USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 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 200 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 188 THR OG1 : rot -81:sc= 0.0556 USER MOD Set 2.2: A 192 GLN : amide:sc= -0.132 K(o=-0.077,f=-0.87) USER MOD Set 3.1: A 155 GLN : amide:sc= -11.1! C(o=-23!,f=-36!) USER MOD Set 3.2: A 195 ASN : amide:sc= -12! C(o=-23!,f=-28!) USER MOD Single : A 149 SER OG : rot 133:sc= -3.78! USER MOD Single : A 164 TYR OH : rot -169:sc= 0.0389 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 82:sc= -1.04 USER MOD Single : A 186 THR OG1 : rot -32:sc= 0.544 USER MOD Single : A 193 ASN :FLIP amide:sc= -4.98! C(o=-7.2!,f=-5!) USER MOD Single : A 198 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 199 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.274) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 MET CE :methyl -174:sc= -5.08! (180deg=-5.42!) USER MOD Single : A 215 MET CE :methyl -174:sc= 0 (180deg=-0.0391) USER MOD Single : A 216 THR OG1 : rot 97:sc= 0.5 USER MOD Single : A 218 CYS SG : rot 165:sc= -0.863 USER MOD Single : A 219 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.465 5.513 6.919 1.00 0.00 N ATOM 16 CA SER A 149 -12.202 5.506 7.640 1.00 0.00 C ATOM 17 C SER A 149 -11.096 4.929 6.755 1.00 0.00 C ATOM 18 O SER A 149 -11.376 4.215 5.793 1.00 0.00 O ATOM 19 CB SER A 149 -12.314 4.706 8.939 1.00 0.00 C ATOM 20 OG SER A 149 -11.356 5.125 9.908 1.00 0.00 O ATOM 0 HA SER A 149 -11.951 6.535 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.318 4.819 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 149 -12.174 3.646 8.725 1.00 0.00 H new ATOM 0 HG SER A 149 -11.798 5.245 10.774 1.00 0.00 H new ATOM 26 N ILE A 150 -9.864 5.259 7.112 1.00 0.00 N ATOM 27 CA ILE A 150 -8.715 4.783 6.361 1.00 0.00 C ATOM 28 C ILE A 150 -8.387 3.351 6.793 1.00 0.00 C ATOM 29 O ILE A 150 -7.664 2.639 6.098 1.00 0.00 O ATOM 30 CB ILE A 150 -7.541 5.753 6.505 1.00 0.00 C ATOM 31 CG1 ILE A 150 -8.004 7.203 6.347 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.415 5.402 5.530 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.216 7.552 4.872 1.00 0.00 C ATOM 0 H ILE A 150 -9.636 5.850 7.911 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.943 4.751 5.296 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.138 5.652 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.933 7.354 6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.263 7.875 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.593 6.107 5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -6.060 4.392 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.789 5.456 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.545 8.588 4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.280 7.423 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.975 6.894 4.448 1.00 0.00 H new ATOM 45 N LEU A 151 -8.934 2.973 7.938 1.00 0.00 N ATOM 46 CA LEU A 151 -8.709 1.642 8.473 1.00 0.00 C ATOM 47 C LEU A 151 -9.381 0.611 7.561 1.00 0.00 C ATOM 48 O LEU A 151 -8.923 -0.525 7.461 1.00 0.00 O ATOM 49 CB LEU A 151 -9.165 1.562 9.931 1.00 0.00 C ATOM 50 CG LEU A 151 -10.678 1.524 10.157 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.134 0.120 10.566 1.00 0.00 C ATOM 52 CD2 LEU A 151 -11.109 2.585 11.172 1.00 0.00 C ATOM 0 H LEU A 151 -9.534 3.567 8.511 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.643 1.413 8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.728 0.670 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.759 2.420 10.466 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.171 1.763 9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.213 0.119 10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.880 -0.589 9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.634 -0.170 11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -12.189 2.536 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.610 2.402 12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.836 3.574 10.803 1.00 0.00 H new ATOM 64 N ASP A 152 -10.454 1.047 6.920 1.00 0.00 N ATOM 65 CA ASP A 152 -11.194 0.178 6.020 1.00 0.00 C ATOM 66 C ASP A 152 -10.394 -0.010 4.729 1.00 0.00 C ATOM 67 O ASP A 152 -10.700 -0.894 3.930 1.00 0.00 O ATOM 68 CB ASP A 152 -12.547 0.789 5.652 1.00 0.00 C ATOM 69 CG ASP A 152 -13.406 -0.060 4.713 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.435 -1.296 4.814 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.075 0.607 3.834 1.00 0.00 O ATOM 0 H ASP A 152 -10.830 1.991 7.005 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.354 -0.774 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.108 0.970 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.376 1.759 5.186 1.00 0.00 H new ATOM 77 N ILE A 153 -9.386 0.834 4.566 1.00 0.00 N ATOM 78 CA ILE A 153 -8.541 0.771 3.386 1.00 0.00 C ATOM 79 C ILE A 153 -7.432 -0.257 3.613 1.00 0.00 C ATOM 80 O ILE A 153 -6.487 -0.002 4.360 1.00 0.00 O ATOM 81 CB ILE A 153 -8.024 2.165 3.022 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.167 3.071 2.561 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.905 2.080 1.983 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.302 3.087 3.588 1.00 0.00 C ATOM 0 H ILE A 153 -9.135 1.565 5.232 1.00 0.00 H new ATOM 0 HA ILE A 153 -9.116 0.435 2.523 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.598 2.616 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.794 4.084 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.546 2.724 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.555 3.084 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -6.078 1.495 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.283 1.601 1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -11.102 3.738 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.688 2.076 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.925 3.458 4.541 1.00 0.00 H new ATOM 96 N ARG A 154 -7.581 -1.397 2.955 1.00 0.00 N ATOM 97 CA ARG A 154 -6.603 -2.465 3.076 1.00 0.00 C ATOM 98 C ARG A 154 -6.365 -3.124 1.716 1.00 0.00 C ATOM 99 O ARG A 154 -7.123 -2.900 0.773 1.00 0.00 O ATOM 100 CB ARG A 154 -7.067 -3.527 4.075 1.00 0.00 C ATOM 101 CG ARG A 154 -5.878 -4.142 4.815 1.00 0.00 C ATOM 102 CD ARG A 154 -5.761 -5.638 4.519 1.00 0.00 C ATOM 103 NE ARG A 154 -6.063 -6.420 5.739 1.00 0.00 N ATOM 104 CZ ARG A 154 -7.308 -6.760 6.132 1.00 0.00 C ATOM 105 NH1 ARG A 154 -8.381 -6.388 5.404 1.00 0.00 N ATOM 106 NH2 ARG A 154 -7.461 -7.461 7.241 1.00 0.00 N ATOM 0 H ARG A 154 -8.365 -1.605 2.336 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.674 -2.024 3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.755 -3.080 4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.617 -4.308 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.959 -3.636 4.518 