96 62.086 -12.388 -3.006 1.00 2.07 C ATOM 161 CD GLU A 96 62.960 -13.193 -3.970 1.00 2.19 C ATOM 162 OE1 GLU A 96 64.116 -13.412 -3.650 1.00 2.61 O ATOM 163 OE2 GLU A 96 62.456 -13.576 -5.014 1.00 2.60 O ATOM 0 HA GLU A 96 63.285 -10.556 -4.234 1.00 1.34 H new ATOM 0 HB2 GLU A 96 63.666 -11.923 -1.605 1.00 1.51 H new ATOM 0 HB3 GLU A 96 62.338 -10.779 -1.584 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.583 -13.058 -2.309 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.309 -11.860 -3.558 1.00 2.07 H new ATOM 170 N LEU A 97 64.194 -8.708 -1.667 1.00 1.14 N ATOM 171 CA LEU A 97 64.152 -7.296 -1.187 1.00 0.99 C ATOM 172 C LEU A 97 64.628 -6.344 -2.289 1.00 0.82 C ATOM 173 O LEU A 97 64.317 -5.169 -2.282 1.00 0.70 O ATOM 174 CB LEU A 97 65.110 -7.256 0.004 1.00 1.03 C ATOM 175 CG LEU A 97 64.376 -7.719 1.264 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.997 -9.023 1.767 1.00 1.57 C ATOM 177 CD2 LEU A 97 64.502 -6.644 2.347 1.00 1.71 C ATOM 0 H LEU A 97 64.680 -9.360 -1.051 1.00 1.14 H new ATOM 0 HA LEU A 97 63.144 -6.984 -0.913 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.970 -7.898 -0.186 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.492 -6.245 0.143 1.00 1.03 H new ATOM 0 HG LEU A 97 63.324 -7.884 1.033 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.474 -9.353 2.665 1.00 1.57 H new ATOM 0 HD12 LEU A 97 64.911 -9.788 0.995 1.00 1.57 H new ATOM 0 HD13 LEU A 97 66.049 -8.859 2.000 1.00 1.57 H new ATOM 0 HD21 LEU A 97 63.980 -6.971 3.246 1.00 1.71 H new ATOM 0 HD22 LEU A 97 65.555 -6.481 2.577 1.00 1.71 H new ATOM 0 HD23 LEU A 97 64.061 -5.714 1.989 1.00 1.71 H new ATOM 189 N SER A 98 65.381 -6.839 -3.232 1.00 0.87 N ATOM 190 CA SER A 98 65.877 -5.960 -4.329 1.00 0.78 C ATOM 191 C SER A 98 64.767 -5.718 -5.356 1.00 0.75 C ATOM 192 O SER A 98 64.569 -4.613 -5.822 1.00 0.74 O ATOM 193 CB SER A 98 67.034 -6.730 -4.960 1.00 0.93 C ATOM 194 OG SER A 98 68.022 -5.810 -5.407 1.00 1.41 O ATOM 0 H SER A 98 65.675 -7.814 -3.291 1.00 0.87 H new ATOM 0 HA SER A 98 66.190 -4.981 -3.965 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.465 -7.420 -4.235 1.00 0.93 H new ATOM 0 HB3 SER A 98 66.674 -7.330 -5.796 1.00 0.93 H new ATOM 0 HG SER A 98 68.686 -5.674 -4.699 1.00 1.41 H new ATOM 200 N ASP A 99 64.042 -6.742 -5.713 1.00 0.80 N ATOM 201 CA ASP A 99 62.947 -6.568 -6.711 1.00 0.82 C ATOM 202 C ASP A 99 61.971 -5.488 -6.240 1.00 0.77 C ATOM 203 O ASP A 99 61.510 -4.676 -7.017 1.00 0.77 O ATOM 204 CB ASP A 99 62.252 -7.928 -6.778 1.00 0.93 C ATOM 205 CG ASP A 99 62.925 -8.793 -7.844 1.00 1.45 C ATOM 206 OD1 ASP A 99 63.913 -8.348 -8.405 1.00 2.18 O ATOM 207 OD2 ASP A 99 62.442 -9.888 -8.083 1.00 1.92 O ATOM 0 H ASP A 99 64.159 -7.691 -5.358 1.00 0.80 H new ATOM 0 HA ASP A 99 63.321 -6.254 -7.685 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.303 -8.422 -5.808 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.196 -7.797 -7.014 1.00 0.93 H new ATOM 212 N LEU A 100 61.651 -5.472 -4.976 1.00 0.77 N ATOM 213 CA LEU A 100 60.703 -4.443 -4.460 1.00 0.77 C ATOM 214 C LEU A 100 61.262 -3.039 -4.707 1.00 0.64 C ATOM 215 O LEU A 100 60.525 -2.093 -4.899 1.00 0.64 O ATOM 216 CB LEU A 100 60.600 -4.722 -2.962 1.00 0.85 C ATOM 217 CG LEU A 100 59.272 -4.183 -2.433 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.682 -5.177 -1.432 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.509 -2.839 -1.739 1.00 1.57 C ATOM 0 H LEU A 100 62.004 -6.126 -4.278 1.00 0.77 H new ATOM 0 HA LEU A 100 59.732 -4.489 -4.953 1.00 0.77 H new ATOM 0 HB2 LEU A 100 60.670 -5.794 -2.775 1.00 0.85 H new ATOM 0 HB3 LEU A 100 61.431 -4.252 -2.436 1.00 0.85 H new ATOM 0 HG LEU A 100 58.577 -4.047 -3.262 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.734 -4.793 -1.054 1.00 1.54 H new ATOM 0 HD12 LEU A 100 58.515 -6.134 -1.925 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.376 -5.313 -0.602 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.562 -2.453 -1.361 1.00 1.57 H new ATOM 0 HD22 LEU A 100 60.203 -2.975 -0.909 1.00 1.57 H new ATOM 0 HD23 LEU A 100 59.931 -2.131 -2.452 1.00 1.57 H new ATOM 231 N PHE A 101 62.559 -2.899 -4.702 1.00 0.60 N ATOM 232 CA PHE A 101 63.165 -1.556 -4.936 1.00 0.53 C ATOM 233 C PHE A 101 62.980 -1.140 -6.399 1.00 0.49 C ATOM 234 O PHE A 101 62.531 -0.050 -6.692 1.00 0.61 O ATOM 235 CB PHE A 101 64.649 -1.734 -4.612 1.00 0.57 C ATOM 236 CG PHE A 101 65.342 -0.393 -4.660 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.723 0.154 -5.892 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.604 0.304 -3.475 1.00 1.31 C ATOM 239 CE1 PHE A 101 66.366 1.396 -5.937 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.248 1.547 -3.520 1.00 1.30 C ATOM 241 CZ PHE A 101 66.629 2.092 -4.752 1.00 0.40 C ATOM 0 H PHE A 101 63.226 -3.655 -4.546 1.00 0.60 H new ATOM 0 HA PHE A 101 62.703 -0.780 -4.326 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.765 -2.180 -3.624 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.108 -2.418 -5.326 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.520 -0.383 -6.807 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.309 -0.117 -2.525 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.659 1.818 -6.887 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.450 2.084 -2.605 1.00 1.30 H new ATOM 0 HZ PHE A 101 67.126 3.050 -4.788 1.00 0.40 H new ATOM 251 N ARG A 102 63.326 -2.001 -7.318 1.00 0.53 N ATOM 252 CA ARG A 102 63.173 -1.654 -8.761 1.00 0.70 C ATOM 253 C ARG A 102 61.735 -1.908 -9.223 1.00 0.80 C ATOM 254 O ARG A 102 61.381 -1.636 -10.353 1.00 1.09 O ATOM 255 CB ARG A 102 64.141 -2.582 -9.495 1.00 0.87 C ATOM 256 CG ARG A 102 65.506 -1.902 -9.620 1.00 1.28 C ATOM 257 CD ARG A 102 66.316 -2.580 -10.728 1.00 1.83 C ATOM 258 NE ARG A 102 66.903 -1.460 -11.514 1.00 2.26 N ATOM 259 CZ ARG A 102 66.580 -1.304 -12.769 1.00 2.89 C ATOM 260 NH1 ARG A 102 65.356 -0.993 -13.097 1.00 3.68 N ATOM 261 NH2 ARG A 102 67.484 -1.458 -13.698 1.00 3.22 N ATOM 0 H ARG A 102 63.708 -2.929 -7.133 1.00 0.53 H new ATOM 0 HA ARG A 102 63.385 -0.603 -8.955 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.240 -3.523 -8.954 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.751 -2.823 -10.484 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.377 -0.843 -9.845 1.00 1.28 H new ATOM 0 HG3 ARG A 102 66.043 -1.964 -8.673 1.00 1.28 H new ATOM 0 HD2 ARG A 102 67.094 -3.221 -10.313 1.00 1.83 H new ATOM 0 HD3 ARG A 102 65.682 -3.210 -11.351 1.00 1.83 H new ATOM 0 HE ARG A 102 67.558 -0.815 -11.072 1.00 2.26 H new ATOM 0 HH11 ARG A 102 64.649 -0.871 -12.372 1.00 3.68 H new ATOM 0 HH12 ARG A 102 65.106 -0.872 -14.078 1.00 3.68 H new ATOM 0 HH21 ARG A 102 68.441 -1.700 -13.443 1.00 3.22 H new ATOM 0 HH22 ARG A 102 67.233 -1.336 -14.679 1.00 3.22 H new ATOM 275 N MET A 103 60.905 -2.432 -8.363 1.00 0.68 N ATOM 276 CA MET