USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 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 198 CYS SG : rot 119:sc= -1.16! USER MOD Set 1.2: A 218 CYS SG : rot 170:sc= -0.708 USER MOD Single : A 149 SER OG : rot 152:sc= -0.518 USER MOD Single : A 155 GLN : amide:sc= -5.22! C(o=-5.2!,f=-16!) USER MOD Single : A 164 TYR OH : rot -162:sc= 0.6 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.434 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 83:sc= -0.937 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.017) USER MOD Single : A 193 ASN :FLIP amide:sc= -3.59! C(o=-4.5!,f=-3.6!) USER MOD Single : A 195 ASN : amide:sc= -4.38! C(o=-4.4!,f=-9.5!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 214 MET CE :methyl 171:sc= -0.186 (180deg=-0.457) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc=-0.00633 X(o=-0.0063,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.147 5.108 7.605 1.00 0.00 N ATOM 16 CA SER A 149 -11.843 5.629 7.983 1.00 0.00 C ATOM 17 C SER A 149 -10.761 5.039 7.076 1.00 0.00 C ATOM 18 O SER A 149 -11.045 4.180 6.242 1.00 0.00 O ATOM 19 CB SER A 149 -11.532 5.324 9.450 1.00 0.00 C ATOM 20 OG SER A 149 -10.296 5.898 9.863 1.00 0.00 O ATOM 0 HA SER A 149 -11.859 6.712 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.337 5.705 10.078 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.498 4.244 9.597 1.00 0.00 H new ATOM 0 HG SER A 149 -10.327 6.085 10.824 1.00 0.00 H new ATOM 26 N ILE A 150 -9.543 5.521 7.272 1.00 0.00 N ATOM 27 CA ILE A 150 -8.417 5.052 6.482 1.00 0.00 C ATOM 28 C ILE A 150 -8.063 3.625 6.906 1.00 0.00 C ATOM 29 O ILE A 150 -7.384 2.908 6.172 1.00 0.00 O ATOM 30 CB ILE A 150 -7.246 6.033 6.584 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.710 7.469 6.329 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.106 5.623 5.649 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.807 7.755 4.830 1.00 0.00 C ATOM 0 H ILE A 150 -9.311 6.231 7.966 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.681 5.015 5.425 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.857 5.997 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.681 7.630 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.013 8.168 6.792 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.286 6.336 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.753 4.628 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.465 5.613 4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.139 8.782 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.829 7.617 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.523 7.070 4.375 1.00 0.00 H new ATOM 45 N LEU A 151 -8.539 3.256 8.085 1.00 0.00 N ATOM 46 CA LEU A 151 -8.281 1.928 8.615 1.00 0.00 C ATOM 47 C LEU A 151 -9.011 0.892 7.757 1.00 0.00 C ATOM 48 O LEU A 151 -8.564 -0.248 7.640 1.00 0.00 O ATOM 49 CB LEU A 151 -8.644 1.862 10.099 1.00 0.00 C ATOM 50 CG LEU A 151 -10.132 1.987 10.433 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.728 0.626 10.800 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.363 3.029 11.529 1.00 0.00 C ATOM 0 H LEU A 151 -9.103 3.854 8.689 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.217 1.697 8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.281 0.916 10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.108 2.655 10.619 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.654 2.337 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.786 0.743 11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.615 -0.059 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.208 0.223 11.669 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.429 3.098 11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.827 2.734 12.431 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.998 3.999 11.191 1.00 0.00 H new ATOM 64 N ASP A 152 -10.121 1.325 7.178 1.00 0.00 N ATOM 65 CA ASP A 152 -10.918 0.450 6.335 1.00 0.00 C ATOM 66 C ASP A 152 -10.184 0.219 5.012 1.00 0.00 C ATOM 67 O ASP A 152 -10.534 -0.685 4.255 1.00 0.00 O ATOM 68 CB ASP A 152 -12.277 1.076 6.020 1.00 0.00 C ATOM 69 CG ASP A 152 -13.171 0.248 5.094 1.00 0.00 C ATOM 70 OD1 ASP A 152 -14.008 -0.543 5.553 1.00 0.00 O ATOM 71 OD2 ASP A 152 -12.978 0.444 3.834 1.00 0.00 O ATOM 0 H ASP A 152 -10.488 2.272 7.276 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.070 -0.488 6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.808 1.246 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.114 2.053 5.565 1.00 0.00 H new ATOM 77 N ILE A 153 -9.183 1.053 4.774 1.00 0.00 N ATOM 78 CA ILE A 153 -8.399 0.952 3.555 1.00 0.00 C ATOM 79 C ILE A 153 -7.296 -0.091 3.748 1.00 0.00 C ATOM 80 O ILE A 153 -6.316 0.159 4.449 1.00 0.00 O ATOM 81 CB ILE A 153 -7.877 2.328 3.137 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.028 3.248 2.719 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.816 2.203 2.043 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.105 3.305 3.804 1.00 0.00 C ATOM 0 H ILE A 153 -8.897 1.802 5.405 1.00 0.00 H new ATOM 0 HA ILE A 153 -9.022 0.609 2.729 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.396 2.787 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.646 4.251 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.464 2.890 1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.462 3.196 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.980 1.610 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.249 1.714 1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.911 3.965 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.502 2.304 3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.671 3.686 4.728 1.00 0.00 H new ATOM 96 N ARG A 154 -7.494 -1.238 3.115 1.00 0.00 N ATOM 97 CA ARG A 154 -6.528 -2.320 3.208 1.00 0.00 C ATOM 98 C ARG A 154 -6.442 -3.072 1.879 1.00 0.00 C ATOM 99 O ARG A 154 -7.402 -3.090 1.110 1.00 0.00 O ATOM 100 CB ARG A 154 -6.907 -3.302 4.319 1.00 0.00 C ATOM 101 CG ARG A 154 -5.673 -4.038 4.845 1.00 0.00 C ATOM 102 CD ARG A 154 -5.783 -5.543 4.594 1.00 0.00 C ATOM 103 NE ARG A 154 -5.382 -6.289 5.807 1.00 0.00 N ATOM 104 CZ ARG A 154 -5.225 -7.629 5.854 1.00 0.00 C ATOM 105 NH1 ARG A 154 -5.433 -8.382 4.753 1.00 0.00 N ATOM 106 NH2 ARG A 154 -4.863 -8.192 6.992 1.00 0.00 N ATOM 0 H ARG A 154 -8.309 -1.442 2.536 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.559 -1.880 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.390 -2.764 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.631 -4.023 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.779 -3.649 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.562 -3.851 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.806 -5.801 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -5.148 -5.828 3.755 1.00 0.00 H new ATOM 0 HE ARG A 154 -5.214 -5.758 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -5.711 -7.939 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -5.312 -9.394 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -4.706 -7.616 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -4.740 -9.203 7.044 1.00 0.00 H new ATOM 120 N GLN A 155 -5.284 -3.672 1.648 1.00 0.00 N ATOM 121 CA GLN A 155 -5.060 -4.424 0.425 1.00 0.00 C ATOM 122 C GLN A 155 -5.618 -5.841 0.563 1.00 0.00 C ATOM 123 O GLN A 155 -4.941 -6.731 1.076 1.00 0.00 O ATOM 124 CB GLN A 155 -3.573 -4.451 0.062 1.00 0.00 C ATOM 125 CG GLN A 155 -2.723 -4.852 1.269 1.00 0.00 C ATOM 126 CD GLN A 155 -1.362 -5.394 0.824 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.315 -4.946 1.260 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.437 -6.379 -0.065 1.00 0.00 N ATOM 0 H GLN A 155 -4.490 -3.653 2.288 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.589 -3.925 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.407 -5.154 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.264 -3.469 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.580 -3.990 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.247 -5.609 1.852 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -2.347 -6.706 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -0.584 -6.808 -0.424 1.00 0.00 H new ATOM 196 N PRO A 160 -5.891 -5.776 -5.797 1.00 0.00 N ATOM 197 CA PRO A 160 -4.541 -5.356 -6.130 1.00 0.00 C ATOM 198 C PRO A 160 -4.113 -4.162 -5.274 1.00 0.00 C ATOM 199 O PRO A 160 -4.930 -3.577 -4.565 1.00 0.00 O ATOM 200 CB PRO A 160 -4.584 -5.036 -7.615 1.00 0.00 C ATOM 201 CG PRO A 160 -6.052 -4.841 -7.959 1.00 0.00 C ATOM 202 CD PRO A 160 -6.877 -5.380 -6.800 1.00 0.00 C ATOM 0 HA PRO A 160 -3.797 -6.126 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.008 -4.137 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.150 -5.846 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.269 -3.786 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.301 -5.365 -8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.556 -4.621 -6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.489 -6.227 -7.110 1.00 0.00 H new ATOM 210 N PHE A 161 -2.832 -3.839 -5.366 1.00 0.00 N ATOM 211 CA PHE A 161 -2.283 -2.726 -4.608 1.00 0.00 C ATOM 212 C PHE A 161 -2.793 -1.389 -5.150 1.00 0.00 C ATOM 213 O PHE A 161 -2.961 -0.432 -4.395 1.00 0.00 O ATOM 214 CB PHE A 161 -0.763 -2.782 -4.767 1.00 0.00 C ATOM 215 CG PHE A 161 -0.013 -1.727 -3.951 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.063 -1.841 -2.598 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.578 -0.675 -4.579 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.759 -0.862 -1.842 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.274 0.303 -3.822 1.00 0.00 C ATOM 220 CZ PHE A 161 1.349 0.190 -2.469 1.00 0.00 C ATOM 0 H PHE A 161 -2.157 -4.328 -5.954 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.585 -2.803 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.413 -3.771 -4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.513 -2.657 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.406 -2.676 -2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.518 -0.584 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.820 -0.953 -0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 161 1.744 1.137 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.877 0.936 -1.893 1.00 0.00 H new ATOM 230 N ARG A 162 -3.027 -1.367 -6.454 1.00 0.00 N ATOM 231 CA ARG A 162 -3.514 -0.164 -7.106 1.00 0.00 C ATOM 232 C ARG A 162 -4.868 0.245 -6.524 1.00 0.00 C ATOM 233 O ARG A 162 -5.089 1.417 -6.219 1.00 0.00 O ATOM 234 CB ARG A 162 -3.658 -0.375 -8.615 1.00 0.00 C ATOM 235 CG ARG A 162 -3.220 0.872 -9.387 1.00 0.00 C ATOM 236 CD ARG A 162 -3.224 0.612 -10.895 1.00 0.00 C ATOM 237 NE ARG A 162 -2.448 1.661 -11.592 1.00 0.00 N ATOM 238 CZ ARG A 162 -1.102 1.662 -11.698 1.00 0.00 C ATOM 239 NH1 ARG A 162 -0.371 0.666 -11.151 1.00 0.00 N ATOM 240 NH2 ARG A 162 -0.511 2.650 -12.344 1.00 0.00 N ATOM 0 H ARG A 162 -2.888 -2.163 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.785 0.627 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.056 -1.229 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.695 -0.611 -8.856 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.889 1.701 -9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.221 1.169 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.796 -0.368 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.248 0.598 -11.267 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.962 2.432 -12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -0.836 -0.094 -10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 162 0.645 0.674 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -1.070 3.398 -12.754 1.00 0.00 H new ATOM 0 HH22 ARG A 162 0.505 2.666 -12.433 1.00 0.00 H new ATOM 254 N ASP A 163 -5.738 -0.742 -6.385 1.00 0.00 N ATOM 255 CA ASP A 163 -7.065 -0.501 -5.845 1.00 0.00 C ATOM 256 C ASP A 163 -6.947 -0.102 -4.373 1.00 0.00 C ATOM 257 O ASP A 163 -7.720 0.720 -3.883 1.00 0.00 O ATOM 258 CB ASP A 163 -7.932 -1.760 -5.925 1.00 0.00 C ATOM 259 CG ASP A 163 -8.102 -2.338 -7.331 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.439 -1.908 -8.284 1.00 0.00 O ATOM 261 OD2 ASP A 163 -8.974 -3.285 -7.428 1.00 0.00 O ATOM 0 H ASP A 163 -5.550 -1.712 -6.637 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.528 0.292 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.495 -2.526 -5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.918 -1.531 -5.521 1.00 0.00 H new ATOM 267 N TYR A 164 -5.971 -0.704 -3.707 1.00 0.00 N ATOM 268 CA TYR A 164 -5.741 -0.420 -2.300 1.00 0.00 C ATOM 269 C TYR A 164 -5.278 1.025 -2.099 1.00 0.00 C ATOM 270 O TYR A 164 -5.698 1.689 -1.153 1.00 0.00 O ATOM 271 CB TYR A 164 -4.623 -1.368 -1.857 1.00 0.00 C ATOM 272 CG TYR A 164 -4.078 -1.075 -0.459 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.936 -0.685 0.550 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.728 -1.201 -0.203 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.423 -0.410 1.866 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.214 -0.926 1.112 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.087 -0.545 2.084 1.00 0.00 C ATOM 278 OH TYR A 164 -2.602 -0.284 3.327 1.00 0.00 O ATOM 0 H TYR A 164 -5.332 -1.386 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.658 -0.556 -1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.997 -2.392 -1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.805 -1.309 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.993 -0.586 0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.056 -1.507 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.084 -0.103 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.159 -1.020 1.323 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.635 -0.136 3.276 1.00 0.00 H new ATOM 288 N VAL A 165 -4.419 1.468 -3.005 1.00 0.00 N ATOM 289 CA VAL A 165 -3.895 2.822 -2.940 1.00 0.00 C ATOM 290 C VAL A 165 -5.013 3.814 -3.269 1.00 0.00 C ATOM 291 O VAL A 165 -5.124 4.862 -2.634 1.00 0.00 O ATOM 