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.994 -3.988 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.449 -5.914 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -4.756 -5.870 4.168 1.00 0.00 H new ATOM 0 HE ARG A 154 -5.280 -6.721 6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.254 -5.846 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.319 -6.649 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -6.645 -7.737 7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -8.396 -7.726 7.552 1.00 0.00 H new ATOM 120 N GLN A 155 -5.308 -3.921 1.658 1.00 0.00 N ATOM 121 CA GLN A 155 -4.961 -4.613 0.428 1.00 0.00 C ATOM 122 C GLN A 155 -5.087 -6.126 0.617 1.00 0.00 C ATOM 123 O GLN A 155 -4.312 -6.728 1.358 1.00 0.00 O ATOM 124 CB GLN A 155 -3.554 -4.233 -0.036 1.00 0.00 C ATOM 125 CG GLN A 155 -2.921 -5.364 -0.851 1.00 0.00 C ATOM 126 CD GLN A 155 -2.108 -6.297 0.048 1.00 0.00 C ATOM 127 OE1 GLN A 155 -2.010 -6.115 1.251 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.532 -7.306 -0.600 1.00 0.00 N ATOM 0 H GLN A 155 -4.681 -4.103 2.442 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.660 -4.305 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.599 -3.326 -0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.930 -4.010 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.701 -5.931 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.277 -4.944 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.654 -7.401 -1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -0.968 -7.985 -0.089 1.00 0.00 H new ATOM 196 N PRO A 160 -5.647 -6.110 -5.961 1.00 0.00 N ATOM 197 CA PRO A 160 -4.454 -5.433 -6.439 1.00 0.00 C ATOM 198 C PRO A 160 -4.067 -4.282 -5.508 1.00 0.00 C ATOM 199 O PRO A 160 -4.922 -3.708 -4.835 1.00 0.00 O ATOM 200 CB PRO A 160 -4.802 -4.969 -7.844 1.00 0.00 C ATOM 201 CG PRO A 160 -6.319 -4.993 -7.927 1.00 0.00 C ATOM 202 CD PRO A 160 -6.839 -5.784 -6.738 1.00 0.00 C ATOM 0 HA PRO A 160 -3.579 -6.082 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.416 -3.967 -8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.359 -5.626 -8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.718 -3.979 -7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.643 -5.451 -8.861 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.546 -5.198 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.361 -6.685 -7.059 1.00 0.00 H new ATOM 210 N PHE A 161 -2.777 -3.980 -5.498 1.00 0.00 N ATOM 211 CA PHE A 161 -2.265 -2.909 -4.661 1.00 0.00 C ATOM 212 C PHE A 161 -2.710 -1.542 -5.186 1.00 0.00 C ATOM 213 O PHE A 161 -2.769 -0.572 -4.432 1.00 0.00 O ATOM 214 CB PHE A 161 -0.739 -2.990 -4.714 1.00 0.00 C ATOM 215 CG PHE A 161 -0.030 -1.981 -3.807 1.00 0.00 C ATOM 216 CD1 PHE A 161 -0.087 -2.126 -2.454 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.656 -0.940 -4.350 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.570 -1.190 -1.612 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.314 -0.006 -3.508 1.00 0.00 C ATOM 220 CZ PHE A 161 1.256 -0.150 -2.157 1.00 0.00 C ATOM 0 H PHE A 161 -2.071 -4.459 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.643 -3.019 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.429 -3.996 -4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.412 -2.831 -5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.632 -2.952 -2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.700 -0.824 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.525 -1.304 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 161 1.861 0.819 -3.940 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.755 0.562 -1.516 1.00 0.00 H new ATOM 230 N ARG A 162 -3.016 -1.510 -6.474 1.00 0.00 N ATOM 231 CA ARG A 162 -3.453 -0.278 -7.109 1.00 0.00 C ATOM 232 C ARG A 162 -4.822 0.140 -6.566 1.00 0.00 C ATOM 233 O ARG A 162 -5.028 1.303 -6.224 1.00 0.00 O ATOM 234 CB ARG A 162 -3.545 -0.444 -8.628 1.00 0.00 C ATOM 235 CG ARG A 162 -2.304 0.127 -9.316 1.00 0.00 C ATOM 236 CD ARG A 162 -2.591 0.448 -10.784 1.00 0.00 C ATOM 237 NE ARG A 162 -1.965 1.738 -11.153 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.024 2.282 -12.386 1.00 0.00 C ATOM 239 NH1 ARG A 162 -2.680 1.653 -13.383 1.00 0.00 N ATOM 240 NH2 ARG A 162 -1.428 3.441 -12.602 1.00 0.00 N ATOM 0 H ARG A 162 -2.970 -2.317 -7.096 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.716 0.492 -6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.650 -1.500 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.437 0.061 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -1.980 1.030 -8.799 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.485 -0.589 -9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.205 -0.348 -11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.667 0.496 -10.950 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.457 2.247 -10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.137 0.758 -13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -2.719 2.072 -14.312 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.934 3.910 -11.843 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -1.462 3.867 -13.528 1.00 0.00 H new ATOM 254 N ASP A 163 -5.721 -0.831 -6.504 1.00 0.00 N ATOM 255 CA ASP A 163 -7.063 -0.578 -6.009 1.00 0.00 C ATOM 256 C ASP A 163 -6.989 -0.153 -4.541 1.00 0.00 C ATOM 257 O ASP A 163 -7.770 0.684 -4.091 1.00 0.00 O ATOM 258 CB ASP A 163 -7.929 -1.836 -6.093 1.00 0.00 C ATOM 259 CG ASP A 163 -8.704 -2.002 -7.402 1.00 0.00 C ATOM 260 OD1 ASP A 163 -8.115 -2.050 -8.490 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.986 -2.081 -7.270 1.00 0.00 O ATOM 0 H ASP A 163 -5.546 -1.795 -6.789 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.506 0.206 -6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.290 -2.708 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.640 -1.825 -5.267 1.00 0.00 H new ATOM 267 N TYR A 164 -6.041 -0.750 -3.833 1.00 0.00 N ATOM 268 CA TYR A 164 -5.854 -0.444 -2.425 1.00 0.00 C ATOM 269 C TYR A 164 -5.396 1.003 -2.234 1.00 0.00 C ATOM 270 O TYR A 164 -5.933 1.722 -1.393 1.00 0.00 O ATOM 271 CB TYR A 164 -4.751 -1.384 -1.932 1.00 0.00 C ATOM 272 CG TYR A 164 -4.183 -1.013 -0.561 1.00 0.00 C ATOM 273 CD1 TYR A 164 -5.036 -0.786 0.501 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.818 -0.903 -0.385 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.500 -0.435 1.792 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.283 -0.553 0.905 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.152 -0.336 1.930 1.00 0.00 C ATOM 278 OH TYR A 164 -2.646 -0.006 3.149 1.00 0.00 O ATOM 0 H TYR A 164 -5.394 -1.444 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.788 -0.571 -1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.146 -2.399 -1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.940 -1.389 -2.660 