A 103 59.493 -2.704 -8.764 1.00 0.81 C ATOM 277 C MET A 103 58.549 -1.680 -8.128 1.00 0.79 C ATOM 278 O MET A 103 57.352 -1.720 -8.328 1.00 0.90 O ATOM 279 CB MET A 103 59.194 -4.108 -8.238 1.00 0.91 C ATOM 280 CG MET A 103 57.873 -4.605 -8.827 1.00 1.35 C ATOM 281 SD MET A 103 56.582 -4.536 -7.560 1.00 1.92 S ATOM 282 CE MET A 103 56.865 -6.181 -6.859 1.00 1.63 C ATOM 0 H MET A 103 61.141 -2.683 -7.403 1.00 0.68 H new ATOM 0 HA MET A 103 59.353 -2.633 -9.843 1.00 0.81 H new ATOM 0 HB2 MET A 103 60.002 -4.788 -8.507 1.00 0.91 H new ATOM 0 HB3 MET A 103 59.137 -4.095 -7.150 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.591 -3.992 -9.683 1.00 1.35 H new ATOM 0 HG3 MET A 103 57.986 -5.626 -9.191 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.163 -6.355 -6.043 1.00 1.63 H new ATOM 0 HE2 MET A 103 56.718 -6.936 -7.631 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.885 -6.244 -6.480 1.00 1.63 H new ATOM 292 N PHE A 104 59.075 -0.763 -7.364 1.00 0.71 N ATOM 293 CA PHE A 104 58.201 0.260 -6.721 1.00 0.75 C ATOM 294 C PHE A 104 58.790 1.661 -6.917 1.00 0.68 C ATOM 295 O PHE A 104 58.268 2.638 -6.420 1.00 0.80 O ATOM 296 CB PHE A 104 58.178 -0.113 -5.237 1.00 0.76 C ATOM 297 CG PHE A 104 57.109 -1.153 -4.996 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.784 -0.760 -4.768 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.444 -2.513 -4.998 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.795 -1.726 -4.543 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.455 -3.478 -4.772 1.00 2.03 C ATOM 302 CZ PHE A 104 55.131 -3.085 -4.546 1.00 1.76 C ATOM 0 H PHE A 104 60.070 -0.677 -7.157 1.00 0.71 H new ATOM 0 HA PHE A 104 57.200 0.276 -7.151 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.151 -0.499 -4.933 1.00 0.76 H new ATOM 0 HB3 PHE A 104 57.983 0.772 -4.632 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.525 0.288 -4.766 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.465 -2.817 -5.174 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.774 -1.423 -4.367 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.714 -4.526 -4.772 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.368 -3.830 -4.374 1.00 1.76 H new ATOM 312 N ASP A 105 59.873 1.765 -7.640 1.00 0.58 N ATOM 313 CA ASP A 105 60.492 3.102 -7.868 1.00 0.52 C ATOM 314 C ASP A 105 59.545 3.987 -8.684 1.00 0.52 C ATOM 315 O ASP A 105 59.626 4.044 -9.896 1.00 0.60 O ATOM 316 CB ASP A 105 61.774 2.817 -8.653 1.00 0.60 C ATOM 317 CG ASP A 105 62.710 4.026 -8.565 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.324 5.006 -7.948 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.797 3.949 -9.116 1.00 0.54 O ATOM 0 H ASP A 105 60.355 0.982 -8.082 1.00 0.58 H new ATOM 0 HA ASP A 105 60.696 3.629 -6.936 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.268 1.932 -8.253 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.535 2.605 -9.695 1.00 0.60 H new ATOM 324 N LYS A 106 58.649 4.676 -8.032 1.00 0.51 N ATOM 325 CA LYS A 106 57.703 5.553 -8.778 1.00 0.60 C ATOM 326 C LYS A 106 58.480 6.604 -9.572 1.00 0.59 C ATOM 327 O LYS A 106 58.172 6.887 -10.713 1.00 0.70 O ATOM 328 CB LYS A 106 56.841 6.219 -7.705 1.00 0.63 C ATOM 329 CG LYS A 106 55.596 6.822 -8.357 1.00 1.39 C ATOM 330 CD LYS A 106 55.817 8.317 -8.593 1.00 1.58 C ATOM 331 CE LYS A 106 54.505 9.071 -8.368 1.00 2.00 C ATOM 332 NZ LYS A 106 53.849 9.106 -9.704 1.00 2.79 N ATOM 0 H LYS A 106 58.531 4.670 -7.019 1.00 0.51 H new ATOM 0 HA LYS A 106 57.098 4.995 -9.492 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.552 5.488 -6.950 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.411 6.996 -7.195 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.388 6.321 -9.302 1.00 1.39 H new ATOM 0 HG3 LYS A 106 54.727 6.669 -7.717 1.00 1.39 H new ATOM 0 HD2 LYS A 106 56.585 8.693 -7.917 1.00 1.58 H new ATOM 0 HD3 LYS A 106 56.176 8.486 -9.608 1.00 1.58 H new ATOM 0 HE2 LYS A 106 53.879 8.564 -7.634 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.687 10.077 -7.991 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 52.941 9.608 -9.632 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 54.465 9.600 -10.380 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.682 8.134 -10.034 1.00 2.79 H new ATOM 346 N ASN A 107 59.488 7.182 -8.981 1.00 0.53 N ATOM 347 CA ASN A 107 60.284 8.210 -9.712 1.00 0.59 C ATOM 348 C ASN A 107 61.224 7.527 -10.708 1.00 0.60 C ATOM 349 O ASN A 107 61.740 8.147 -11.617 1.00 0.71 O ATOM 350 CB ASN A 107 61.086 8.930 -8.633 1.00 0.62 C ATOM 351 CG ASN A 107 62.185 9.770 -9.288 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.289 9.844 -8.785 1.00 1.50 O ATOM 353 ND2 ASN A 107 61.929 10.407 -10.397 1.00 1.67 N ATOM 0 H ASN A 107 59.795 6.989 -8.028 1.00 0.53 H new ATOM 0 HA ASN A 107 59.656 8.897 -10.279 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.429 9.568 -8.042 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.527 8.205 -7.948 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.655 10.968 -10.843 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.002 10.345 -10.819 1.00 1.67 H new ATOM 360 N ALA A 108 61.448 6.254 -10.540 1.00 0.56 N ATOM 361 CA ALA A 108 62.354 5.526 -11.474 1.00 0.62 C ATOM 362 C ALA A 108 63.646 6.322 -11.683 1.00 0.64 C ATOM 363 O ALA A 108 63.857 6.921 -12.718 1.00 0.78 O ATOM 364 CB ALA A 108 61.571 5.422 -12.782 1.00 0.72 C ATOM 0 H ALA A 108 61.043 5.685 -9.796 1.00 0.56 H new ATOM 0 HA ALA A 108 62.642 4.546 -11.092 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.171 4.897 -13.525 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.645 4.873 -12.609 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.337 6.422 -13.146 1.00 0.72 H new ATOM 370 N ASP A 109 64.509 6.335 -10.705 1.00 0.57 N ATOM 371 CA ASP A 109 65.785 7.094 -10.846 1.00 0.63 C ATOM 372 C ASP A 109 66.909 6.385 -10.086 1.00 0.63 C ATOM 373 O ASP A 109 67.963 6.942 -9.851 1.00 0.76 O ATOM 374 CB ASP A 109 65.499 8.464 -10.230 1.00 0.62 C ATOM 375 CG ASP A 109 65.414 8.330 -8.709 1.00 0.70 C ATOM 376 OD1 ASP A 109 64.825 7.365 -8.253 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.940 9.194 -8.027 1.00 1.20 O ATOM 0 H ASP A 109 64.387 5.853 -9.814 1.00 0.57 H new ATOM 0 HA ASP A 109 66.107 7.174 -11.884 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.286 9.168 -10.501 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.565 8.864 -10.624 1.00 0.62 H new ATOM 382 N GLY A 110 66.693 5.155 -9.701 1.00 0.58 N ATOM 383 CA GLY A 110 67.749 4.411 -8.958 1.00 0.62 C ATOM 384 C GLY A 110 67.484 4.509 -7.455 1.00 0.54 C ATOM 385 O GLY A 110 67.787 3.605 -6.701 1.00 0.57 O ATOM 0 H GLY A 110 65.832 4.635 -9.869 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.759 3.366 -9.268 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.731 4.822 -9.192 1.00 0.62 H new ATOM 389 N