292 CB VAL A 165 -2.683 2.959 -3.865 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.381 4.430 -4.156 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.461 2.255 -3.274 1.00 0.00 C ATOM 0 H VAL A 165 -4.073 0.914 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.546 3.048 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.925 2.473 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.516 4.500 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.243 4.890 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.168 4.950 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.614 2.367 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.216 2.699 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.681 1.196 -3.140 1.00 0.00 H new ATOM 304 N ASP A 166 -5.813 3.447 -4.259 1.00 0.00 N ATOM 305 CA ASP A 166 -6.919 4.291 -4.679 1.00 0.00 C ATOM 306 C ASP A 166 -7.845 4.542 -3.488 1.00 0.00 C ATOM 307 O ASP A 166 -8.256 5.675 -3.243 1.00 0.00 O ATOM 308 CB ASP A 166 -7.738 3.619 -5.782 1.00 0.00 C ATOM 309 CG ASP A 166 -7.211 3.836 -7.202 1.00 0.00 C ATOM 310 OD1 ASP A 166 -6.858 4.960 -7.588 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.169 2.776 -7.938 1.00 0.00 O ATOM 0 H ASP A 166 -5.718 2.577 -4.783 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.504 5.225 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.776 2.548 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.762 3.989 -5.730 1.00 0.00 H new ATOM 317 N ARG A 167 -8.148 3.463 -2.780 1.00 0.00 N ATOM 318 CA ARG A 167 -9.019 3.552 -1.619 1.00 0.00 C ATOM 319 C ARG A 167 -8.362 4.395 -0.526 1.00 0.00 C ATOM 320 O ARG A 167 -9.019 5.226 0.102 1.00 0.00 O ATOM 321 CB ARG A 167 -9.335 2.162 -1.062 1.00 0.00 C ATOM 322 CG ARG A 167 -10.833 2.011 -0.785 1.00 0.00 C ATOM 323 CD ARG A 167 -11.444 0.914 -1.660 1.00 0.00 C ATOM 324 NE ARG A 167 -11.417 -0.380 -0.942 1.00 0.00 N ATOM 325 CZ ARG A 167 -11.855 -1.545 -1.466 1.00 0.00 C ATOM 326 NH1 ARG A 167 -12.359 -1.587 -2.718 1.00 0.00 N ATOM 327 NH2 ARG A 167 -11.786 -2.641 -0.734 1.00 0.00 N ATOM 0 H ARG A 167 -7.807 2.524 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.949 4.025 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -9.014 1.400 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.773 1.998 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.990 1.772 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.339 2.957 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -12.470 1.174 -1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.890 0.832 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.044 -0.393 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -12.411 -0.735 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -12.688 -2.471 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -11.406 -2.600 0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -12.112 -3.529 -1.114 1.00 0.00 H new ATOM 341 N PHE A 168 -7.075 4.153 -0.328 1.00 0.00 N ATOM 342 CA PHE A 168 -6.322 4.882 0.680 1.00 0.00 C ATOM 343 C PHE A 168 -6.362 6.387 0.414 1.00 0.00 C ATOM 344 O PHE A 168 -6.605 7.176 1.325 1.00 0.00 O ATOM 345 CB PHE A 168 -4.873 4.397 0.592 1.00 0.00 C ATOM 346 CG PHE A 168 -3.960 4.969 1.677 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.340 6.164 1.486 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.766 4.279 2.835 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.492 6.694 2.495 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.918 4.809 3.842 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.299 6.005 3.651 1.00 0.00 C ATOM 0 H PHE A 168 -6.534 3.462 -0.848 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.751 4.705 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.860 3.309 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.470 4.663 -0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.492 6.710 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.257 3.329 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.001 7.644 2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.764 4.262 4.761 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.654 6.407 4.418 1.00 0.00 H new ATOM 361 N TYR A 169 -6.120 6.740 -0.841 1.00 0.00 N ATOM 362 CA TYR A 169 -6.125 8.137 -1.238 1.00 0.00 C ATOM 363 C TYR A 169 -7.554 8.675 -1.335 1.00 0.00 C ATOM 364 O TYR A 169 -7.773 9.883 -1.267 1.00 0.00 O ATOM 365 CB TYR A 169 -5.481 8.184 -2.626 1.00 0.00 C ATOM 366 CG TYR A 169 -3.953 8.101 -2.606 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.324 7.097 -1.897 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.204 9.032 -3.296 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.887 7.021 -1.879 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.765 8.955 -3.277 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.178 7.952 -2.570 1.00 0.00 C ATOM 372 OH TYR A 169 0.179 7.879 -2.552 1.00 0.00 O ATOM 0 H TYR A 169 -5.920 6.083 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.591 8.745 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.872 7.361 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.778 9.108 -3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.910 6.369 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.696 9.818 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.383 6.241 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.166 9.677 -3.812 1.00 0.00 H new ATOM 0 HH TYR A 169 0.553 8.608 -3.090 1.00 0.00 H new ATOM 382 N LYS A 170 -8.490 7.751 -1.491 1.00 0.00 N ATOM 383 CA LYS A 170 -9.893 8.116 -1.598 1.00 0.00 C ATOM 384 C LYS A 170 -10.406 8.557 -0.226 1.00 0.00 C ATOM 385 O LYS A 170 -11.115 9.555 -0.115 1.00 0.00 O ATOM 386 CB LYS A 170 -10.699 6.974 -2.219 1.00 0.00 C ATOM 387 CG LYS A 170 -10.697 7.068 -3.746 1.00 0.00 C ATOM 388 CD LYS A 170 -10.829 5.682 -4.380 1.00 0.00 C ATOM 389 CE LYS A 170 -12.191 5.515 -5.055 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.099 4.561 -6.182 1.00 0.00 N ATOM 0 H LYS A 170 -8.305 6.749 -1.546 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.016 8.964 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.278 6.017 -1.910 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.724 7.006 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.519 7.703 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.774 7.540 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.036 5.537 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.701 4.915 -3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.922 5.159 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.545 6.481 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.033 4.460 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.417 4.916 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -11.782 3.636 -5.829 1.00 0.00 H new ATOM 404 N THR A 171 -10.028 7.789 0.786 1.00 0.00 N ATOM 405 CA THR A 171 -10.441 8.086 2.147 1.00 0.00 C ATOM 406 C THR A 171 -9.672 9.294 2.686 1.00 0.00 C ATOM 407 O THR