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -6.104 -0.871 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.151 -1.080 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.155 -0.255 2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.217 -0.465 1.056 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.692 0.199 3.062 1.00 0.00 H new ATOM 288 N VAL A 165 -4.408 1.388 -3.029 1.00 0.00 N ATOM 289 CA VAL A 165 -3.873 2.736 -2.959 1.00 0.00 C ATOM 290 C VAL A 165 -4.980 3.739 -3.291 1.00 0.00 C ATOM 291 O VAL A 165 -5.117 4.763 -2.622 1.00 0.00 O ATOM 292 CB VAL A 165 -2.655 2.864 -3.877 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.441 4.318 -4.303 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.402 2.299 -3.206 1.00 0.00 C ATOM 0 H VAL A 165 -3.964 0.789 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.527 2.957 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.848 2.277 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.570 4.382 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.321 4.674 -4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.279 4.936 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.551 2.402 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.204 2.847 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.557 1.245 -2.975 1.00 0.00 H new ATOM 304 N ASP A 166 -5.742 3.410 -4.325 1.00 0.00 N ATOM 305 CA ASP A 166 -6.832 4.268 -4.754 1.00 0.00 C ATOM 306 C ASP A 166 -7.807 4.466 -3.591 1.00 0.00 C ATOM 307 O ASP A 166 -8.272 5.578 -3.349 1.00 0.00 O ATOM 308 CB ASP A 166 -7.603 3.640 -5.916 1.00 0.00 C ATOM 309 CG ASP A 166 -8.433 4.621 -6.746 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.113 5.815 -6.832 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.462 4.106 -7.330 1.00 0.00 O ATOM 0 H ASP A 166 -5.625 2.561 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.406 5.218 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.893 3.140 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.266 2.871 -5.519 1.00 0.00 H new ATOM 317 N ARG A 167 -8.088 3.370 -2.903 1.00 0.00 N ATOM 318 CA ARG A 167 -9.000 3.408 -1.772 1.00 0.00 C ATOM 319 C ARG A 167 -8.411 4.258 -0.644 1.00 0.00 C ATOM 320 O ARG A 167 -9.111 5.072 -0.045 1.00 0.00 O ATOM 321 CB ARG A 167 -9.284 2.001 -1.245 1.00 0.00 C ATOM 322 CG ARG A 167 -10.776 1.808 -0.970 1.00 0.00 C ATOM 323 CD ARG A 167 -11.335 0.629 -1.768 1.00 0.00 C ATOM 324 NE ARG A 167 -12.228 -0.184 -0.914 1.00 0.00 N ATOM 325 CZ ARG A 167 -13.493 0.165 -0.595 1.00 0.00 C ATOM 326 NH1 ARG A 167 -14.024 1.316 -1.059 1.00 0.00 N ATOM 327 NH2 ARG A 167 -14.203 -0.636 0.177 1.00 0.00 N ATOM 0 H ARG A 167 -7.700 2.449 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.935 3.850 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.946 1.262 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.717 1.831 -0.330 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.934 1.638 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.318 2.717 -1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -11.883 0.995 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.518 0.013 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 167 -11.866 -1.063 -0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.469 1.930 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -14.980 1.572 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -13.795 -1.504 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -15.160 -0.387 0.427 1.00 0.00 H new ATOM 341 N PHE A 168 -7.129 4.040 -0.390 1.00 0.00 N ATOM 342 CA PHE A 168 -6.437 4.777 0.655 1.00 0.00 C ATOM 343 C PHE A 168 -6.504 6.284 0.400 1.00 0.00 C ATOM 344 O PHE A 168 -6.809 7.057 1.305 1.00 0.00 O ATOM 345 CB PHE A 168 -4.974 4.329 0.622 1.00 0.00 C ATOM 346 CG PHE A 168 -4.115 4.933 1.735 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.521 6.143 1.555 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.945 4.261 2.905 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.724 6.704 2.588 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.148 4.820 3.938 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.554 6.030 3.758 1.00 0.00 C ATOM 0 H PHE A 168 -6.551 3.364 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.902 4.580 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.935 3.242 0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.543 4.598 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.655 6.678 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.417 3.300 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.253 7.665 2.445 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -3.013 4.285 4.866 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.947 6.456 4.543 1.00 0.00 H new ATOM 361 N TYR A 169 -6.213 6.655 -0.837 1.00 0.00 N ATOM 362 CA TYR A 169 -6.237 8.056 -1.223 1.00 0.00 C ATOM 363 C TYR A 169 -7.673 8.558 -1.378 1.00 0.00 C ATOM 364 O TYR A 169 -7.926 9.760 -1.307 1.00 0.00 O ATOM 365 CB TYR A 169 -5.533 8.131 -2.580 1.00 0.00 C ATOM 366 CG TYR A 169 -4.008 8.056 -2.494 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.406 7.036 -1.785 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.233 9.007 -3.127 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.969 6.965 -1.705 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.797 8.936 -3.047 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.236 7.918 -2.340 1.00 0.00 C ATOM 372 OH TYR A 169 0.120 7.852 -2.264 1.00 0.00 O ATOM 0 H TYR A 169 -5.959 6.010 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.752 8.671 -0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.892 7.317 -3.209 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.814 9.062 -3.073 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -4.012 6.291 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.704 9.805 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.485 6.173 -1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.179 9.674 -3.537 1.00 0.00 H new ATOM 0 HH TYR A 169 0.512 8.597 -2.766 1.00 0.00 H new ATOM 382 N LYS A 170 -8.577 7.612 -1.589 1.00 0.00 N ATOM 383 CA LYS A 170 -9.982 7.943 -1.754 1.00 0.00 C ATOM 384 C LYS A 170 -10.567 8.358 -0.404 1.00 0.00 C ATOM 385 O LYS A 170 -11.300 9.342 -0.315 1.00 0.00 O ATOM 386 CB LYS A 170 -10.730 6.787 -2.421 1.00 0.00 C ATOM 387 CG LYS A 170 -10.807 6.983 -3.935 1.00 0.00 C ATOM 388 CD LYS A 170 -11.000 5.645 -4.653 1.00 0.00 C ATOM 389 CE LYS A 170 -12.483 5.283 -4.747 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.714 3.910 -4.246 1.00 0.00 N ATOM 0 H LYS A 170 -8.363 6.616 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.096 8.795 -2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.226 5.847 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.736 6.715 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.633 