TYR A 111 66.920 5.599 -7.012 1.00 0.50 N ATOM 390 CA TYR A 111 66.634 5.757 -5.557 1.00 0.48 C ATOM 391 C TYR A 111 65.136 5.986 -5.338 1.00 0.42 C ATOM 392 O TYR A 111 64.395 6.223 -6.270 1.00 0.52 O ATOM 393 CB TYR A 111 67.430 6.990 -5.129 1.00 0.52 C ATOM 394 CG TYR A 111 68.898 6.757 -5.392 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.373 6.688 -6.707 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.784 6.606 -4.318 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.735 6.471 -6.948 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.146 6.389 -4.560 1.00 1.40 C ATOM 399 CZ TYR A 111 71.621 6.321 -5.876 1.00 0.83 C ATOM 400 OH TYR A 111 72.963 6.106 -6.114 1.00 0.97 O ATOM 0 H TYR A 111 66.644 6.389 -7.596 1.00 0.50 H new ATOM 0 HA TYR A 111 66.910 4.873 -4.982 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.086 7.867 -5.678 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.267 7.192 -4.070 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.689 6.802 -7.535 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.417 6.657 -3.304 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.102 6.419 -7.962 1.00 1.46 H new ATOM 0 HE2 TYR A 111 71.830 6.274 -3.732 1.00 1.40 H new ATOM 0 HH TYR A 111 73.438 6.025 -5.260 1.00 0.97 H new ATOM 410 N ILE A 112 64.683 5.916 -4.116 1.00 0.36 N ATOM 411 CA ILE A 112 63.232 6.134 -3.855 1.00 0.32 C ATOM 412 C ILE A 112 63.028 7.072 -2.668 1.00 0.35 C ATOM 413 O ILE A 112 63.563 6.864 -1.597 1.00 0.43 O ATOM 414 CB ILE A 112 62.667 4.760 -3.548 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.049 3.827 -4.703 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.144 4.878 -3.417 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.949 2.797 -4.950 1.00 0.46 C ATOM 0 H ILE A 112 65.251 5.719 -3.292 1.00 0.36 H new ATOM 0 HA ILE A 112 62.736 6.598 -4.708 1.00 0.32 H new ATOM 0 HB ILE A 112 63.065 4.359 -2.616 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.218 4.411 -5.608 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.985 3.319 -4.472 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.721 3.898 -3.196 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.901 5.569 -2.610 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.726 5.251 -4.352 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.240 2.145 -5.773 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.800 2.201 -4.050 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.021 3.309 -5.203 1.00 0.46 H new ATOM 429 N ASP A 113 62.250 8.097 -2.849 1.00 0.36 N ATOM 430 CA ASP A 113 61.999 9.049 -1.730 1.00 0.44 C ATOM 431 C ASP A 113 60.707 8.669 -1.002 1.00 0.44 C ATOM 432 O ASP A 113 60.177 7.592 -1.187 1.00 0.60 O ATOM 433 CB ASP A 113 61.864 10.421 -2.392 1.00 0.56 C ATOM 434 CG ASP A 113 60.622 10.441 -3.284 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.537 10.263 -2.758 1.00 1.53 O ATOM 436 OD2 ASP A 113 60.779 10.635 -4.478 1.00 1.58 O ATOM 0 H ASP A 113 61.775 8.320 -3.724 1.00 0.36 H new ATOM 0 HA ASP A 113 62.798 9.038 -0.989 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.790 11.197 -1.631 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.753 10.639 -2.984 1.00 0.56 H new ATOM 441 N LEU A 114 60.199 9.538 -0.172 1.00 0.47 N ATOM 442 CA LEU A 114 58.943 9.213 0.567 1.00 0.47 C ATOM 443 C LEU A 114 57.762 9.120 -0.402 1.00 0.50 C ATOM 444 O LEU A 114 57.052 8.136 -0.436 1.00 0.52 O ATOM 445 CB LEU A 114 58.745 10.371 1.547 1.00 0.57 C ATOM 446 CG LEU A 114 57.993 9.879 2.787 1.00 0.68 C ATOM 447 CD1 LEU A 114 56.560 9.504 2.407 1.00 1.36 C ATOM 448 CD2 LEU A 114 58.701 8.648 3.357 1.00 1.57 C ATOM 0 H LEU A 114 60.596 10.456 0.027 1.00 0.47 H new ATOM 0 HA LEU A 114 59.006 8.253 1.079 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.711 10.784 1.837 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.186 11.174 1.067 1.00 0.57 H new ATOM 0 HG LEU A 114 57.975 10.673 3.534 1.00 0.68 H new ATOM 0 HD11 LEU A 114 56.028 9.154 3.292 1.00 1.36 H new ATOM 0 HD12 LEU A 114 56.051 10.378 2.000 1.00 1.36 H new ATOM 0 HD13 LEU A 114 56.578 8.712 1.658 1.00 1.36 H new ATOM 0 HD21 LEU A 114 58.166 8.297 4.240 1.00 1.57 H new ATOM 0 HD22 LEU A 114 58.719 7.858 2.606 1.00 1.57 H new ATOM 0 HD23 LEU A 114 59.723 8.911 3.632 1.00 1.57 H new ATOM 460 N GLU A 115 57.542 10.137 -1.187 1.00 0.56 N ATOM 461 CA GLU A 115 56.402 10.102 -2.146 1.00 0.64 C ATOM 462 C GLU A 115 56.392 8.777 -2.917 1.00 0.56 C ATOM 463 O GLU A 115 55.365 8.332 -3.390 1.00 0.61 O ATOM 464 CB GLU A 115 56.650 11.272 -3.099 1.00 0.77 C ATOM 465 CG GLU A 115 55.754 11.122 -4.330 1.00 1.54 C ATOM 466 CD GLU A 115 56.597 10.673 -5.524 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.835 9.482 -5.642 1.00 2.67 O ATOM 468 OE2 GLU A 115 56.990 11.527 -6.301 1.00 2.45 O ATOM 0 H GLU A 115 58.101 10.990 -1.207 1.00 0.56 H new ATOM 0 HA GLU A 115 55.439 10.181 -1.641 1.00 0.64 H new ATOM 0 HB2 GLU A 115 56.441 12.216 -2.596 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.698 11.296 -3.399 1.00 0.77 H new ATOM 0 HG2 GLU A 115 54.967 10.394 -4.133 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.264 12.069 -4.553 1.00 1.54 H new ATOM 475 N GLU A 116 57.527 8.150 -3.054 1.00 0.49 N ATOM 476 CA GLU A 116 57.582 6.860 -3.803 1.00 0.45 C ATOM 477 C GLU A 116 57.292 5.668 -2.883 1.00 0.43 C ATOM 478 O GLU A 116 56.552 4.771 -3.233 1.00 0.51 O ATOM 479 CB GLU A 116 59.008 6.782 -4.345 1.00 0.42 C ATOM 480 CG GLU A 116 59.309 8.029 -5.175 1.00 0.94 C ATOM 481 CD GLU A 116 60.692 7.897 -5.815 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.055 6.786 -6.170 1.00 1.43 O ATOM 483 OE2 GLU A 116 61.365 8.907 -5.940 1.00 1.28 O ATOM 0 H GLU A 116 58.419 8.473 -2.681 1.00 0.49 H new ATOM 0 HA GLU A 116 56.833 6.822 -4.594 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.717 6.701 -3.521 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.127 5.888 -4.957 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.550 8.156 -5.947 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.273 8.916 -4.543 1.00 0.94 H new ATOM 490 N LEU A 117 57.882 5.640 -1.717 1.00 0.37 N ATOM 491 CA LEU A 117 57.652 4.493 -0.792 1.00 0.42 C ATOM 492 C LEU A 117 56.190 4.439 -0.345 1.00 0.50 C ATOM 493 O LEU A 117 55.543 3.414 -0.437 1.00 0.58 O ATOM 494 CB LEU A 117 58.567 4.760 0.403 1.00 0.43 C ATOM 495 CG LEU A 117 58.682 3.491 1.248 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.676 2.530 0.594 1.00 0.90 C ATOM 497 CD2 LEU A 117 59.176 3.855 2.650 1.00 1.53 C ATOM 0 H LEU A 117 58.512 6.361 -1.366 1.00 0.37 H new ATOM 0 HA LEU A 117 57.866 3.537 -1.270 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.553 5.071 0.058 1.00 0.43 H new ATOM 0 HB3 LEU A 117 58.168 5.576 1.005 1.00 0.43 H new ATOM 0 HG LEU A 117 57.705 3.013 1.318 1.00 0.61 H new ATOM 0 HD11 LEU A 117 59.758 