A 171 -10.243 10.146 3.366 1.00 0.00 O ATOM 408 CB THR A 171 -10.251 6.822 2.987 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.066 5.849 2.339 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.861 6.950 4.385 1.00 0.00 C ATOM 0 H THR A 171 -9.440 6.961 0.690 1.00 0.00 H new ATOM 0 HA THR A 171 -11.494 8.365 2.188 1.00 0.00 H new ATOM 0 HB THR A 171 -9.187 6.601 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.575 5.461 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.698 6.026 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.389 7.778 4.914 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.931 7.138 4.299 1.00 0.00 H new ATOM 418 N LEU A 172 -8.388 9.332 2.361 1.00 0.00 N ATOM 419 CA LEU A 172 -7.535 10.421 2.803 1.00 0.00 C ATOM 420 C LEU A 172 -8.112 11.749 2.308 1.00 0.00 C ATOM 421 O LEU A 172 -8.181 12.719 3.061 1.00 0.00 O ATOM 422 CB LEU A 172 -6.088 10.180 2.367 1.00 0.00 C ATOM 423 CG LEU A 172 -5.568 11.074 1.241 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.270 12.485 1.753 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.354 10.446 0.556 1.00 0.00 C ATOM 0 H LEU A 172 -7.918 8.625 1.796 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.512 10.468 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.442 10.310 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.993 9.141 2.052 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.352 11.163 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -4.902 13.100 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.182 12.926 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.514 12.436 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.005 11.103 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.557 10.306 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.633 9.481 0.134 1.00 0.00 H new ATOM 437 N ARG A 173 -8.514 11.749 1.046 1.00 0.00 N ATOM 438 CA ARG A 173 -9.084 12.941 0.441 1.00 0.00 C ATOM 439 C ARG A 173 -10.479 13.209 1.010 1.00 0.00 C ATOM 440 O ARG A 173 -11.089 14.235 0.710 1.00 0.00 O ATOM 441 CB ARG A 173 -9.179 12.797 -1.079 1.00 0.00 C ATOM 442 CG ARG A 173 -8.067 13.584 -1.775 1.00 0.00 C ATOM 443 CD ARG A 173 -7.481 12.788 -2.944 1.00 0.00 C ATOM 444 NE ARG A 173 -7.732 13.499 -4.216 1.00 0.00 N ATOM 445 CZ ARG A 173 -8.954 13.651 -4.770 1.00 0.00 C ATOM 446 NH1 ARG A 173 -10.049 13.143 -4.165 1.00 0.00 N ATOM 447 NH2 ARG A 173 -9.062 14.304 -5.912 1.00 0.00 N ATOM 0 H ARG A 173 -8.456 10.942 0.425 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.426 13.778 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.111 11.744 -1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.151 13.153 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.461 14.533 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.279 13.818 -1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.409 12.650 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.928 11.795 -2.979 1.00 0.00 H new ATOM 0 HE ARG A 173 -6.932 13.900 -4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -9.957 12.640 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -10.968 13.262 -4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -8.230 14.685 -6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -9.978 14.428 -6.344 1.00 0.00 H new ATOM 461 N ALA A 174 -10.943 12.271 1.821 1.00 0.00 N ATOM 462 CA ALA A 174 -12.254 12.392 2.433 1.00 0.00 C ATOM 463 C ALA A 174 -12.105 12.989 3.834 1.00 0.00 C ATOM 464 O ALA A 174 -13.039 13.591 4.360 1.00 0.00 O ATOM 465 CB ALA A 174 -12.939 11.024 2.453 1.00 0.00 C ATOM 0 H ALA A 174 -10.434 11.423 2.069 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.886 13.064 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.923 11.116 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.048 10.657 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.334 10.323 3.028 1.00 0.00 H new ATOM 630 N THR A 186 1.418 9.089 5.693 1.00 0.00 N ATOM 631 CA THR A 186 0.622 8.517 4.621 1.00 0.00 C ATOM 632 C THR A 186 1.172 7.147 4.219 1.00 0.00 C ATOM 633 O THR A 186 0.636 6.116 4.622 1.00 0.00 O ATOM 634 CB THR A 186 0.591 9.520 3.466 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.655 10.195 3.626 1.00 0.00 O ATOM 636 CG2 THR A 186 0.474 8.840 2.101 1.00 0.00 C ATOM 0 HA THR A 186 -0.404 8.339 4.944 1.00 0.00 H new ATOM 0 HB THR A 186 1.495 10.129 3.491 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.757 10.866 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.456 9.598 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.328 8.180 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.446 8.257 2.063 1.00 0.00 H new ATOM 644 N GLU A 187 2.237 7.180 3.429 1.00 0.00 N ATOM 645 CA GLU A 187 2.866 5.954 2.969 1.00 0.00 C ATOM 646 C GLU A 187 3.078 4.994 4.141 1.00 0.00 C ATOM 647 O GLU A 187 3.059 3.777 3.963 1.00 0.00 O ATOM 648 CB GLU A 187 4.187 6.249 2.257 1.00 0.00 C ATOM 649 CG GLU A 187 5.242 6.754 3.244 1.00 0.00 C ATOM 650 CD GLU A 187 5.863 8.065 2.761 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.480 9.145 3.234 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.779 7.935 1.861 1.00 0.00 O ATOM 0 H GLU A 187 2.679 8.037 3.097 1.00 0.00 H new ATOM 0 HA GLU A 187 2.202 5.476 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.548 5.346 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.026 6.995 1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.787 6.902 4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.021 6.002 3.365 1.00 0.00 H new ATOM 660 N THR A 188 3.275 5.577 5.315 1.00 0.00 N ATOM 661 CA THR A 188 3.491 4.788 6.515 1.00 0.00 C ATOM 662 C THR A 188 2.194 4.093 6.936 1.00 0.00 C ATOM 663 O THR A 188 2.223 2.976 7.451 1.00 0.00 O ATOM 664 CB THR A 188 4.060 5.713 7.592 1.00 0.00 C ATOM 665 OG1 THR A 188 5.288 5.093 7.969 1.00 0.00 O ATOM 666 CG2 THR A 188 3.228 5.701 8.876 1.00 0.00 C ATOM 0 H THR A 188 3.289 6.587 5.460 1.00 0.00 H new ATOM 0 HA THR A 188 4.210 3.988 6.339 1.00 0.00 H new ATOM 0 HB THR A 188 4.113 6.730 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.725 5.629 8.664 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.676 6.374 9.606 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.213 6.030 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.201 4.690 9.283 1.00 0.00 H new ATOM 674 N LEU A 189 1.087 4.782 6.701 1.00 0.00 N ATOM 675 CA LEU A 189 -0.217 4.245 7.050 1.00 0.00 C ATOM 676 C LEU A 189 -0.585 3.134 6.064 1.00 0.00 C ATOM 677 O LEU A 189 -1.036 2.063 6.471 1.00 0.00 O ATOM 678 CB LEU A 189 -1.255 5.365 7.128 1.00 0.00 C ATOM 679 CG LEU A 189 -1.723 5.748 8.533 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.538 5.874 9.491 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.572 7.022 8.500 1.00 0.00 C ATOM 0 H LEU A 189 1.066 5.708 6.273 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.191 3.797 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.840 6.252 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.126 