7.652 -4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.894 7.462 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.571 5.700 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.464 4.861 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.074 5.992 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.817 5.360 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.726 3.680 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.165 3.235 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.414 3.848 -3.252 1.00 0.00 H new ATOM 404 N THR A 171 -10.223 7.585 0.617 1.00 0.00 N ATOM 405 CA THR A 171 -10.705 7.860 1.959 1.00 0.00 C ATOM 406 C THR A 171 -9.982 9.073 2.548 1.00 0.00 C ATOM 407 O THR A 171 -10.597 9.898 3.222 1.00 0.00 O ATOM 408 CB THR A 171 -10.533 6.587 2.792 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.316 5.615 2.106 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.194 6.695 4.168 1.00 0.00 C ATOM 0 H THR A 171 -9.616 6.769 0.541 1.00 0.00 H new ATOM 0 HA THR A 171 -11.763 8.123 1.953 1.00 0.00 H new ATOM 0 HB THR A 171 -9.471 6.374 2.915 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.800 5.249 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.043 5.766 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.749 7.521 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.262 6.874 4.045 1.00 0.00 H new ATOM 418 N LEU A 172 -8.689 9.143 2.271 1.00 0.00 N ATOM 419 CA LEU A 172 -7.877 10.243 2.764 1.00 0.00 C ATOM 420 C LEU A 172 -8.458 11.565 2.262 1.00 0.00 C ATOM 421 O LEU A 172 -8.616 12.510 3.033 1.00 0.00 O ATOM 422 CB LEU A 172 -6.409 10.033 2.389 1.00 0.00 C ATOM 423 CG LEU A 172 -5.883 10.890 1.234 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.895 12.375 1.602 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.496 10.420 0.791 1.00 0.00 C ATOM 0 H LEU A 172 -8.183 8.456 1.712 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.902 10.278 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.798 10.230 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.267 8.984 2.131 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.553 10.765 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.517 12.961 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.915 12.685 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.262 12.539 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.145 11.045 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.801 10.497 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.552 9.383 0.460 1.00 0.00 H new ATOM 437 N ARG A 173 -8.759 11.591 0.972 1.00 0.00 N ATOM 438 CA ARG A 173 -9.320 12.783 0.358 1.00 0.00 C ATOM 439 C ARG A 173 -10.781 12.958 0.775 1.00 0.00 C ATOM 440 O ARG A 173 -11.387 13.995 0.507 1.00 0.00 O ATOM 441 CB ARG A 173 -9.238 12.707 -1.167 1.00 0.00 C ATOM 442 CG ARG A 173 -8.031 13.486 -1.691 1.00 0.00 C ATOM 443 CD ARG A 173 -7.205 12.634 -2.658 1.00 0.00 C ATOM 444 NE ARG A 173 -6.585 13.496 -3.689 1.00 0.00 N ATOM 445 CZ ARG A 173 -5.468 13.171 -4.375 1.00 0.00 C ATOM 446 NH1 ARG A 173 -4.839 11.999 -4.144 1.00 0.00 N ATOM 447 NH2 ARG A 173 -5.001 14.017 -5.274 1.00 0.00 N ATOM 0 H ARG A 173 -8.625 10.806 0.335 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.736 13.638 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.166 11.665 -1.479 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.152 13.109 -1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.369 14.391 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.407 13.802 -0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.432 12.094 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.841 11.887 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 173 -7.029 14.391 -3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -5.207 11.351 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -3.996 11.761 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.483 14.900 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -4.158 13.787 -5.801 1.00 0.00 H new ATOM 461 N ALA A 174 -11.305 11.930 1.425 1.00 0.00 N ATOM 462 CA ALA A 174 -12.684 11.957 1.882 1.00 0.00 C ATOM 463 C ALA A 174 -12.806 12.919 3.066 1.00 0.00 C ATOM 464 O ALA A 174 -13.891 13.424 3.351 1.00 0.00 O ATOM 465 CB ALA A 174 -13.134 10.539 2.235 1.00 0.00 C ATOM 0 H ALA A 174 -10.799 11.072 1.646 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.342 12.320 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.169 10.560 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.057 9.903 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.498 10.142 3.026 1.00 0.00 H new ATOM 630 N THR A 186 1.146 9.269 5.855 1.00 0.00 N ATOM 631 CA THR A 186 0.222 8.519 5.022 1.00 0.00 C ATOM 632 C THR A 186 0.871 7.220 4.542 1.00 0.00 C ATOM 633 O THR A 186 0.251 6.158 4.588 1.00 0.00 O ATOM 634 CB THR A 186 -0.232 9.429 3.879 1.00 0.00 C ATOM 635 OG1 THR A 186 0.985 9.942 3.341 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.970 10.672 4.378 1.00 0.00 C ATOM 0 HA THR A 186 -0.661 8.216 5.585 1.00 0.00 H new ATOM 0 HB THR A 186 -0.879 8.869 3.204 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.651 10.022 4.056 1.00 0.00 H new ATOM 0 HG21 THR A 186 -1.270 11.283 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 186 -1.855 10.369 4.938 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.311 11.251 5.026 1.00 0.00 H new ATOM 644 N GLU A 187 2.111 7.345 4.094 1.00 0.00 N ATOM 645 CA GLU A 187 2.850 6.194 3.606 1.00 0.00 C ATOM 646 C GLU A 187 2.958 5.130 4.701 1.00 0.00 C ATOM 647 O GLU A 187 2.870 3.935 4.421 1.00 0.00 O ATOM 648 CB GLU A 187 4.236 6.605 3.102 1.00 0.00 C ATOM 649 CG GLU A 187 5.069 5.378 2.731 1.00 0.00 C ATOM 650 CD GLU A 187 4.383 4.557 1.638 1.00 0.00 C ATOM 651 OE1 GLU A 187 3.986 5.114 0.602 1.00 0.00 O ATOM 652 OE2 GLU A 187 4.268 3.298 1.890 1.00 0.00 O ATOM 0 H GLU A 187 2.623 8.227 4.059 1.00 0.00 H new ATOM 0 HA GLU A 187 2.305 5.767 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.133 7.255 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.751 7.180 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 187 6.055 5.694 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 187 5.222 4.758 3.614 1.00 0.00 H new ATOM 660 N THR A 188 3.150 5.602 5.924 1.00 0.00 N ATOM 661 CA THR A 188 3.271 4.706 7.061 1.00 0.00 C ATOM 662 C THR A 188 1.936 4.013 7.338 1.00 0.00 C ATOM 663 O THR A 188 1.908 2.852 7.748 1.00 0.00 O ATOM 664 CB THR A 188 3.791 5.519 8.248 1.00 0.00 C ATOM 665 OG1 THR A 188 4.785 4.682 8.834 1.00 0.00 O ATOM 666 CG2 THR A 188 2.743 5.679 9.352 1.00 0.00 C ATOM 0 H THR A 188 3.225 6.593 6.152 1.00 0.00 H new ATOM 0 HA THR A 188 3.982 3.904 6.860 1.00 0.00 H new ATOM 0 HB THR A 188 4.109 6.503 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 188 4.353 4.010 9.402 