1.625 1.197 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.327 2.270 -0.405 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.653 3.009 0.524 1.00 0.90 H new ATOM 0 HD21 LEU A 117 59.258 2.951 3.253 1.00 1.53 H new ATOM 0 HD22 LEU A 117 60.153 4.334 2.579 1.00 1.53 H new ATOM 0 HD23 LEU A 117 58.469 4.540 3.118 1.00 1.53 H new ATOM 509 N LYS A 118 55.665 5.525 0.148 1.00 0.52 N ATOM 510 CA LYS A 118 54.249 5.512 0.608 1.00 0.63 C ATOM 511 C LYS A 118 53.343 4.916 -0.473 1.00 0.71 C ATOM 512 O LYS A 118 52.326 4.320 -0.183 1.00 0.83 O ATOM 513 CB LYS A 118 53.894 6.976 0.875 1.00 0.68 C ATOM 514 CG LYS A 118 53.679 7.705 -0.451 1.00 1.05 C ATOM 515 CD LYS A 118 53.915 9.202 -0.247 1.00 1.33 C ATOM 516 CE LYS A 118 53.096 9.692 0.948 1.00 1.49 C ATOM 517 NZ LYS A 118 52.205 10.749 0.395 1.00 1.82 N ATOM 0 H LYS A 118 56.151 6.416 0.252 1.00 0.52 H new ATOM 0 HA LYS A 118 54.114 4.900 1.500 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.992 7.036 1.484 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.693 7.457 1.440 1.00 0.68 H new ATOM 0 HG2 LYS A 118 54.361 7.317 -1.208 1.00 1.05 H new ATOM 0 HG3 LYS A 118 52.667 7.531 -0.815 1.00 1.05 H new ATOM 0 HD2 LYS A 118 54.975 9.394 -0.078 1.00 1.33 H new ATOM 0 HD3 LYS A 118 53.631 9.751 -1.145 1.00 1.33 H new ATOM 0 HE2 LYS A 118 52.518 8.880 1.390 1.00 1.49 H new ATOM 0 HE3 LYS A 118 53.740 10.089 1.732 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 51.610 11.135 1.156 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.783 11.511 -0.013 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.599 10.340 -0.344 1.00 1.82 H new ATOM 531 N ILE A 119 53.706 5.067 -1.716 1.00 0.72 N ATOM 532 CA ILE A 119 52.865 4.503 -2.810 1.00 0.84 C ATOM 533 C ILE A 119 52.899 2.972 -2.755 1.00 0.86 C ATOM 534 O ILE A 119 51.885 2.314 -2.878 1.00 0.96 O ATOM 535 CB ILE A 119 53.501 5.015 -4.103 1.00 0.93 C ATOM 536 CG1 ILE A 119 53.082 6.470 -4.329 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.028 4.164 -5.284 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.682 6.976 -5.641 1.00 1.08 C ATOM 0 H ILE A 119 54.547 5.556 -2.022 1.00 0.72 H new ATOM 0 HA ILE A 119 51.820 4.801 -2.731 1.00 0.84 H new ATOM 0 HB ILE A 119 54.586 4.950 -4.023 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.995 6.546 -4.361 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.421 7.090 -3.499 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.483 4.532 -6.203 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.320 3.126 -5.125 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.943 4.227 -5.366 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.384 8.012 -5.802 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.769 6.915 -5.591 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.322 6.362 -6.467 1.00 1.08 H new ATOM 550 N MET A 120 54.057 2.403 -2.564 1.00 0.82 N ATOM 551 CA MET A 120 54.156 0.917 -2.492 1.00 0.92 C ATOM 552 C MET A 120 53.116 0.373 -1.510 1.00 0.92 C ATOM 553 O MET A 120 52.304 -0.465 -1.848 1.00 1.01 O ATOM 554 CB MET A 120 55.576 0.646 -1.987 1.00 0.96 C ATOM 555 CG MET A 120 55.667 -0.778 -1.435 1.00 1.50 C ATOM 556 SD MET A 120 55.994 -0.715 0.345 1.00 2.13 S ATOM 557 CE MET A 120 57.780 -0.993 0.259 1.00 2.73 C ATOM 0 H MET A 120 54.940 2.902 -2.455 1.00 0.82 H new ATOM 0 HA MET A 120 53.968 0.435 -3.451 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.292 0.778 -2.799 1.00 0.96 H new ATOM 0 HB3 MET A 120 55.839 1.364 -1.210 1.00 0.96 H new ATOM 0 HG2 MET A 120 54.737 -1.314 -1.626 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.461 -1.326 -1.942 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.261 -0.539 1.125 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.982 -2.064 0.252 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.175 -0.544 -0.652 1.00 2.73 H new ATOM 567 N LEU A 121 53.134 0.849 -0.297 1.00 0.88 N ATOM 568 CA LEU A 121 52.146 0.369 0.710 1.00 0.96 C ATOM 569 C LEU A 121 50.725 0.614 0.206 1.00 0.99 C ATOM 570 O LEU A 121 49.827 -0.158 0.460 1.00 1.12 O ATOM 571 CB LEU A 121 52.401 1.209 1.952 1.00 0.98 C ATOM 572 CG LEU A 121 53.843 1.017 2.426 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.230 2.164 3.361 1.00 1.51 C ATOM 574 CD2 LEU A 121 53.959 -0.311 3.175 1.00 1.81 C ATOM 0 H LEU A 121 53.791 1.551 0.042 1.00 0.88 H new ATOM 0 HA LEU A 121 52.249 -0.698 0.905 1.00 0.96 H new ATOM 0 HB2 LEU A 121 52.218 2.261 1.733 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.708 0.923 2.743 1.00 0.98 H new ATOM 0 HG LEU A 121 54.511 1.010 1.565 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.257 2.027 3.699 1.00 1.51 H new ATOM 0 HD12 LEU A 121 54.146 3.111 2.829 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.563 2.172 4.223 1.00 1.51 H new ATOM 0 HD21 LEU A 121 54.986 -0.449 3.513 1.00 1.81 H new ATOM 0 HD22 LEU A 121 53.291 -0.302 4.036 1.00 1.81 H new ATOM 0 HD23 LEU A 121 53.683 -1.129 2.510 1.00 1.81 H new ATOM 586 N GLN A 122 50.515 1.690 -0.505 1.00 0.95 N ATOM 587 CA GLN A 122 49.148 1.973 -1.022 1.00 1.05 C ATOM 588 C GLN A 122 48.734 0.857 -1.974 1.00 1.12 C ATOM 589 O GLN A 122 47.574 0.513 -2.083 1.00 1.24 O ATOM 590 CB GLN A 122 49.263 3.305 -1.761 1.00 1.07 C ATOM 591 CG GLN A 122 48.369 4.336 -1.075 1.00 1.49 C ATOM 592 CD GLN A 122 48.703 5.733 -1.600 1.00 1.51 C ATOM 593 OE1 GLN A 122 48.152 6.172 -2.590 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.590 6.456 -0.973 1.00 1.52 N ATOM 0 H GLN A 122 51.226 2.380 -0.748 1.00 0.95 H new ATOM 0 HA GLN A 122 48.399 2.025 -0.232 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.298 3.646 -1.762 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.966 3.184 -2.803 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.320 4.106 -1.264 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.514 4.298 0.005 1.00 1.49 H new ATOM 0 HE21 GLN A 122 50.053 6.088 -0.142 1.00 1.52 H new ATOM 0 HE22 GLN A 122 49.821 7.389 -1.314 1.00 1.52 H new ATOM 603 N ALA A 123 49.683 0.278 -2.654 1.00 1.11 N ATOM 604 CA ALA A 123 49.356 -0.832 -3.587 1.00 1.26 C ATOM 605 C ALA A 123 48.968 -2.068 -2.775 1.00 1.39 C ATOM 606 O ALA A 123 48.288 -2.954 -3.253 1.00 1.55 O ATOM 607 CB ALA A 123 50.642 -1.085 -4.373 1.00 1.31 C ATOM 0 H ALA A 123 50.671 0.526 -2.603 1.00 1.11 H new ATOM 0 HA ALA A 123 48.524 -0.598 -4.251 1.00 1.26 H new ATOM 0 HB1 ALA A 123 50.480 -1.894 -5.085 1.00 1.31 H new ATOM 0 HB2 ALA A 123 50.924 -0.180 -4.910 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.441 -1.362 -3.685 1.00 1.31 H new ATOM 682 N THR A 129 47.295 7.567 5.738 1.00 1.18 N ATOM 683 CA THR A 129 47.737 8.991 5.716 1.00 1.21 C ATOM 684 C THR A 129 49.248 9.081 5.939 1.00 1.10 C ATOM 685 O THR A 129 49.924 8.084 6.101 1.00 1.04 O ATOM 686 CB THR A 129 46.982 9.664 6.860 1.00 1.37 C ATOM 687 OG1 THR A 129 45.745 