5.067 6.545 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.358 4.947 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -0.899 6.147 10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.012 4.921 9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.143 6.644 9.128 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.892 7.272 9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.981 7.842 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.448 6.859 7.872 1.00 0.00 H new ATOM 693 N LEU A 190 -0.380 3.425 4.788 1.00 0.00 N ATOM 694 CA LEU A 190 -0.685 2.464 3.743 1.00 0.00 C ATOM 695 C LEU A 190 0.153 1.202 3.956 1.00 0.00 C ATOM 696 O LEU A 190 -0.355 0.087 3.842 1.00 0.00 O ATOM 697 CB LEU A 190 -0.502 3.098 2.362 1.00 0.00 C ATOM 698 CG LEU A 190 -0.630 2.152 1.167 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.900 2.448 0.368 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.622 2.202 0.290 1.00 0.00 C ATOM 0 H LEU A 190 -0.006 4.313 4.454 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.732 2.164 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.237 3.895 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.482 3.565 2.326 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.717 1.134 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.967 1.762 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.772 2.320 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.868 3.473 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.504 1.520 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.765 3.216 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.490 1.905 0.878 1.00 0.00 H new ATOM 712 N VAL A 191 1.424 1.419 4.261 1.00 0.00 N ATOM 713 CA VAL A 191 2.337 0.312 4.491 1.00 0.00 C ATOM 714 C VAL A 191 1.948 -0.404 5.786 1.00 0.00 C ATOM 715 O VAL A 191 1.889 -1.633 5.825 1.00 0.00 O ATOM 716 CB VAL A 191 3.782 0.819 4.500 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.759 -0.319 4.800 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.128 1.507 3.178 1.00 0.00 C ATOM 0 H VAL A 191 1.843 2.344 4.354 1.00 0.00 H new ATOM 0 HA VAL A 191 2.266 -0.416 3.683 1.00 0.00 H new ATOM 0 HB VAL A 191 3.875 1.558 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.778 0.067 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.532 -0.745 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.664 -1.091 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.159 1.858 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.011 0.799 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.461 2.355 3.024 1.00 0.00 H new ATOM 728 N GLN A 192 1.690 0.393 6.812 1.00 0.00 N ATOM 729 CA GLN A 192 1.307 -0.150 8.104 1.00 0.00 C ATOM 730 C GLN A 192 -0.047 -0.855 8.004 1.00 0.00 C ATOM 731 O GLN A 192 -0.259 -1.892 8.629 1.00 0.00 O ATOM 732 CB GLN A 192 1.279 0.945 9.172 1.00 0.00 C ATOM 733 CG GLN A 192 2.694 1.283 9.649 1.00 0.00 C ATOM 734 CD GLN A 192 2.997 0.605 10.987 1.00 0.00 C ATOM 735 OE1 GLN A 192 3.909 -0.196 11.113 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.186 0.970 11.975 1.00 0.00 N ATOM 0 H GLN A 192 1.739 1.411 6.775 1.00 0.00 H new ATOM 0 HA GLN A 192 2.054 -0.885 8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.804 1.839 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.675 0.617 10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 192 3.420 0.962 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.799 2.363 9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 192 1.442 1.646 11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.308 0.574 12.907 1.00 0.00 H new ATOM 745 N ASN A 193 -0.930 -0.260 7.214 1.00 0.00 N ATOM 746 CA ASN A 193 -2.258 -0.817 7.024 1.00 0.00 C ATOM 747 C ASN A 193 -2.227 -1.815 5.863 1.00 0.00 C ATOM 748 O ASN A 193 -3.274 -2.273 5.408 1.00 0.00 O ATOM 749 CB ASN A 193 -3.270 0.278 6.679 1.00 0.00 C ATOM 750 CG ASN A 193 -4.704 -0.219 6.879 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.340 0.359 7.894 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.198 -1.070 6.159 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.751 0.602 6.699 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.556 -1.304 7.953 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.093 1.152 7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.131 0.594 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.653 -1.472 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.157 -1.379 6.319 1.00 0.00 H new ATOM 759 N ALA A 194 -1.016 -2.120 5.420 1.00 0.00 N ATOM 760 CA ALA A 194 -0.837 -3.054 4.322 1.00 0.00 C ATOM 761 C ALA A 194 -0.608 -4.458 4.885 1.00 0.00 C ATOM 762 O ALA A 194 -0.204 -4.611 6.037 1.00 0.00 O ATOM 763 CB ALA A 194 0.321 -2.585 3.438 1.00 0.00 C ATOM 0 H ALA A 194 -0.151 -1.737 5.801 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.730 -3.090 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.456 -3.285 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.097 -1.595 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.235 -2.540 4.030 1.00 0.00 H new ATOM 769 N ASN A 195 -0.879 -5.448 4.046 1.00 0.00 N ATOM 770 CA ASN A 195 -0.708 -6.834 4.446 1.00 0.00 C ATOM 771 C ASN A 195 0.687 -7.020 5.047 1.00 0.00 C ATOM 772 O ASN A 195 1.485 -6.085 5.072 1.00 0.00 O ATOM 773 CB ASN A 195 -0.835 -7.773 3.244 1.00 0.00 C ATOM 774 CG ASN A 195 -2.011 -8.735 3.421 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.868 -8.559 4.273 1.00 0.00 O ATOM 776 ND2 ASN A 195 -2.006 -9.757 2.571 1.00 0.00 N ATOM 0 H ASN A 195 -1.215 -5.317 3.092 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.483 -7.073 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.973 -7.188 2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.088 -8.340 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.750 -10.454 2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -1.258 -9.844 1.883 1.00 0.00 H new ATOM 783 N PRO A 196 0.944 -8.266 5.528 1.00 0.00 N ATOM 784 CA PRO A 196 2.228 -8.585 6.127 1.00 0.00 C ATOM 785 C PRO A 196 3.310 -8.738 5.056 1.00 0.00 C ATOM 786 O PRO A 196 4.369 -8.118 5.144 1.00 0.00 O ATOM 787 CB PRO A 196 1.988 -9.864 6.914 1.00 0.00 C ATOM 788 CG PRO A 196 0.709 -10.464 6.355 1.00 0.00 C ATOM 789 CD PRO A 196 0.023 -9.397 5.515 1.00 0.00 C ATOM 0 HA PRO A 196 2.595 -7.793 6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.824 -10.554 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.888 -9.654 7.979 1.00 0.00 H new ATOM 0 HG2 PRO A 196 0.932 -11.342 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.056 -10.792 7.164 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.158 -9.749 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.945 -9.124 5.935 1.00 0.00 H new ATOM 797 N ASP A 197 3.007 -9.568 4.068 1.00 0.00 N ATOM 798 CA ASP A 197 3.942 -9.810 2.981 1.00 0.00 C ATOM 799 C ASP A 197 4.407 -8.471 2.408 1.00 0.00 C ATOM 800 O ASP A 197 5.606 -8.207 2.335 1.00 0.00 O ATOM 801 CB ASP A 197 3.278 -10.602 