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.163 6.264 10.171 1.00 0.00 H new ATOM 0 HG22 THR A 188 1.868 6.191 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.450 4.696 9.721 1.00 0.00 H new ATOM 674 N LEU A 189 0.861 4.751 7.103 1.00 0.00 N ATOM 675 CA LEU A 189 -0.474 4.222 7.324 1.00 0.00 C ATOM 676 C LEU A 189 -0.770 3.147 6.274 1.00 0.00 C ATOM 677 O LEU A 189 -1.248 2.065 6.608 1.00 0.00 O ATOM 678 CB LEU A 189 -1.503 5.354 7.351 1.00 0.00 C ATOM 679 CG LEU A 189 -2.010 5.765 8.733 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.845 7.045 8.653 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.777 4.622 9.398 1.00 0.00 C ATOM 0 H LEU A 189 0.888 5.712 6.761 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.537 3.743 8.301 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -1.064 6.229 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.359 5.055 6.746 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.147 5.982 9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.193 7.315 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.234 7.853 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.703 6.880 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.127 4.941 10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.632 4.349 8.779 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -2.120 3.759 9.510 1.00 0.00 H new ATOM 693 N LEU A 190 -0.473 3.485 5.027 1.00 0.00 N ATOM 694 CA LEU A 190 -0.701 2.563 3.928 1.00 0.00 C ATOM 695 C LEU A 190 0.067 1.265 4.188 1.00 0.00 C ATOM 696 O LEU A 190 -0.467 0.175 3.993 1.00 0.00 O ATOM 697 CB LEU A 190 -0.355 3.225 2.593 1.00 0.00 C ATOM 698 CG LEU A 190 -0.421 2.322 1.359 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.662 2.630 0.521 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.866 2.423 0.537 1.00 0.00 C ATOM 0 H LEU A 190 -0.077 4.384 4.754 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.757 2.301 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.032 4.065 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.652 3.636 2.664 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.508 1.289 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.685 1.975 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.557 2.466 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.631 3.669 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.793 1.772 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.009 3.453 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.714 2.116 1.149 1.00 0.00 H new ATOM 712 N VAL A 191 1.307 1.426 4.625 1.00 0.00 N ATOM 713 CA VAL A 191 2.153 0.282 4.915 1.00 0.00 C ATOM 714 C VAL A 191 1.583 -0.480 6.113 1.00 0.00 C ATOM 715 O VAL A 191 1.462 -1.702 6.077 1.00 0.00 O ATOM 716 CB VAL A 191 3.597 0.739 5.130 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.498 -0.441 5.500 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.130 1.470 3.896 1.00 0.00 C ATOM 0 H VAL A 191 1.746 2.333 4.785 1.00 0.00 H new ATOM 0 HA VAL A 191 2.166 -0.406 4.069 1.00 0.00 H new ATOM 0 HB VAL A 191 3.605 1.440 5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.519 -0.087 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.137 -0.900 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.481 -1.177 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.158 1.784 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.100 0.801 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.512 2.346 3.697 1.00 0.00 H new ATOM 728 N GLN A 192 1.246 0.276 7.148 1.00 0.00 N ATOM 729 CA GLN A 192 0.691 -0.311 8.355 1.00 0.00 C ATOM 730 C GLN A 192 -0.657 -0.970 8.053 1.00 0.00 C ATOM 731 O GLN A 192 -0.969 -2.029 8.597 1.00 0.00 O ATOM 732 CB GLN A 192 0.552 0.737 9.461 1.00 0.00 C ATOM 733 CG GLN A 192 1.724 0.657 10.442 1.00 0.00 C ATOM 734 CD GLN A 192 2.091 2.044 10.970 1.00 0.00 C ATOM 735 OE1 GLN A 192 3.151 2.583 10.692 1.00 0.00 O ATOM 736 NE2 GLN A 192 1.162 2.590 11.749 1.00 0.00 N ATOM 0 H GLN A 192 1.347 1.291 7.175 1.00 0.00 H new ATOM 0 HA GLN A 192 1.378 -1.079 8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.509 1.733 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 192 -0.386 0.585 9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 192 1.462 0.004 11.275 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.587 0.212 9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 192 0.297 2.085 11.942 1.00 0.00 H new ATOM 0 HE22 GLN A 192 1.314 3.514 12.154 1.00 0.00 H new ATOM 745 N ASN A 193 -1.419 -0.317 7.188 1.00 0.00 N ATOM 746 CA ASN A 193 -2.725 -0.827 6.807 1.00 0.00 C ATOM 747 C ASN A 193 -2.584 -1.696 5.556 1.00 0.00 C ATOM 748 O ASN A 193 -3.569 -1.969 4.871 1.00 0.00 O ATOM 749 CB ASN A 193 -3.689 0.316 6.483 1.00 0.00 C ATOM 750 CG ASN A 193 -5.143 -0.158 6.552 1.00 0.00 C ATOM 751 OD1 ASN A 193 -6.019 0.817 6.776 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.448 -1.330 6.409 1.00 0.00 N flip ATOM 0 H ASN A 193 -1.157 0.561 6.740 1.00 0.00 H new ATOM 0 HA ASN A 193 -3.118 -1.405 7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.536 1.136 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.476 0.705 5.487 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.724 -2.028 6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.427 -1.612 6.459 1.00 0.00 H new ATOM 759 N ALA A 194 -1.351 -2.106 5.294 1.00 0.00 N ATOM 760 CA ALA A 194 -1.069 -2.938 4.137 1.00 0.00 C ATOM 761 C ALA A 194 -0.605 -4.318 4.608 1.00 0.00 C ATOM 762 O ALA A 194 -0.096 -4.461 5.718 1.00 0.00 O ATOM 763 CB ALA A 194 -0.030 -2.245 3.252 1.00 0.00 C ATOM 0 H ALA A 194 -0.536 -1.877 5.864 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.968 -3.079 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.182 -2.869 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.418 -1.282 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.887 -2.090 3.820 1.00 0.00 H new ATOM 769 N ASN A 195 -0.800 -5.299 3.738 1.00 0.00 N ATOM 770 CA ASN A 195 -0.408 -6.663 4.052 1.00 0.00 C ATOM 771 C ASN A 195 0.951 -6.651 4.754 1.00 0.00 C ATOM 772 O ASN A 195 1.681 -5.664 4.685 1.00 0.00 O ATOM 773 CB ASN A 195 -0.276 -7.503 2.780 1.00 0.00 C ATOM 774 CG ASN A 195 0.446 -6.723 1.679 1.00 0.00 C ATOM 775 OD1 ASN A 195 0.602 -5.514 1.740 1.00 0.00 O ATOM 776 ND2 ASN A 195 0.874 -7.478 0.671 1.00 0.00 N ATOM 0 H ASN A 195 -1.223 -5.177 2.818 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.176 -7.096 4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.272 -8.419 3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -1.265 -7.799 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 195 1.366 -7.050 -0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 195 0.710 -8.485 0.683 1.00 0.00 H new ATOM 783 N PRO A 196 1.258 -7.790 5.432 1.00 0.00 N ATOM 784 CA PRO A 196 2.516 -7.919 6.146 1.00 0.00 