8.996 7.069 1.00 1.63 O ATOM 688 CG2 THR A 129 46.720 11.127 6.503 1.00 1.63 C ATOM 0 HA THR A 129 47.530 9.470 4.759 1.00 1.21 H new ATOM 0 HB THR A 129 47.579 9.613 7.771 1.00 1.37 H new ATOM 0 HG1 THR A 129 45.877 8.029 6.983 1.00 1.63 H new ATOM 0 HG21 THR A 129 46.181 11.610 7.318 1.00 1.63 H new ATOM 0 HG22 THR A 129 47.669 11.638 6.343 1.00 1.63 H new ATOM 0 HG23 THR A 129 46.123 11.178 5.593 1.00 1.63 H new ATOM 696 N GLU A 130 49.785 10.270 5.944 1.00 1.13 N ATOM 697 CA GLU A 130 51.253 10.428 6.151 1.00 1.09 C ATOM 698 C GLU A 130 51.620 10.175 7.616 1.00 1.03 C ATOM 699 O GLU A 130 52.778 10.166 7.982 1.00 0.98 O ATOM 700 CB GLU A 130 51.551 11.877 5.765 1.00 1.23 C ATOM 701 CG GLU A 130 51.259 12.079 4.277 1.00 1.68 C ATOM 702 CD GLU A 130 50.193 13.163 4.107 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.524 14.324 4.278 1.00 2.77 O ATOM 704 OE2 GLU A 130 49.063 12.814 3.807 1.00 2.66 O ATOM 0 H GLU A 130 49.270 11.141 5.813 1.00 1.13 H new ATOM 0 HA GLU A 130 51.830 9.718 5.558 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.942 12.556 6.361 1.00 1.23 H new ATOM 0 HB3 GLU A 130 52.593 12.114 5.977 1.00 1.23 H new ATOM 0 HG2 GLU A 130 52.171 12.366 3.753 1.00 1.68 H new ATOM 0 HG3 GLU A 130 50.916 11.144 3.833 1.00 1.68 H new ATOM 711 N ASP A 131 50.644 9.971 8.459 1.00 1.08 N ATOM 712 CA ASP A 131 50.947 9.722 9.898 1.00 1.10 C ATOM 713 C ASP A 131 51.546 8.323 10.081 1.00 0.95 C ATOM 714 O ASP A 131 52.384 8.103 10.933 1.00 0.88 O ATOM 715 CB ASP A 131 49.596 9.837 10.614 1.00 1.27 C ATOM 716 CG ASP A 131 48.792 8.546 10.426 1.00 1.65 C ATOM 717 OD1 ASP A 131 49.008 7.623 11.192 1.00 2.28 O ATOM 718 OD2 ASP A 131 47.977 8.505 9.519 1.00 2.09 O ATOM 0 H ASP A 131 49.654 9.966 8.215 1.00 1.08 H new ATOM 0 HA ASP A 131 51.676 10.427 10.296 1.00 1.10 H new ATOM 0 HB2 ASP A 131 49.753 10.026 11.676 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.036 10.685 10.218 1.00 1.27 H new ATOM 723 N ASP A 132 51.120 7.377 9.290 1.00 0.96 N ATOM 724 CA ASP A 132 51.661 5.992 9.420 1.00 0.88 C ATOM 725 C ASP A 132 52.859 5.792 8.485 1.00 0.76 C ATOM 726 O ASP A 132 53.627 4.865 8.638 1.00 0.72 O ATOM 727 CB ASP A 132 50.504 5.078 9.013 1.00 0.99 C ATOM 728 CG ASP A 132 49.860 4.482 10.267 1.00 1.31 C ATOM 729 OD1 ASP A 132 49.772 5.190 11.256 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.466 3.329 10.215 1.00 1.70 O ATOM 0 H ASP A 132 50.420 7.502 8.558 1.00 0.96 H new ATOM 0 HA ASP A 132 52.015 5.782 10.430 1.00 0.88 H new ATOM 0 HB2 ASP A 132 49.764 5.641 8.444 1.00 0.99 H new ATOM 0 HB3 ASP A 132 50.867 4.281 8.364 1.00 0.99 H new ATOM 735 N ILE A 133 53.022 6.651 7.516 1.00 0.78 N ATOM 736 CA ILE A 133 54.171 6.501 6.576 1.00 0.73 C ATOM 737 C ILE A 133 55.311 7.442 6.976 1.00 0.66 C ATOM 738 O ILE A 133 56.424 7.321 6.505 1.00 0.63 O ATOM 739 CB ILE A 133 53.614 6.885 5.205 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.336 6.087 4.934 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.650 6.569 4.126 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.818 6.412 3.530 1.00 0.96 C ATOM 0 H ILE A 133 52.412 7.448 7.334 1.00 0.78 H new ATOM 0 HA ILE A 133 54.579 5.490 6.582 1.00 0.73 H new ATOM 0 HB ILE A 133 53.388 7.951 5.190 1.00 0.84 H new ATOM 0 HG12 ILE A 133 52.536 5.019 5.021 1.00 0.91 H new ATOM 0 HG13 ILE A 133 51.578 6.331 5.678 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.253 6.843 3.149 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.561 7.136 4.319 1.00 1.14 H new ATOM 0 HG23 ILE A 133 54.876 5.503 4.140 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.908 5.844 3.337 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.602 7.478 3.460 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.575 6.146 2.792 1.00 0.96 H new ATOM 754 N GLU A 134 55.040 8.380 7.842 1.00 0.73 N ATOM 755 CA GLU A 134 56.106 9.329 8.274 1.00 0.77 C ATOM 756 C GLU A 134 57.058 8.646 9.259 1.00 0.70 C ATOM 757 O GLU A 134 58.224 8.977 9.341 1.00 0.68 O ATOM 758 CB GLU A 134 55.358 10.472 8.959 1.00 0.96 C ATOM 759 CG GLU A 134 55.120 11.604 7.957 1.00 0.95 C ATOM 760 CD GLU A 134 55.987 12.807 8.329 1.00 1.60 C ATOM 761 OE1 GLU A 134 57.189 12.730 8.132 1.00 2.07 O ATOM 762 OE2 GLU A 134 55.436 13.787 8.804 1.00 2.27 O ATOM 0 H GLU A 134 54.126 8.531 8.269 1.00 0.73 H new ATOM 0 HA GLU A 134 56.713 9.678 7.438 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.406 10.114 9.351 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.934 10.840 9.808 1.00 0.96 H new ATOM 0 HG2 GLU A 134 55.360 11.267 6.949 1.00 0.95 H new ATOM 0 HG3 GLU A 134 54.068 11.888 7.956 1.00 0.95 H new ATOM 769 N GLU A 135 56.569 7.697 10.010 1.00 0.74 N ATOM 770 CA GLU A 135 57.446 6.996 10.993 1.00 0.76 C ATOM 771 C GLU A 135 58.184 5.836 10.316 1.00 0.66 C ATOM 772 O GLU A 135 59.186 5.356 10.807 1.00 0.74 O ATOM 773 CB GLU A 135 56.491 6.468 12.065 1.00 0.88 C ATOM 774 CG GLU A 135 56.186 7.581 13.070 1.00 1.20 C ATOM 775 CD GLU A 135 54.783 8.134 12.809 1.00 1.48 C ATOM 776 OE1 GLU A 135 53.835 7.546 13.303 1.00 2.16 O ATOM 777 OE2 GLU A 135 54.681 9.137 12.120 1.00 1.95 O ATOM 0 H GLU A 135 55.601 7.376 9.986 1.00 0.74 H new ATOM 0 HA GLU A 135 58.208 7.655 11.410 1.00 0.76 H new ATOM 0 HB2 GLU A 135 55.568 6.117 11.604 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.937 5.614 12.576 1.00 0.88 H new ATOM 0 HG2 GLU A 135 56.253 7.195 14.087 1.00 1.20 H new ATOM 0 HG3 GLU A 135 56.925 8.378 12.982 1.00 1.20 H new ATOM 784 N LEU A 136 57.695 5.383 9.195 1.00 0.62 N ATOM 785 CA LEU A 136 58.368 4.254 8.490 1.00 0.66 C ATOM 786 C LEU A 136 59.718 4.707 7.924 1.00 0.61 C ATOM 787 O LEU A 136 60.759 4.441 8.490 1.00 0.70 O ATOM 788 CB LEU A 136 57.414 3.871 7.359 1.00 0.77 C ATOM 789 CG LEU A 136 56.604 2.641 7.771 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.525 1.422 7.835 1.00 1.63 C ATOM 791 CD2 LEU A 136 55.981 2.881 9.148 1.00 1.38 C ATOM 0 H LEU A 136 56.859 5.745 8.736 1.00 0.62 H new ATOM 0 HA LEU A 136 58.571 3.415 9.156 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.745 4.702 7.136 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.977 3.661 6.449 1.00 0.77 H new ATOM 0 HG LEU A 136 55.816 2.463 7.040 1.00 0.86 H new ATOM 0 HD11 LEU A 136 56.948 0.545 8.129 1.00 1.63 H new ATOM 0 HD12 LEU A 136 57.971 1.251 6.855 1.00 1.63 H new ATOM 0 HD13 LEU A 136 58.313 1.599 8.567 1.00 1.63 H new ATOM 0 HD21 LEU A 136 55.403 2.005 9.444 1.00 1.38 H new ATOM 0 HD22 LEU A 136 56.770 3.058 9.879 1.00 1.38 H new ATOM 0 HD23 LEU A 136 55.325 3.751 9.104 1.00 1.38 H new ATOM 803 N MET A 137 59.706 5.387 6.810 1.00 0.55 N ATOM 804 CA MET A 137 60.988 5.852 6.208 1.00 0.59 C ATOM 805 C MET A 137 61.886 6.477 7.278 1.00 0.65 C ATOM 806 O MET A 137 63.091 6.529 7.136 1.00 0.81 O ATOM 807 CB MET A 137 60.579 6.900 5.173 1.00 0.60 C ATOM 808 CG MET A 137 