1.853 1.00 0.00 C ATOM 802 CG ASP A 197 3.795 -12.032 1.676 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.009 -12.281 1.705 1.00 0.00 O ATOM 804 OD2 ASP A 197 2.880 -12.925 1.503 1.00 0.00 O ATOM 0 H ASP A 197 2.128 -10.081 3.997 1.00 0.00 H new ATOM 0 HA ASP A 197 4.782 -10.380 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.205 -10.640 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.420 -10.062 0.917 1.00 0.00 H new ATOM 810 N CYS A 198 3.434 -7.660 2.015 1.00 0.00 N ATOM 811 CA CYS A 198 3.731 -6.355 1.450 1.00 0.00 C ATOM 812 C CYS A 198 4.607 -5.589 2.445 1.00 0.00 C ATOM 813 O CYS A 198 5.541 -4.897 2.046 1.00 0.00 O ATOM 814 CB CYS A 198 2.455 -5.586 1.103 1.00 0.00 C ATOM 815 SG CYS A 198 2.865 -4.111 0.101 1.00 0.00 S ATOM 0 H CYS A 198 2.440 -7.882 2.077 1.00 0.00 H new ATOM 0 HA CYS A 198 4.271 -6.476 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.770 -6.231 0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 198 1.943 -5.284 2.017 1.00 0.00 H new ATOM 0 HG CYS A 198 2.288 -4.202 -1.061 1.00 0.00 H new ATOM 821 N LYS A 199 4.273 -5.740 3.717 1.00 0.00 N ATOM 822 CA LYS A 199 5.017 -5.071 4.771 1.00 0.00 C ATOM 823 C LYS A 199 6.484 -5.500 4.704 1.00 0.00 C ATOM 824 O LYS A 199 7.382 -4.663 4.760 1.00 0.00 O ATOM 825 CB LYS A 199 4.364 -5.323 6.131 1.00 0.00 C ATOM 826 CG LYS A 199 4.894 -4.346 7.182 1.00 0.00 C ATOM 827 CD LYS A 199 5.915 -5.025 8.096 1.00 0.00 C ATOM 828 CE LYS A 199 5.418 -5.061 9.544 1.00 0.00 C ATOM 829 NZ LYS A 199 5.683 -6.384 10.150 1.00 0.00 N ATOM 0 H LYS A 199 3.497 -6.316 4.043 1.00 0.00 H new ATOM 0 HA LYS A 199 4.993 -3.991 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.283 -5.218 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.561 -6.347 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.355 -3.490 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 199 4.066 -3.963 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 199 6.102 -6.040 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 199 6.864 -4.491 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.914 -4.283 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.349 -4.849 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 5.340 -6.391 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 5.190 -7.120 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 6.706 -6.572 10.139 1.00 0.00 H new ATOM 843 N THR A 200 6.682 -6.806 4.583 1.00 0.00 N ATOM 844 CA THR A 200 8.024 -7.356 4.508 1.00 0.00 C ATOM 845 C THR A 200 8.754 -6.815 3.277 1.00 0.00 C ATOM 846 O THR A 200 9.937 -6.488 3.346 1.00 0.00 O ATOM 847 CB THR A 200 7.910 -8.881 4.528 1.00 0.00 C ATOM 848 OG1 THR A 200 7.259 -9.167 5.762 1.00 0.00 O ATOM 849 CG2 THR A 200 9.272 -9.568 4.659 1.00 0.00 C ATOM 0 H THR A 200 5.934 -7.498 4.535 1.00 0.00 H new ATOM 0 HA THR A 200 8.627 -7.050 5.363 1.00 0.00 H new ATOM 0 HB THR A 200 7.418 -9.219 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.144 -10.136 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.135 -10.649 4.668 1.00 0.00 H new ATOM 0 HG22 THR A 200 9.903 -9.290 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.750 -9.255 5.587 1.00 0.00 H new ATOM 857 N ILE A 201 8.018 -6.740 2.178 1.00 0.00 N ATOM 858 CA ILE A 201 8.579 -6.245 0.933 1.00 0.00 C ATOM 859 C ILE A 201 8.978 -4.779 1.106 1.00 0.00 C ATOM 860 O ILE A 201 10.059 -4.372 0.683 1.00 0.00 O ATOM 861 CB ILE A 201 7.610 -6.486 -0.226 1.00 0.00 C ATOM 862 CG1 ILE A 201 6.898 -7.833 -0.073 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.325 -6.366 -1.573 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.924 -8.618 -1.387 1.00 0.00 C ATOM 0 H ILE A 201 7.037 -7.014 2.124 1.00 0.00 H new ATOM 0 HA ILE A 201 9.485 -6.795 0.679 1.00 0.00 H new ATOM 0 HB ILE A 201 6.844 -5.711 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.379 -8.416 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 201 5.866 -7.670 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.613 -6.542 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.747 -5.366 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.125 -7.105 -1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.412 -9.571 -1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.421 -8.043 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.957 -8.800 -1.682 1.00 0.00 H new ATOM 876 N LEU A 202 8.084 -4.025 1.727 1.00 0.00 N ATOM 877 CA LEU A 202 8.330 -2.612 1.962 1.00 0.00 C ATOM 878 C LEU A 202 9.455 -2.456 2.985 1.00 0.00 C ATOM 879 O LEU A 202 10.117 -1.420 3.033 1.00 0.00 O ATOM 880 CB LEU A 202 7.033 -1.902 2.361 1.00 0.00 C ATOM 881 CG LEU A 202 6.180 -1.366 1.210 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.712 -1.752 1.388 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.360 0.146 1.052 1.00 0.00 C ATOM 0 H LEU A 202 7.188 -4.365 2.075 1.00 0.00 H new ATOM 0 HA LEU A 202 8.664 -2.127 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.427 -2.596 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.285 -1.070 3.018 1.00 0.00 H new ATOM 0 HG LEU A 202 6.524 -1.830 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 202 4.129 -1.358 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.622 -2.838 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.337 -1.336 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.743 0.502 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.059 0.646 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.407 0.368 0.844 1.00 0.00 H new ATOM 895 N LYS A 203 9.639 -3.501 3.779 1.00 0.00 N ATOM 896 CA LYS A 203 10.673 -3.494 4.798 1.00 0.00 C ATOM 897 C LYS A 203 12.042 -3.644 4.131 1.00 0.00 C ATOM 898 O LYS A 203 12.946 -2.847 4.374 1.00 0.00 O ATOM 899 CB LYS A 203 10.387 -4.558 5.860 1.00 0.00 C ATOM 900 CG LYS A 203 9.789 -3.929 7.120 1.00 0.00 C ATOM 901 CD LYS A 203 9.513 -4.991 8.186 1.00 0.00 C ATOM 902 CE LYS A 203 9.186 -4.345 9.533 1.00 0.00 C ATOM 903 NZ LYS A 203 10.392 -4.300 10.392 1.00 0.00 N ATOM 0 H LYS A 203 9.088 -4.359 3.736 1.00 0.00 H new ATOM 0 HA LYS A 203 10.678 -2.541 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 203 9.698 -5.302 5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.309 -5.081 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.474 -3.180 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 203 8.863 -3.412 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.682 -5.621 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.383 -5.640 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 203 8.806 -3.336 9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.398 -4.909 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.153 -3.859 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.738 -5.267 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.133 -3.743 9.921 1.00 0.00 H new ATOM 917 N ALA A 204 12.152 -4.671 3.302 1.00 0.00 N ATOM 918 CA ALA A 204 13.395 -4.936 2.598 1.00 0.00 C ATOM 919 C ALA A 204 13.593 -3.881 1.507 1.00 0.00 C ATOM 920 