C ATOM 785 C PRO A 196 3.678 -8.143 5.175 1.00 0.00 C ATOM 786 O PRO A 196 4.718 -7.496 5.285 1.00 0.00 O ATOM 787 CB PRO A 196 2.309 -9.083 7.101 1.00 0.00 C ATOM 788 CG PRO A 196 1.114 -9.854 6.565 1.00 0.00 C ATOM 789 CD PRO A 196 0.419 -8.980 5.536 1.00 0.00 C ATOM 0 HA PRO A 196 2.783 -7.015 6.693 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.195 -9.716 7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 196 2.122 -8.728 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.436 -10.792 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.430 -10.108 7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.334 -9.490 4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.593 -8.725 5.852 1.00 0.00 H new ATOM 797 N ASP A 197 3.461 -9.062 4.245 1.00 0.00 N ATOM 798 CA ASP A 197 4.477 -9.379 3.256 1.00 0.00 C ATOM 799 C ASP A 197 5.001 -8.082 2.636 1.00 0.00 C ATOM 800 O ASP A 197 6.210 -7.899 2.502 1.00 0.00 O ATOM 801 CB ASP A 197 3.900 -10.242 2.132 1.00 0.00 C ATOM 802 CG ASP A 197 4.037 -11.751 2.339 1.00 0.00 C ATOM 803 OD1 ASP A 197 4.634 -12.209 3.326 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.493 -12.480 1.424 1.00 0.00 O ATOM 0 H ASP A 197 2.597 -9.597 4.156 1.00 0.00 H new ATOM 0 HA ASP A 197 5.276 -9.926 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.843 -10.001 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.393 -9.973 1.198 1.00 0.00 H new ATOM 810 N CYS A 198 4.065 -7.218 2.272 1.00 0.00 N ATOM 811 CA CYS A 198 4.418 -5.944 1.669 1.00 0.00 C ATOM 812 C CYS A 198 5.335 -5.192 2.636 1.00 0.00 C ATOM 813 O CYS A 198 6.257 -4.500 2.211 1.00 0.00 O ATOM 814 CB CYS A 198 3.176 -5.126 1.307 1.00 0.00 C ATOM 815 SG CYS A 198 3.663 -3.620 0.391 1.00 0.00 S ATOM 0 H CYS A 198 3.063 -7.375 2.383 1.00 0.00 H new ATOM 0 HA CYS A 198 4.945 -6.117 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.499 -5.727 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.635 -4.852 2.212 1.00 0.00 H new ATOM 0 HG CYS A 198 2.601 -2.934 0.087 1.00 0.00 H new ATOM 821 N LYS A 199 5.047 -5.353 3.920 1.00 0.00 N ATOM 822 CA LYS A 199 5.834 -4.698 4.950 1.00 0.00 C ATOM 823 C LYS A 199 7.300 -5.109 4.806 1.00 0.00 C ATOM 824 O LYS A 199 8.193 -4.265 4.847 1.00 0.00 O ATOM 825 CB LYS A 199 5.248 -4.984 6.335 1.00 0.00 C ATOM 826 CG LYS A 199 5.763 -3.980 7.367 1.00 0.00 C ATOM 827 CD LYS A 199 4.618 -3.137 7.932 1.00 0.00 C ATOM 828 CE LYS A 199 3.944 -3.848 9.107 1.00 0.00 C ATOM 829 NZ LYS A 199 3.405 -2.862 10.071 1.00 0.00 N ATOM 0 H LYS A 199 4.280 -5.927 4.269 1.00 0.00 H new ATOM 0 HA LYS A 199 5.794 -3.616 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 199 4.160 -4.938 6.290 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.512 -5.996 6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.263 -4.510 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.506 -3.329 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 199 5.000 -2.170 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.884 -2.943 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.139 -4.485 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.662 -4.498 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 2.559 -3.254 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 4.125 -2.651 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 3.152 -1.988 9.568 1.00 0.00 H new ATOM 843 N THR A 200 7.503 -6.407 4.639 1.00 0.00 N ATOM 844 CA THR A 200 8.846 -6.942 4.488 1.00 0.00 C ATOM 845 C THR A 200 9.500 -6.390 3.220 1.00 0.00 C ATOM 846 O THR A 200 10.675 -6.024 3.231 1.00 0.00 O ATOM 847 CB THR A 200 8.753 -8.468 4.508 1.00 0.00 C ATOM 848 OG1 THR A 200 8.222 -8.767 5.796 1.00 0.00 O ATOM 849 CG2 THR A 200 10.128 -9.140 4.508 1.00 0.00 C ATOM 0 H THR A 200 6.760 -7.105 4.605 1.00 0.00 H new ATOM 0 HA THR A 200 9.490 -6.631 5.311 1.00 0.00 H new ATOM 0 HB THR A 200 8.183 -8.807 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 200 8.127 -9.738 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.004 -10.223 4.523 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.675 -8.850 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.686 -8.827 5.390 1.00 0.00 H new ATOM 857 N ILE A 201 8.712 -6.349 2.155 1.00 0.00 N ATOM 858 CA ILE A 201 9.198 -5.848 0.882 1.00 0.00 C ATOM 859 C ILE A 201 9.549 -4.366 1.022 1.00 0.00 C ATOM 860 O ILE A 201 10.510 -3.891 0.419 1.00 0.00 O ATOM 861 CB ILE A 201 8.188 -6.140 -0.231 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.498 -7.486 -0.006 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.851 -6.058 -1.607 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.384 -8.269 -1.314 1.00 0.00 C ATOM 0 H ILE A 201 7.739 -6.655 2.149 1.00 0.00 H new ATOM 0 HA ILE A 201 10.113 -6.366 0.593 1.00 0.00 H new ATOM 0 HB ILE A 201 7.414 -5.373 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 201 8.060 -8.069 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.505 -7.324 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.112 -6.269 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.256 -5.057 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.658 -6.789 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.890 -9.222 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.801 -7.694 -2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.380 -8.451 -1.717 1.00 0.00 H new ATOM 876 N LEU A 202 8.750 -3.675 1.821 1.00 0.00 N ATOM 877 CA LEU A 202 8.962 -2.256 2.048 1.00 0.00 C ATOM 878 C LEU A 202 10.238 -2.060 2.871 1.00 0.00 C ATOM 879 O LEU A 202 10.945 -1.069 2.701 1.00 0.00 O ATOM 880 CB LEU A 202 7.721 -1.621 2.678 1.00 0.00 C ATOM 881 CG LEU A 202 6.987 -0.587 1.822 1.00 0.00 C ATOM 882 CD1 LEU A 202 5.483 -0.868 1.793 1.00 0.00 C ATOM 883 CD2 LEU A 202 7.296 0.835 2.292 1.00 0.00 C ATOM 0 H LEU A 202 7.954 -4.072 2.320 1.00 0.00 H new ATOM 0 HA LEU A 202 9.110 -1.738 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 202 7.020 -2.416 2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 202 8.016 -1.145 3.613 1.00 0.00 H new ATOM 0 HG LEU A 202 7.351 -0.672 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 202 4.985 -0.119 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 202 5.306 -1.858 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 202 5.086 -0.827 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 202 6.761 1.549 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.979 0.953 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 202 8.368 1.018 2.217 1.00 0.00 H new ATOM 895 N LYS A 203 10.492 -3.022 3.746 1.00 0.00 N ATOM 896 CA LYS A 203 11.669 -2.969 4.596 1.00 0.00 C ATOM 897 C LYS A 203 12.923 -3.124 3.732 1.00 0.00 C ATOM 898 O LYS A 203 13.920 -2.437 3.949 1.00 0.00 O ATOM 899 CB LYS A 203 11.565 -4.002 5.721 1.00 0.00 C ATOM 900 CG LYS A 203 10.917 -3.392 6.965 1.00 0.00 C ATOM 901 CD LYS A 203 10.649 -4.463 8.024 1.00 0.00 C ATOM 902 CE LYS A 203 9.197 -4.942 7.965 1.00 0.00 C ATOM 903 NZ LYS A 203 9.075 -6.300 8.543 1.00 0.00 N ATOM 0 H LYS A 203 9.903 -3.843 3.885 1.00 0.00 H new ATOM 0 HA LYS A 203 11.739 -2.000 5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.979 -4.856 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 203 12.558 -4.376 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.568 -2.622 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.981 -2.905 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 203 11.321 -5.308 7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.863 -4.062 9.015 1.00 0.00 H new ATOM 0 HE2 LYS A 203 8.557 -4.249 8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 203 8.852 -4.948 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.083 -6.610 8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.671 -6.961 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.385 -6.284 9.536 1.00 0.00 H new ATOM 917 N ALA A 204 12.833 -4.032 2.772 1.00 0.00 N ATOM 918 CA ALA A 204 13.947 -4.286 1.876 1.00 0.00 C ATOM 919 C ALA A 204 14.028 -3.165 0.839 1.00 0.00 C ATOM 920 O ALA A 204 15.101 -2.883 0.306 1.00 0.00 O ATOM 921 CB ALA A 204 13.781 -5.665 1.232 1.00 0.00 C ATOM 0 H ALA A 204 12.005 -4.601 2.595 1.00 0.00 H new ATOM 0 HA ALA A 204 14.888 -4.294 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.617 -5.856 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.759 -6.429 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.848 -5.694 0.668 1.00 0.00 H new ATOM 927 N LEU A 205 12.880 -2.554 0.584 1.00 0.00 N ATOM 928 CA LEU A 205 12.808 -1.469 -0.381 1.00 0.00 C ATOM 929 C LEU A 205 13.594 -0.269 0.149 1.00 0.00 C ATOM 930 O LEU A 205 14.767 -0.096 -0.179 1.00 0.00 O ATOM 931 CB LEU A 205 11.351 -1.149 -0.718 1.00 0.00 C ATOM 932 CG LEU A 205 10.937 -1.366 -2.175 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.338 -2.761 -2.373 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.987 -0.264 -2.646 1.00 0.00 C ATOM 0 H LEU A 205 11.993 -2.789 1.028 1.00 0.00 H new ATOM 0 HA LEU A 205 13.272 -1.764 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.709 -1.760 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.159 -0.108 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 205 11.831 -1.307 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.052 -2.889 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.077 -3.516 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.458 -2.872 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.709 -0.443 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.091 -0.266 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.483 0.703 -2.565 1.00 0.00 H new ATOM 946 N GLY A 206 12.917 0.530 0.960 1.00 0.00 N ATOM 947 CA GLY A 206 13.537 1.710 1.540 1.00 0.00 C ATOM 948 C GLY A 206 12.545 2.478 2.414 1.00 0.00 C ATOM 949 O GLY A 206 11.335 2.386 2.214 1.00 0.00 O ATOM 0 H GLY A 206 11.944 0.384 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.400 1.415 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.905 2.359 0.746 1.00 0.00 H new ATOM 953 N PRO A 207 13.108 3.239 3.391 1.00 0.00 N ATOM 954 CA PRO A 207 12.286 4.022 4.297 1.00 0.00 C ATOM 955 C PRO A 207 11.734 5.267 3.598 1.00 0.00 C ATOM 956 O PRO A 207 11.963 6.389 4.048 1.00 0.00 O ATOM 957 CB PRO A 207 13.197 4.353 5.467 1.00 0.00 C ATOM 958 CG PRO A 207 14.615 4.144 4.965 1.00 0.00 C ATOM 959 CD PRO A 207 14.537 3.372 3.656 1.00 0.00 C ATOM 0 HA PRO A 207 11.403 3.482 4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.048 5.380 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.986 3.708 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.112 5.102 4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.203 3.593 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.041 3.906 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 207 15.017 2.397 3.742 1.00 0.00 H new ATOM 967 N GLY A 208 11.019 5.027 2.509 1.00 0.00 N ATOM 968 CA GLY A 208 10.431 6.114 1.744 1.00 0.00 C ATOM 969 C GLY A 208 10.644 5.905 0.244 1.00 0.00 C ATOM 970 O GLY A 208 11.184 6.774 -0.438 1.00 0.00 O ATOM 0 H GLY A 208 10.833 4.095 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.364 6.179 1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.876 7.061 2.050 1.00 0.00 H new ATOM 974 N ALA A 209 10.207 4.745 -0.228 1.00 0.00 N ATOM 975 CA ALA A 209 10.342 4.411 -1.635 1.00 0.00 C ATOM 976 C ALA A 209 9.223 5.092 -2.426 1.00 0.00 C ATOM 977 O ALA A 209 8.252 5.575 -1.846 1.00 0.00 O ATOM 978 CB ALA A 209 10.330 2.890 -1.801 1.00 0.00 C ATOM 0 H ALA A 209 9.759 4.026 0.340 1.00 0.00 H new ATOM 0 HA ALA A 209 11.292 4.775 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.431 2.638 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.160 2.457 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.390 2.490 -1.421 1.00 0.00 H new ATOM 984 N THR A 210 9.397 5.111 -3.739 1.00 0.00 N ATOM 985 CA THR A 210 8.416 5.726 -4.616 1.00 0.00 C ATOM 986 C THR A 210 7.176 4.837 -4.733 1.00 0.00 C ATOM 987 O THR A 210 7.261 3.621 -4.579 1.00 0.00 O ATOM 988 CB THR A 210 9.091 6.005 -5.960 1.00 0.00 C ATOM 989 OG1 THR A 210 9.366 7.403 -5.925 1.00 0.00 O ATOM 990 CG2 THR A 210 8.132 5.844 -7.142 1.00 0.00 C ATOM 0 H THR A 210 10.204 4.710 -4.217 1.00 0.00 H new ATOM 0 HA THR A 210 8.063 6.674 -4.211 1.00 0.00 H new ATOM 0 HB THR A 210 9.939 5.333 -6.087 1.00 0.00 H new ATOM 0 HG1 THR A 210 9.806 7.671 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.662 6.053 -8.071 1.00 0.00 H new ATOM 0 HG22 THR A 210 7.750 4.823 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.301 6.540 -7.033 1.00 0.00 H new ATOM 998 N LEU A 211 6.049 5.482 -5.003 1.00 0.00 N ATOM 999 CA LEU A 211 4.792 4.766 -5.142 1.00 0.00 C ATOM 1000 C LEU A 211 4.977 3.607 -6.124 1.00 0.00 C ATOM 1001 O LEU A 211 4.521 2.493 -5.868 1.00 0.00 O ATOM 1002 CB LEU A 211 3.668 5.728 -5.531 1.00 0.00 C ATOM 1003 CG LEU A 211 2.662 6.064 -4.428 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.813 4.844 -4.070 1.00 0.00 C ATOM 1005 CD2 LEU A 211 3.366 6.651 -3.204 1.00 0.00 C ATOM 0 H LEU A 211 5.981 6.492 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 211 4.493 4.332 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 211 4.117 6.657 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.125 5.299 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 211 1.983 6.828 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.107 5.110 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.266 4.510 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.460 4.040 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 211 2.628 6.881 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 211 4.082 5.928 -2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 211 3.890 7.564 -3.488 