60.627 6.283 3.775 1.00 0.96 C ATOM 809 SD MET A 137 62.033 6.965 2.863 1.00 1.23 S ATOM 810 CE MET A 137 61.628 6.242 1.255 1.00 1.35 C ATOM 0 H MET A 137 58.865 5.640 6.291 1.00 0.55 H new ATOM 0 HA MET A 137 61.554 5.034 5.762 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.574 7.265 5.387 1.00 0.60 H new ATOM 0 HB3 MET A 137 61.248 7.759 5.226 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.718 5.199 3.847 1.00 0.96 H new ATOM 0 HG3 MET A 137 59.699 6.490 3.242 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.417 6.479 0.541 1.00 1.35 H new ATOM 0 HE2 MET A 137 61.541 5.160 1.354 1.00 1.35 H new ATOM 0 HE3 MET A 137 60.682 6.651 0.900 1.00 1.35 H new ATOM 820 N LYS A 138 61.310 6.951 8.348 1.00 0.62 N ATOM 821 CA LYS A 138 62.137 7.571 9.422 1.00 0.79 C ATOM 822 C LYS A 138 63.350 6.691 9.730 1.00 0.86 C ATOM 823 O LYS A 138 64.479 7.143 9.715 1.00 1.16 O ATOM 824 CB LYS A 138 61.212 7.652 10.637 1.00 0.87 C ATOM 825 CG LYS A 138 61.461 8.963 11.385 1.00 1.55 C ATOM 826 CD LYS A 138 61.469 8.699 12.891 1.00 2.07 C ATOM 827 CE LYS A 138 62.821 9.116 13.475 1.00 2.85 C ATOM 828 NZ LYS A 138 63.793 8.121 12.941 1.00 3.36 N ATOM 0 H LYS A 138 60.306 6.936 8.525 1.00 0.62 H new ATOM 0 HA LYS A 138 62.520 8.550 9.135 1.00 0.79 H new ATOM 0 HB2 LYS A 138 60.171 7.595 10.319 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.390 6.804 11.299 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.413 9.395 11.076 1.00 1.55 H new ATOM 0 HG3 LYS A 138 60.686 9.688 11.137 1.00 1.55 H new ATOM 0 HD2 LYS A 138 60.665 9.256 13.373 1.00 2.07 H new ATOM 0 HD3 LYS A 138 61.287 7.642 13.087 1.00 2.07 H new ATOM 0 HE2 LYS A 138 63.086 10.129 13.173 1.00 2.85 H new ATOM 0 HE3 LYS A 138 62.801 9.103 14.565 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 64.610 8.055 13.581 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 63.334 7.191 12.869 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 64.115 8.421 11.999 1.00 3.36 H new ATOM 842 N ASP A 139 63.129 5.435 10.007 1.00 0.71 N ATOM 843 CA ASP A 139 64.271 4.526 10.316 1.00 0.85 C ATOM 844 C ASP A 139 64.819 3.906 9.028 1.00 0.85 C ATOM 845 O ASP A 139 65.931 3.417 8.989 1.00 1.02 O ATOM 846 CB ASP A 139 63.680 3.444 11.219 1.00 0.97 C ATOM 847 CG ASP A 139 64.808 2.588 11.797 1.00 1.50 C ATOM 848 OD1 ASP A 139 65.751 3.160 12.319 1.00 1.80 O ATOM 849 OD2 ASP A 139 64.711 1.376 11.706 1.00 2.33 O ATOM 0 H ASP A 139 62.208 4.998 10.033 1.00 0.71 H new ATOM 0 HA ASP A 139 65.099 5.051 10.793 1.00 0.85 H new ATOM 0 HB2 ASP A 139 63.107 3.902 12.025 1.00 0.97 H new ATOM 0 HB3 ASP A 139 62.990 2.820 10.652 1.00 0.97 H new ATOM 854 N GLY A 140 64.050 3.922 7.974 1.00 0.81 N ATOM 855 CA GLY A 140 64.529 3.333 6.692 1.00 0.86 C ATOM 856 C GLY A 140 65.728 4.131 6.178 1.00 0.77 C ATOM 857 O GLY A 140 66.603 3.603 5.519 1.00 0.86 O ATOM 0 H GLY A 140 63.110 4.318 7.945 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.810 2.291 6.842 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.728 3.344 5.953 1.00 0.86 H new ATOM 861 N ASP A 141 65.777 5.401 6.473 1.00 0.70 N ATOM 862 CA ASP A 141 66.919 6.235 6.002 1.00 0.66 C ATOM 863 C ASP A 141 68.149 5.992 6.881 1.00 0.74 C ATOM 864 O ASP A 141 68.273 6.544 7.957 1.00 0.87 O ATOM 865 CB ASP A 141 66.438 7.678 6.140 1.00 0.66 C ATOM 866 CG ASP A 141 66.670 8.423 4.825 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.626 8.094 4.141 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.888 9.309 4.523 1.00 0.83 O ATOM 0 H ASP A 141 65.075 5.898 7.021 1.00 0.70 H new ATOM 0 HA ASP A 141 67.209 5.998 4.978 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.379 7.696 6.398 1.00 0.66 H new ATOM 0 HB3 ASP A 141 66.972 8.174 6.950 1.00 0.66 H new ATOM 873 N LYS A 142 69.059 5.170 6.434 1.00 0.75 N ATOM 874 CA LYS A 142 70.278 4.894 7.247 1.00 0.87 C ATOM 875 C LYS A 142 71.141 6.156 7.352 1.00 0.89 C ATOM 876 O LYS A 142 72.056 6.230 8.147 1.00 1.05 O ATOM 877 CB LYS A 142 71.020 3.794 6.487 1.00 0.89 C ATOM 878 CG LYS A 142 72.460 3.700 6.997 1.00 1.24 C ATOM 879 CD LYS A 142 72.894 2.234 7.034 1.00 1.26 C ATOM 880 CE LYS A 142 73.231 1.838 8.473 1.00 1.55 C ATOM 881 NZ LYS A 142 74.720 1.857 8.538 1.00 1.99 N ATOM 0 H LYS A 142 69.011 4.678 5.542 1.00 0.75 H new ATOM 0 HA LYS A 142 70.036 4.591 8.266 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.513 2.839 6.622 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.015 4.009 5.418 1.00 0.89 H new ATOM 0 HG2 LYS A 142 73.125 4.271 6.348 1.00 1.24 H new ATOM 0 HG3 LYS A 142 72.534 4.137 7.993 1.00 1.24 H new ATOM 0 HD2 LYS A 142 72.098 1.598 6.648 1.00 1.26 H new ATOM 0 HD3 LYS A 142 73.762 2.084 6.392 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.796 2.537 9.187 1.00 1.55 H new ATOM 0 HE3 LYS A 142 72.838 0.850 8.713 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 75.029 1.595 9.496 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 75.106 1.177 7.852 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 75.065 2.812 8.311 1.00 1.99 H new ATOM 895 N ASN A 143 70.855 7.148 6.555 1.00 0.85 N ATOM 896 CA ASN A 143 71.657 8.405 6.609 1.00 1.05 C ATOM 897 C ASN A 143 70.734 9.623 6.506 1.00 1.07 C ATOM 898 O ASN A 143 71.179 10.736 6.316 1.00 1.56 O ATOM 899 CB ASN A 143 72.589 8.334 5.399 1.00 1.08 C ATOM 900 CG ASN A 143 71.756 8.278 4.117 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.545 8.202 4.169 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.358 8.316 2.960 1.00 1.48 N ATOM 0 H ASN A 143 70.101 7.144 5.868 1.00 0.85 H new ATOM 0 HA ASN A 143 72.211 8.503 7.543 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.246 9.204 5.381 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.228 7.453 5.469 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.812 8.282 2.099 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.375 8.380 2.916 1.00 1.48 H new ATOM 909 N ASN A 144 69.451 9.417 6.629 1.00 0.78 N ATOM 910 CA ASN A 144 68.501 10.562 6.537 1.00 0.82 C ATOM 911 C ASN A 144 68.896 11.487 5.382 1.00 0.82 C ATOM 912 O ASN A 144 69.235 12.637 5.582 1.00 0.92 O ATOM 913 CB ASN A 144 68.628 11.290 7.876 1.00 0.95 C ATOM 914 CG ASN A 144 67.809 10.552 8.937 1.00 1.47 C ATOM 915 OD1 ASN A 144 66.619 10.365 8.780 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.400 10.123 10.019 1.00 1.93 N ATOM 0 H ASN A 144 69.020 8.506 6.789 1.00 0.78 H new ATOM 0 HA ASN A 144 67.479 10.236 6.346 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.674 11.339 8.178 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.276 12.317 7.779 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.863 9.631 10.733 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.399 10.280 10.151 1.00 1.93 H new ATOM 923 N ASP A 145 68.857 10.993 4.175 1.00 0.75 N ATOM 924 CA ASP A 145 69.232 11.843 3.008 1.00 0.78 C ATOM 925 C