O ALA A 204 14.703 -3.699 1.011 1.00 0.00 O ATOM 921 CB ALA A 204 13.369 -6.359 2.035 1.00 0.00 C ATOM 0 H ALA A 204 11.400 -5.330 3.102 1.00 0.00 H new ATOM 0 HA ALA A 204 14.244 -4.870 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.301 -6.558 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.255 -7.072 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.532 -6.462 1.345 1.00 0.00 H new ATOM 927 N LEU A 205 12.499 -3.215 1.169 1.00 0.00 N ATOM 928 CA LEU A 205 12.539 -2.182 0.148 1.00 0.00 C ATOM 929 C LEU A 205 13.068 -0.883 0.761 1.00 0.00 C ATOM 930 O LEU A 205 14.166 -0.439 0.430 1.00 0.00 O ATOM 931 CB LEU A 205 11.170 -2.035 -0.518 1.00 0.00 C ATOM 932 CG LEU A 205 10.840 -0.647 -1.073 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.263 -0.744 -2.486 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.911 0.115 -0.125 1.00 0.00 C ATOM 0 H LEU A 205 11.580 -3.370 1.584 1.00 0.00 H new ATOM 0 HA LEU A 205 13.228 -2.461 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 205 11.105 -2.755 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.404 -2.306 0.208 1.00 0.00 H new ATOM 0 HG LEU A 205 11.767 -0.078 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.037 0.256 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.990 -1.219 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.349 -1.338 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.692 1.098 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.982 -0.442 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.396 0.232 0.844 1.00 0.00 H new ATOM 946 N GLY A 206 12.262 -0.312 1.643 1.00 0.00 N ATOM 947 CA GLY A 206 12.634 0.927 2.305 1.00 0.00 C ATOM 948 C GLY A 206 11.406 1.626 2.892 1.00 0.00 C ATOM 949 O GLY A 206 10.385 1.760 2.220 1.00 0.00 O ATOM 0 H GLY A 206 11.352 -0.684 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.352 0.718 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.128 1.589 1.594 1.00 0.00 H new ATOM 953 N PRO A 207 11.549 2.063 4.171 1.00 0.00 N ATOM 954 CA PRO A 207 10.464 2.746 4.856 1.00 0.00 C ATOM 955 C PRO A 207 10.311 4.180 4.346 1.00 0.00 C ATOM 956 O PRO A 207 10.362 5.129 5.126 1.00 0.00 O ATOM 957 CB PRO A 207 10.824 2.675 6.331 1.00 0.00 C ATOM 958 CG PRO A 207 12.311 2.370 6.384 1.00 0.00 C ATOM 959 CD PRO A 207 12.745 1.921 4.997 1.00 0.00 C ATOM 0 HA PRO A 207 9.494 2.284 4.674 1.00 0.00 H new ATOM 0 HB2 PRO A 207 10.601 3.616 6.833 1.00 0.00 H new ATOM 0 HB3 PRO A 207 10.248 1.900 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 207 12.871 3.253 6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 207 12.515 1.591 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 207 13.562 2.535 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 207 13.099 0.890 5.007 1.00 0.00 H new ATOM 967 N GLY A 208 10.124 4.292 3.039 1.00 0.00 N ATOM 968 CA GLY A 208 9.962 5.594 2.415 1.00 0.00 C ATOM 969 C GLY A 208 9.981 5.478 0.890 1.00 0.00 C ATOM 970 O GLY A 208 10.540 6.336 0.205 1.00 0.00 O ATOM 0 H GLY A 208 10.081 3.502 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.022 6.041 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.760 6.260 2.742 1.00 0.00 H new ATOM 974 N ALA A 209 9.366 4.411 0.401 1.00 0.00 N ATOM 975 CA ALA A 209 9.306 4.173 -1.031 1.00 0.00 C ATOM 976 C ALA A 209 8.182 5.015 -1.637 1.00 0.00 C ATOM 977 O ALA A 209 7.276 5.450 -0.929 1.00 0.00 O ATOM 978 CB ALA A 209 9.117 2.677 -1.290 1.00 0.00 C ATOM 0 H ALA A 209 8.905 3.702 0.971 1.00 0.00 H new ATOM 0 HA ALA A 209 10.238 4.473 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.072 2.497 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 209 9.955 2.125 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.189 2.342 -0.826 1.00 0.00 H new ATOM 984 N THR A 210 8.279 5.221 -2.943 1.00 0.00 N ATOM 985 CA THR A 210 7.282 6.004 -3.652 1.00 0.00 C ATOM 986 C THR A 210 6.157 5.100 -4.160 1.00 0.00 C ATOM 987 O THR A 210 6.357 3.902 -4.354 1.00 0.00 O ATOM 988 CB THR A 210 7.992 6.775 -4.767 1.00 0.00 C ATOM 989 OG1 THR A 210 6.954 7.530 -5.384 1.00 0.00 O ATOM 990 CG2 THR A 210 8.499 5.858 -5.882 1.00 0.00 C ATOM 0 H THR A 210 9.032 4.859 -3.528 1.00 0.00 H new ATOM 0 HA THR A 210 6.803 6.727 -2.991 1.00 0.00 H new ATOM 0 HB THR A 210 8.829 7.332 -4.346 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.328 8.061 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.994 6.455 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.206 5.139 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.658 5.325 -6.326 1.00 0.00 H new ATOM 998 N LEU A 211 4.996 5.710 -4.363 1.00 0.00 N ATOM 999 CA LEU A 211 3.840 4.975 -4.843 1.00 0.00 C ATOM 1000 C LEU A 211 4.280 3.994 -5.931 1.00 0.00 C ATOM 1001 O LEU A 211 3.724 2.903 -6.051 1.00 0.00 O ATOM 1002 CB LEU A 211 2.742 5.940 -5.295 1.00 0.00 C ATOM 1003 CG LEU A 211 1.427 5.300 -5.742 1.00 0.00 C ATOM 1004 CD1 LEU A 211 0.229 6.146 -5.311 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.432 5.038 -7.250 1.00 0.00 C ATOM 0 H LEU A 211 4.833 6.704 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 211 3.403 4.384 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 211 2.529 6.626 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.130 6.539 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 211 1.331 4.334 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.693 5.667 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.220 6.238 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.304 7.137 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.486 4.583 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.562 5.980 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 211 2.252 4.364 -7.500 1.00 0.00 H new ATOM 1017 N GLU A 212 5.275 4.416 -6.697 1.00 0.00 N ATOM 1018 CA GLU A 212 5.797 3.589 -7.772 1.00 0.00 C ATOM 1019 C GLU A 212 6.609 2.425 -7.198 1.00 0.00 C ATOM 1020 O GLU A 212 6.436 1.279 -7.613 1.00 0.00 O ATOM 1021 CB GLU A 212 6.639 4.418 -8.743 1.00 0.00 C ATOM 1022 CG GLU A 212 6.664 3.776 -10.132 1.00 0.00 C ATOM 1023 CD GLU A 212 5.878 4.618 -11.140 1.00 0.00 C ATOM 1024 OE1 GLU A 212 4.747 4.259 -11.498 1.00 0.00 O ATOM 1025 OE2 GLU A 212 6.483 5.680 -11.552 1.00 0.00 O ATOM 0 H GLU A 212 5.734 5.321 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 212 4.956 3.180 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.233 5.427 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.656 4.509 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.695 3.669 -10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.239 2.773 -10.081 1.00 0.00 H new ATOM 1033 N GLU A 213 7.477 2.759 -6.255 1.00 0.00 N ATOM 1034 CA GLU A 213 8.316 1.755 -5.621 1.00 0.00 C ATOM 1035 C GLU A 213 7.471 0.846 -4.726 1.00 0.00 C ATOM 1036 O GLU A 213 7.723 -0.355 -4.644 1.00 0.00 O ATOM 1037 CB GLU A 213 9.447 2.411 -4.825 1.00 0.00 C ATOM 1038 CG GLU A 213 10.523 1.386 -4.459 1.00 0.00 C ATOM 1039 CD GLU A 213 11.777 1.579 -5.316 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.698 