ASP A 145 68.002 12.121 2.138 1.00 0.74 C ATOM 926 O ASP A 145 68.033 12.947 1.249 1.00 0.81 O ATOM 927 CB ASP A 145 70.260 11.018 2.233 1.00 0.76 C ATOM 928 CG ASP A 145 69.555 9.857 1.528 1.00 1.12 C ATOM 929 OD1 ASP A 145 69.088 8.966 2.219 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.494 9.878 0.310 1.00 1.85 O ATOM 0 H ASP A 145 68.582 10.038 3.946 1.00 0.75 H new ATOM 0 HA ASP A 145 69.630 12.811 3.313 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.770 11.646 1.502 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.022 10.636 2.912 1.00 0.76 H new ATOM 935 N GLY A 146 66.920 11.435 2.388 1.00 0.69 N ATOM 936 CA GLY A 146 65.691 11.659 1.576 1.00 0.70 C ATOM 937 C GLY A 146 65.544 10.536 0.548 1.00 0.58 C ATOM 938 O GLY A 146 64.489 9.951 0.402 1.00 0.62 O ATOM 0 H GLY A 146 66.834 10.729 3.119 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.815 11.689 2.224 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.747 12.623 1.071 1.00 0.70 H new ATOM 942 N ARG A 147 66.593 10.229 -0.165 1.00 0.54 N ATOM 943 CA ARG A 147 66.507 9.141 -1.183 1.00 0.49 C ATOM 944 C ARG A 147 66.963 7.812 -0.576 1.00 0.44 C ATOM 945 O ARG A 147 67.852 7.768 0.250 1.00 0.56 O ATOM 946 CB ARG A 147 67.455 9.564 -2.305 1.00 0.57 C ATOM 947 CG ARG A 147 67.249 11.046 -2.621 1.00 0.78 C ATOM 948 CD ARG A 147 67.529 11.296 -4.104 1.00 0.73 C ATOM 949 NE ARG A 147 68.992 11.567 -4.178 1.00 1.07 N ATOM 950 CZ ARG A 147 69.726 10.946 -5.061 1.00 1.60 C ATOM 951 NH1 ARG A 147 69.256 10.720 -6.257 1.00 2.22 N ATOM 952 NH2 ARG A 147 70.931 10.554 -4.748 1.00 2.32 N ATOM 0 H ARG A 147 67.504 10.682 -0.088 1.00 0.54 H new ATOM 0 HA ARG A 147 65.488 8.998 -1.543 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.488 9.386 -2.008 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.271 8.963 -3.196 1.00 0.57 H new ATOM 0 HG2 ARG A 147 66.229 11.342 -2.378 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.912 11.655 -2.007 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.256 10.431 -4.709 1.00 0.73 H new ATOM 0 HD3 ARG A 147 66.951 12.141 -4.478 1.00 0.73 H new ATOM 0 HE ARG A 147 69.420 12.237 -3.539 1.00 1.07 H new ATOM 0 HH11 ARG A 147 68.315 11.029 -6.502 1.00 2.22 H new ATOM 0 HH12 ARG A 147 69.829 10.235 -6.947 1.00 2.22 H new ATOM 0 HH21 ARG A 147 71.299 10.733 -3.814 1.00 2.32 H new ATOM 0 HH22 ARG A 147 71.505 10.069 -5.438 1.00 2.32 H new ATOM 966 N ILE A 148 66.364 6.729 -0.986 1.00 0.35 N ATOM 967 CA ILE A 148 66.766 5.402 -0.439 1.00 0.36 C ATOM 968 C ILE A 148 67.414 4.564 -1.547 1.00 0.40 C ATOM 969 O ILE A 148 66.862 4.394 -2.615 1.00 0.41 O ATOM 970 CB ILE A 148 65.462 4.765 0.059 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.204 5.216 1.503 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.570 3.236 0.016 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.138 4.324 2.146 1.00 0.40 C ATOM 0 H ILE A 148 65.613 6.705 -1.676 1.00 0.35 H new ATOM 0 HA ILE A 148 67.498 5.477 0.365 1.00 0.36 H new ATOM 0 HB ILE A 148 64.640 5.080 -0.584 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.128 5.166 2.079 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.876 6.256 1.515 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.639 2.795 0.372 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.756 2.913 -1.008 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.392 2.911 0.654 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.960 4.650 3.171 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.211 4.396 1.576 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.482 3.290 2.149 1.00 0.40 H new ATOM 985 N ASP A 149 68.582 4.040 -1.297 1.00 0.47 N ATOM 986 CA ASP A 149 69.266 3.214 -2.335 1.00 0.55 C ATOM 987 C ASP A 149 69.190 1.730 -1.962 1.00 0.58 C ATOM 988 O ASP A 149 68.523 1.351 -1.021 1.00 0.54 O ATOM 989 CB ASP A 149 70.720 3.699 -2.350 1.00 0.65 C ATOM 990 CG ASP A 149 71.238 3.839 -0.917 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.760 2.867 -0.398 1.00 2.00 O ATOM 992 OD2 ASP A 149 71.104 4.918 -0.362 1.00 2.16 O ATOM 0 H ASP A 149 69.093 4.147 -0.421 1.00 0.47 H new ATOM 0 HA ASP A 149 68.801 3.318 -3.315 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.341 2.995 -2.903 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.787 4.657 -2.865 1.00 0.65 H new ATOM 997 N TYR A 150 69.863 0.887 -2.696 1.00 0.67 N ATOM 998 CA TYR A 150 69.822 -0.572 -2.387 1.00 0.73 C ATOM 999 C TYR A 150 70.520 -0.859 -1.054 1.00 0.75 C ATOM 1000 O TYR A 150 70.353 -1.912 -0.470 1.00 0.76 O ATOM 1001 CB TYR A 150 70.575 -1.242 -3.535 1.00 0.84 C ATOM 1002 CG TYR A 150 70.438 -2.740 -3.417 1.00 0.97 C ATOM 1003 CD1 TYR A 150 69.172 -3.317 -3.266 1.00 1.63 C ATOM 1004 CD2 TYR A 150 71.578 -3.554 -3.455 1.00 1.74 C ATOM 1005 CE1 TYR A 150 69.044 -4.707 -3.155 1.00 2.06 C ATOM 1006 CE2 TYR A 150 71.449 -4.943 -3.343 1.00 2.14 C ATOM 1007 CZ TYR A 150 70.182 -5.520 -3.193 1.00 2.02 C ATOM 1008 OH TYR A 150 70.056 -6.890 -3.083 1.00 2.63 O ATOM 0 H TYR A 150 70.440 1.145 -3.497 1.00 0.67 H new ATOM 0 HA TYR A 150 68.800 -0.940 -2.294 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.177 -0.904 -4.492 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.627 -0.959 -3.509 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.293 -2.690 -3.235 1.00 1.63 H new ATOM 0 HD2 TYR A 150 72.556 -3.110 -3.571 1.00 1.74 H new ATOM 0 HE1 TYR A 150 68.067 -5.152 -3.040 1.00 2.06 H new ATOM 0 HE2 TYR A 150 72.328 -5.570 -3.372 1.00 2.14 H new ATOM 0 HH TYR A 150 70.943 -7.305 -3.130 1.00 2.63 H new ATOM 1018 N ASP A 151 71.305 0.064 -0.572 1.00 0.78 N ATOM 1019 CA ASP A 151 72.016 -0.163 0.720 1.00 0.82 C ATOM 1020 C ASP A 151 71.098 0.160 1.903 1.00 0.74 C ATOM 1021 O ASP A 151 70.874 -0.664 2.768 1.00 0.76 O ATOM 1022 CB ASP A 151 73.208 0.795 0.687 1.00 0.87 C ATOM 1023 CG ASP A 151 74.507 -0.005 0.788 1.00 1.31 C ATOM 1024 OD1 ASP A 151 74.437 -1.167 1.151 1.00 2.08 O ATOM 1025 OD2 ASP A 151 75.551 0.559 0.500 1.00 1.67 O ATOM 0 H ASP A 151 71.486 0.965 -1.015 1.00 0.78 H new ATOM 0 HA ASP A 151 72.327 -1.201 0.841 1.00 0.82 H new ATOM 0 HB2 ASP A 151 73.196 1.375 -0.236 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.141 1.505 1.511 1.00 0.87 H new ATOM 1030 N GLU A 152 70.571 1.353 1.952 1.00 0.67 N ATOM 1031 CA GLU A 152 69.674 1.723 3.085 1.00 0.61 C ATOM 1032 C GLU A 152 68.368 0.924 3.015 1.00 0.58 C ATOM 1033 O GLU A 152 67.856 0.467 4.017 1.00 0.58 O ATOM 1034 CB GLU A 152 69.400 3.217 2.901 1.00 0.59 C ATOM 1035 CG GLU A 152 70.711 3.945 2.596 1.00 0.76 C ATOM 1036 CD GLU A 152 70.566 5.428 2.945 1.00 0.75 C ATOM 1037 OE1 GLU A 152 70.362 5.725 4.111 1.00 1.20 O ATOM 1038 OE2 GLU A 152 70.663 6.241 2.041 1.00 1.39 O ATOM 0 H GLU A 152 70.722 2.086 1.259 1.00 0.67 H new ATOM 0 HA GLU A 152 70.124 1.506 4.054 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.690 3.369 2.088 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.945 3.628 3.803 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.526 3.504 3.170 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.965 3.832 1.542 1.00 0.76 H new ATOM 1045 N PHE A 153 67.827 0.754 1.839 1.00 0.60 N ATOM 1046 CA PHE A 153 66.555 -0.013 1.705 1.00 0.61 C ATOM 1047 C PHE A 153 66.727 -1.436 2.243 1.00 0.66 C ATOM 1048 O PHE A 153 65.786 -2.053 2.704 1.00 0.71 O ATOM 1049 CB PHE A 153 66.266 -0.041 0.204 1.00 0.64 C ATOM 1050 CG PHE A 153 65.081 -0.937 -0.064 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.226 -2.328 0.008 1.00 1.47 C ATOM 1052 CD2 PHE A 153 63.838 -0.379 -0.386 1.00 1.18 C ATOM 1053 CE1 PHE A 153 64.128 -3.160 -0.242 1.00 1.55 C ATOM 1054 CE2 PHE A 153 62.740 -1.210 -0.635 1.00 1.24 C ATOM 1055 CZ PHE A 153 62.885 -2.601 -0.564 1.00 0.93 C ATOM 0 H PHE A 153 68.211 1.113 0.965 1.00 0.60 H new ATOM 0 HA PHE A 153 65.742 0.441 2.271 1.00 0.61 H new ATOM 0 HB2 PHE A 153 66.062 0.967 -0.157 1.00 0.64 H new ATOM 0 HB3 PHE A 153 67.139 -0.403 -0.339 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.185 -2.759 0.256 1.00 1.47 H new ATOM 0 HD2 PHE A 153 63.726 0.694 -0.442 1.00 1.18 H new ATOM 0 HE1 PHE A 153 64.240 -4.233 -0.187 1.00 1.55 H new ATOM 0 HE2 PHE A 153 61.781 -0.779 -0.882 1.00 1.24 H new ATOM 0 HZ PHE A 153 62.038 -3.243 -0.758 1.00 0.93 H new ATOM 1065 N LEU A 154 67.918 -1.964 2.185 1.00 0.72 N ATOM 1066 CA LEU A 154 68.144 -3.348 2.690 1.00 0.80 C ATOM 1067 C LEU A 154 67.894 -3.412 4.200 1.00 0.79 C ATOM 1068 O LEU A 154 67.346 -4.370 4.709 1.00 0.82 O ATOM 1069 CB LEU A 154 69.610 -3.649 2.379 1.00 0.92 C ATOM 1070 CG LEU A 154 69.694 -4.679 1.251 1.00 0.85 C ATOM 1071 CD1 LEU A 154 68.951 -5.951 1.664 1.00 1.74 C ATOM 1072 CD2 LEU A 154 69.052 -4.104 -0.013 1.00 1.54 C ATOM 0 H LEU A 154 68.744 -1.498 1.810 1.00 0.72 H new ATOM 0 HA LEU A 154 67.471 -4.069 2.227 1.00 0.80 H new ATOM 0 HB2 LEU A 154 70.126 -2.734 2.089 1.00 0.92 H new ATOM 0 HB3 LEU A 154 70.111 -4.028 3.270 1.00 0.92 H new ATOM 0 HG LEU A 154 70.739 -4.916 1.054 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.011 -6.685 0.860 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.406 -6.362 2.565 1.00 1.74 H new ATOM 0 HD13 LEU A 154 67.906 -5.714 1.861 1.00 1.74 H new ATOM 0 HD21 LEU A 154 69.112 -4.837 -0.817 1.00 1.54 H new ATOM 0 HD22 LEU A 154 68.007 -3.867 0.185 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.580 -3.197 -0.309 1.00 1.54 H new ATOM 1084 N GLU A 155 68.296 -2.400 4.919 1.00 0.79 N ATOM 1085 CA GLU A 155 68.086 -2.403 6.397 1.00 0.82 C ATOM 1086 C GLU A 155 66.692 -1.869 6.741 1.00 0.81 C ATOM 1087 O GLU A 155 66.142 -2.170 7.780 1.00 0.90 O ATOM 1088 CB GLU A 155 69.167 -1.475 6.949 1.00 0.85 C ATOM 1089 CG GLU A 155 69.212 -1.592 8.474 1.00 0.95 C ATOM 1090 CD GLU A 155 70.107 -0.492 9.046 1.00 1.67 C ATOM 1091 OE1 GLU A 155 71.316 -0.644 8.977 1.00 2.47 O ATOM 1092 OE2 GLU A 155 69.568 0.484 9.543 1.00 2.27 O ATOM 0 H GLU A 155 68.761 -1.571 4.548 1.00 0.79 H new ATOM 0 HA GLU A 155 68.151 -3.405 6.820 1.00 0.82 H new ATOM 0 HB2 GLU A 155 70.137 -1.736 6.525 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.960 -0.445 6.659 1.00 0.85 H new ATOM 0 HG2 GLU A 155 68.206 -1.507 8.885 1.00 0.95 H new ATOM 0 HG3 GLU A 155 69.593 -2.572 8.763 1.00 0.95 H new ATOM 1099 N PHE A 156 66.117 -1.078 5.876 1.00 0.75 N ATOM 1100 CA PHE A 156 64.760 -0.528 6.158 1.00 0.78 C ATOM 1101 C PHE A 156 63.737 -1.665 6.229 1.00 0.84 C ATOM 1102 O PHE A 156 62.969 -1.761 7.164 1.00 0.90 O ATOM 1103 CB PHE A 156 64.457 0.397 4.978 1.00 0.78 C ATOM 1104 CG PHE A 156 63.041 0.912 5.086 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.488 1.186 6.343 1.00 1.27 C ATOM 1106 CD2 PHE A 156 62.283 1.113 3.928 1.00 1.66 C ATOM 1107 CE1 PHE A 156 61.175 1.663 6.439 1.00 1.31 C ATOM 1108 CE2 PHE A 156 60.970 1.591 4.025 1.00 1.77 C ATOM 1109 CZ PHE A 156 60.416 1.866 5.280 1.00 1.10 C ATOM 0 H PHE A 156 66.527 -0.789 4.988 1.00 0.75 H new ATOM 0 HA PHE A 156 64.714 -0.000 7.110 1.00 0.78 H new ATOM 0 HB2 PHE A 156 65.158 1.232 4.968 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.588 -0.141 4.039 1.00 0.78 H new ATOM 0 HD1 PHE A 156 63.073 1.030 7.237 1.00 1.27 H new ATOM 0 HD2 PHE A 156 62.710 0.900 2.959 1.00 1.66 H new ATOM 0 HE1 PHE A 156 60.747 1.875 7.408 1.00 1.31 H new ATOM 0 HE2 PHE A 156 60.385 1.747 3.131 1.00 1.77 H new ATOM 0 HZ PHE A 156 59.404 2.235 5.355 1.00 1.10 H new ATOM 1119 N MET A 157 63.723 -2.523 5.245 1.00 0.86 N ATOM 1120 CA MET A 157 62.750 -3.654 5.251 1.00 0.95 C ATOM 1121 C MET A 157 62.895 -4.483 6.531 1.00 0.99 C ATOM 1122 O MET A 157 62.006 -5.221 6.905 1.00 1.12 O ATOM 1123 CB MET A 157 63.114 -4.493 4.027 1.00 0.99 C ATOM 1124 CG MET A 157 63.062 -3.619 2.773 1.00 1.28 C ATOM 1125 SD MET A 157 61.746 -4.210 1.681 1.00 1.48 S ATOM 1126 CE MET A 157 60.669 -2.762 1.818 1.00 1.12 C ATOM 0 H MET A 157 64.344 -2.490 4.436 1.00 0.86 H new ATOM 0 HA MET A 157 61.718 -3.306 5.219 1.00 0.95 H new ATOM 0 HB2 MET A 157 64.111 -4.916 4.147 1.00 0.99 H new ATOM 0 HB3 MET A 157 62.423 -5.330 3.928 1.00 0.99 H new ATOM 0 HG2 MET A 157 62.882 -2.580 3.048 1.00 1.28 H new ATOM 0 HG3 MET A 157 64.021 -3.650 2.255 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.830 -2.866 1.130 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.294 -2.683 2.838 1.00 1.12 H new ATOM 0 HE3 MET A 157 61.234 -1.864 1.568 1.00 1.12 H new ATOM 1136 N LYS A 158 64.008 -4.373 7.204 1.00 0.94 N ATOM 1137 CA LYS A 158 64.198 -5.160 8.457 1.00 1.02 C ATOM 1138 C LYS A 158 63.372 -4.549 9.591 1.00 1.05 C ATOM 1139 O LYS A 158 62.788 -5.249 10.393 1.00 1.20 O ATOM 1140 CB LYS A 158 65.693 -5.065 8.765 1.00 1.07 C ATOM 1141 CG LYS A 158 66.166 -6.379 9.391 1.00 1.26 C ATOM 1142 CD LYS A 158 67.535 -6.755 8.818 1.00 1.53 C ATOM 1143 CE LYS A 158 67.382 -7.153 7.349 1.00 1.45 C ATOM 1144 NZ LYS A 158 67.025 -8.599 7.377 1.00 2.07 N ATOM 0 H LYS A 158 64.792 -3.775 6.942 1.00 0.94 H new ATOM 0 HA LYS A 158 63.873 -6.195 8.350 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.252 -4.862 7.851 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.884 -4.235 9.446 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.229 -6.276 10.474 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.445 -7.171 9.188 1.00 1.26 H new ATOM 0 HD2 LYS A 158 68.222 -5.914 8.908 1.00 1.53 H new ATOM 0 HD3 LYS A 158 67.965 -7.580 9.386 1.00 1.53 H new ATOM 0 HE2 LYS A 158 66.606 -6.564 6.859 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.306 -6.985 6.796 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 66.433 -8.826 6.553 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 67.893 -9.171 7.348 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 66.500 -8.810 8.249 1.00 2.07 H new