1.521 -6.552 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.862 1.796 -4.653 1.00 0.00 O ATOM 0 H GLU A 213 7.618 3.710 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 213 8.771 1.143 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.890 3.216 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.045 2.862 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.780 1.484 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.133 0.378 -4.600 1.00 0.00 H new ATOM 1049 N MET A 214 6.488 1.454 -4.079 1.00 0.00 N ATOM 1050 CA MET A 214 5.605 0.714 -3.194 1.00 0.00 C ATOM 1051 C MET A 214 4.787 -0.319 -3.973 1.00 0.00 C ATOM 1052 O MET A 214 4.692 -1.475 -3.565 1.00 0.00 O ATOM 1053 CB MET A 214 4.658 1.686 -2.487 1.00 0.00 C ATOM 1054 CG MET A 214 5.442 2.766 -1.739 1.00 0.00 C ATOM 1055 SD MET A 214 4.638 3.138 -0.187 1.00 0.00 S ATOM 1056 CE MET A 214 3.640 4.533 -0.683 1.00 0.00 C ATOM 0 H MET A 214 6.283 2.451 -4.150 1.00 0.00 H new ATOM 0 HA MET A 214 6.215 0.188 -2.460 1.00 0.00 H new ATOM 0 HB2 MET A 214 3.997 2.152 -3.218 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.026 1.140 -1.787 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.462 2.427 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.509 3.667 -2.349 1.00 0.00 H new ATOM 0 HE1 MET A 214 2.952 4.793 0.122 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.286 5.384 -0.898 1.00 0.00 H new ATOM 0 HE3 MET A 214 3.072 4.274 -1.576 1.00 0.00 H new ATOM 1066 N MET A 215 4.220 0.136 -5.080 1.00 0.00 N ATOM 1067 CA MET A 215 3.414 -0.734 -5.920 1.00 0.00 C ATOM 1068 C MET A 215 4.285 -1.772 -6.630 1.00 0.00 C ATOM 1069 O MET A 215 3.830 -2.877 -6.919 1.00 0.00 O ATOM 1070 CB MET A 215 2.670 0.105 -6.959 1.00 0.00 C ATOM 1071 CG MET A 215 3.634 0.654 -8.013 1.00 0.00 C ATOM 1072 SD MET A 215 2.717 1.330 -9.386 1.00 0.00 S ATOM 1073 CE MET A 215 3.592 0.572 -10.747 1.00 0.00 C ATOM 0 H MET A 215 4.302 1.096 -5.415 1.00 0.00 H new ATOM 0 HA MET A 215 2.700 -1.259 -5.286 1.00 0.00 H new ATOM 0 HB2 MET A 215 1.905 -0.503 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 215 2.157 0.930 -6.465 1.00 0.00 H new ATOM 0 HG2 MET A 215 4.266 1.425 -7.573 1.00 0.00 H new ATOM 0 HG3 MET A 215 4.295 -0.140 -8.362 1.00 0.00 H new ATOM 0 HE1 MET A 215 3.145 0.890 -11.689 1.00 0.00 H new ATOM 0 HE2 MET A 215 4.638 0.876 -10.721 1.00 0.00 H new ATOM 0 HE3 MET A 215 3.527 -0.513 -10.662 1.00 0.00 H new ATOM 1083 N THR A 216 5.524 -1.380 -6.890 1.00 0.00 N ATOM 1084 CA THR A 216 6.464 -2.262 -7.561 1.00 0.00 C ATOM 1085 C THR A 216 6.811 -3.451 -6.664 1.00 0.00 C ATOM 1086 O THR A 216 6.926 -4.579 -7.140 1.00 0.00 O ATOM 1087 CB THR A 216 7.683 -1.432 -7.969 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.457 -1.137 -9.345 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.975 -2.250 -7.971 1.00 0.00 C ATOM 0 H THR A 216 5.899 -0.463 -6.648 1.00 0.00 H new ATOM 0 HA THR A 216 6.029 -2.691 -8.464 1.00 0.00 H new ATOM 0 HB THR A 216 7.790 -0.587 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.200 -0.599 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.808 -1.613 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.157 -2.644 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.881 -3.076 -8.676 1.00 0.00 H new ATOM 1097 N ALA A 217 6.971 -3.157 -5.382 1.00 0.00 N ATOM 1098 CA ALA A 217 7.303 -4.189 -4.413 1.00 0.00 C ATOM 1099 C ALA A 217 6.082 -5.082 -4.186 1.00 0.00 C ATOM 1100 O ALA A 217 6.205 -6.303 -4.117 1.00 0.00 O ATOM 1101 CB ALA A 217 7.798 -3.537 -3.122 1.00 0.00 C ATOM 0 H ALA A 217 6.877 -2.219 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 217 8.108 -4.822 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.047 -4.311 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.684 -2.939 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.016 -2.896 -2.715 1.00 0.00 H new ATOM 1107 N CYS A 218 4.929 -4.437 -4.075 1.00 0.00 N ATOM 1108 CA CYS A 218 3.686 -5.157 -3.856 1.00 0.00 C ATOM 1109 C CYS A 218 3.472 -6.113 -5.031 1.00 0.00 C ATOM 1110 O CYS A 218 3.011 -7.238 -4.844 1.00 0.00 O ATOM 1111 CB CYS A 218 2.504 -4.203 -3.674 1.00 0.00 C ATOM 1112 SG CYS A 218 1.121 -5.071 -2.848 1.00 0.00 S ATOM 0 H CYS A 218 4.830 -3.423 -4.133 1.00 0.00 H new ATOM 0 HA CYS A 218 3.752 -5.729 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.810 -3.341 -3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.179 -3.824 -4.643 1.00 0.00 H new ATOM 0 HG CYS A 218 0.206 -4.210 -2.513 1.00 0.00 H new ATOM 1118 N GLN A 219 3.818 -5.631 -6.215 1.00 0.00 N ATOM 1119 CA GLN A 219 3.669 -6.429 -7.420 1.00 0.00 C ATOM 1120 C GLN A 219 4.538 -7.686 -7.336 1.00 0.00 C ATOM 1121 O GLN A 219 4.240 -8.695 -7.973 1.00 0.00 O ATOM 1122 CB GLN A 219 4.010 -5.608 -8.667 1.00 0.00 C ATOM 1123 CG GLN A 219 2.860 -5.643 -9.676 1.00 0.00 C ATOM 1124 CD GLN A 219 2.814 -6.984 -10.410 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.745 -7.380 -11.092 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.681 -7.658 -10.234 1.00 0.00 N ATOM 0 H GLN A 219 4.201 -4.698 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 219 2.627 -6.737 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.218 -4.577 -8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.916 -6.000 -9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.914 -5.474 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.979 -4.834 -10.397 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.941 -7.268 -9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.552 -8.565 -10.683 1.00 0.00 H new ATOM 1135 N GLY A 220 5.596 -7.582 -6.546 1.00 0.00 N ATOM 1136 CA GLY A 220 6.511 -8.698 -6.369 1.00 0.00 C ATOM 1137 C GLY A 220 5.918 -9.749 -5.430 1.00 0.00 C ATOM 1138 O GLY A 220 6.275 -10.924 -5.504 1.00 0.00 O ATOM 0 H GLY A 220 5.841 -6.742 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.729 -9.151 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.457 -8.337 -5.965 1.00 0.00 H new ATOM 1142 N VAL A 221 5.023 -9.290 -4.568 1.00 0.00 N ATOM 1143 CA VAL A 221 4.378 -10.177 -3.615 1.00 0.00 C ATOM 1144 C VAL A 221 3.876 -11.424 -4.345 1.00 0.00 C ATOM 1145 O VAL A 221 3.532 -11.362 -5.524 1.00 0.00 O ATOM 1146 CB VAL A 221 3.266 -9.430 -2.875 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.950 -9.494 -3.654 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.091 -9.974 -1.455 1.00 0.00 C ATOM 0 H VAL A 221 4.729 -8.315 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 221 5.090 -10.507 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 221 3.559 -8.383 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.176 -8.956 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.085 -9.037 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.650 -10.535 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.295 -9.426 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.831 -11.032 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.022 -9.852 -0.901 1.00 0.00 H new