1.00 0.00 H new ATOM 1017 N GLU A 212 5.645 3.908 -7.228 1.00 0.00 N ATOM 1018 CA GLU A 212 5.895 2.905 -8.248 1.00 0.00 C ATOM 1019 C GLU A 212 6.731 1.759 -7.674 1.00 0.00 C ATOM 1020 O GLU A 212 6.560 0.606 -8.064 1.00 0.00 O ATOM 1021 CB GLU A 212 6.580 3.524 -9.469 1.00 0.00 C ATOM 1022 CG GLU A 212 6.173 2.798 -10.752 1.00 0.00 C ATOM 1023 CD GLU A 212 5.741 3.792 -11.832 1.00 0.00 C ATOM 1024 OE1 GLU A 212 4.587 3.755 -12.282 1.00 0.00 O ATOM 1025 OE2 GLU A 212 6.654 4.627 -12.202 1.00 0.00 O ATOM 0 H GLU A 212 6.021 4.833 -7.438 1.00 0.00 H new ATOM 0 HA GLU A 212 4.937 2.501 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.315 4.579 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.662 3.476 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.009 2.200 -11.116 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.356 2.108 -10.540 1.00 0.00 H new ATOM 1033 N GLU A 213 7.616 2.118 -6.756 1.00 0.00 N ATOM 1034 CA GLU A 213 8.478 1.134 -6.124 1.00 0.00 C ATOM 1035 C GLU A 213 7.672 0.265 -5.156 1.00 0.00 C ATOM 1036 O GLU A 213 7.853 -0.951 -5.110 1.00 0.00 O ATOM 1037 CB GLU A 213 9.649 1.810 -5.406 1.00 0.00 C ATOM 1038 CG GLU A 213 10.931 0.989 -5.553 1.00 0.00 C ATOM 1039 CD GLU A 213 12.166 1.892 -5.543 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.199 2.905 -6.255 1.00 0.00 O ATOM 1041 OE2 GLU A 213 13.115 1.508 -4.756 1.00 0.00 O ATOM 0 H GLU A 213 7.755 3.076 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 213 8.892 0.492 -6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.804 2.808 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.411 1.932 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.999 0.266 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.899 0.422 -6.483 1.00 0.00 H new ATOM 1049 N MET A 214 6.800 0.922 -4.406 1.00 0.00 N ATOM 1050 CA MET A 214 5.966 0.225 -3.442 1.00 0.00 C ATOM 1051 C MET A 214 5.003 -0.735 -4.144 1.00 0.00 C ATOM 1052 O MET A 214 4.871 -1.889 -3.744 1.00 0.00 O ATOM 1053 CB MET A 214 5.167 1.244 -2.627 1.00 0.00 C ATOM 1054 CG MET A 214 6.028 1.853 -1.519 1.00 0.00 C ATOM 1055 SD MET A 214 5.971 3.634 -1.611 1.00 0.00 S ATOM 1056 CE MET A 214 6.941 4.052 -0.171 1.00 0.00 C ATOM 0 H MET A 214 6.653 1.931 -4.446 1.00 0.00 H new ATOM 0 HA MET A 214 6.612 -0.355 -2.783 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.800 2.033 -3.283 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.293 0.761 -2.190 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.671 1.519 -0.545 1.00 0.00 H new ATOM 0 HG3 MET A 214 7.058 1.508 -1.616 1.00 0.00 H new ATOM 0 HE1 MET A 214 6.918 5.131 -0.017 1.00 0.00 H new ATOM 0 HE2 MET A 214 6.527 3.552 0.704 1.00 0.00 H new ATOM 0 HE3 MET A 214 7.971 3.729 -0.320 1.00 0.00 H new ATOM 1066 N MET A 215 4.355 -0.220 -5.179 1.00 0.00 N ATOM 1067 CA MET A 215 3.408 -1.018 -5.940 1.00 0.00 C ATOM 1068 C MET A 215 4.122 -2.123 -6.719 1.00 0.00 C ATOM 1069 O MET A 215 3.564 -3.198 -6.930 1.00 0.00 O ATOM 1070 CB MET A 215 2.649 -0.114 -6.916 1.00 0.00 C ATOM 1071 CG MET A 215 3.504 0.205 -8.144 1.00 0.00 C ATOM 1072 SD MET A 215 2.570 1.201 -9.295 1.00 0.00 S ATOM 1073 CE MET A 215 2.928 0.335 -10.815 1.00 0.00 C ATOM 0 H MET A 215 4.467 0.739 -5.508 1.00 0.00 H new ATOM 0 HA MET A 215 2.711 -1.484 -5.243 1.00 0.00 H new ATOM 0 HB2 MET A 215 1.726 -0.603 -7.228 1.00 0.00 H new ATOM 0 HB3 MET A 215 2.366 0.812 -6.415 1.00 0.00 H new ATOM 0 HG2 MET A 215 4.407 0.735 -7.841 1.00 0.00 H new ATOM 0 HG3 MET A 215 3.823 -0.719 -8.626 1.00 0.00 H new ATOM 0 HE1 MET A 215 2.508 0.887 -11.656 1.00 0.00 H new ATOM 0 HE2 MET A 215 4.007 0.250 -10.940 1.00 0.00 H new ATOM 0 HE3 MET A 215 2.487 -0.661 -10.779 1.00 0.00 H new ATOM 1083 N THR A 216 5.348 -1.821 -7.122 1.00 0.00 N ATOM 1084 CA THR A 216 6.144 -2.777 -7.873 1.00 0.00 C ATOM 1085 C THR A 216 6.522 -3.967 -6.989 1.00 0.00 C ATOM 1086 O THR A 216 6.529 -5.108 -7.447 1.00 0.00 O ATOM 1087 CB THR A 216 7.355 -2.037 -8.445 1.00 0.00 C ATOM 1088 OG1 THR A 216 6.910 -1.570 -9.715 1.00 0.00 O ATOM 1089 CG2 THR A 216 8.514 -2.979 -8.778 1.00 0.00 C ATOM 0 H THR A 216 5.809 -0.929 -6.943 1.00 0.00 H new ATOM 0 HA THR A 216 5.578 -3.197 -8.705 1.00 0.00 H new ATOM 0 HB THR A 216 7.692 -1.287 -7.730 1.00 0.00 H new ATOM 0 HG1 THR A 216 6.615 -0.639 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 216 9.347 -2.403 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 216 8.834 -3.496 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.188 -3.710 -9.518 1.00 0.00 H new ATOM 1097 N ALA A 217 6.826 -3.660 -5.737 1.00 0.00 N ATOM 1098 CA ALA A 217 7.204 -4.690 -4.784 1.00 0.00 C ATOM 1099 C ALA A 217 5.969 -5.514 -4.414 1.00 0.00 C ATOM 1100 O ALA A 217 6.054 -6.731 -4.257 1.00 0.00 O ATOM 1101 CB ALA A 217 7.859 -4.041 -3.563 1.00 0.00 C ATOM 0 H ALA A 217 6.818 -2.712 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 217 7.935 -5.369 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.142 -4.814 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.747 -3.492 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.154 -3.354 -3.094 1.00 0.00 H new ATOM 1107 N CYS A 218 4.848 -4.817 -4.287 1.00 0.00 N ATOM 1108 CA CYS A 218 3.597 -5.469 -3.939 1.00 0.00 C ATOM 1109 C CYS A 218 3.237 -6.447 -5.059 1.00 0.00 C ATOM 1110 O CYS A 218 2.885 -7.596 -4.796 1.00 0.00 O ATOM 1111 CB CYS A 218 2.482 -4.453 -3.687 1.00 0.00 C ATOM 1112 SG CYS A 218 1.103 -5.249 -2.784 1.00 0.00 S ATOM 0 H CYS A 218 4.781 -3.808 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 218 3.717 -6.018 -3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.868 -3.612 -3.110 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.123 -4.052 -4.635 1.00 0.00 H new ATOM 0 HG CYS A 218 0.314 -4.335 -2.302 1.00 0.00 H new ATOM 1118 N GLN A 219 3.338 -5.956 -6.286 1.00 0.00 N ATOM 1119 CA GLN A 219 3.028 -6.771 -7.448 1.00 0.00 C ATOM 1120 C GLN A 219 3.976 -7.970 -7.522 1.00 0.00 C ATOM 1121 O GLN A 219 3.608 -9.026 -8.035 1.00 0.00 O ATOM 1122 CB GLN A 219 3.089 -5.943 -8.731 1.00 0.00 C ATOM 1123 CG GLN A 219 1.778 -6.045 -9.514 1.00 0.00 C ATOM 1124 CD GLN A 219 1.981 -5.657 -10.979 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.015 -5.145 -11.376 1.00 0.00 O ATOM 1126 NE2 GLN A 219 0.940 -5.929 -11.760 1.00 0.00 N ATOM 0 H GLN A 219 3.631 -5.003 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 219 2.009 -7.144 -7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 219 3.290 -4.900 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 219 3.915 -6.289 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 219 1.393 -7.063 -9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.029 -5.394 -9.062 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.104 -6.359 -11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 219 0.978 -5.708 -12.755 1.00 0.00 H new ATOM 1135 N GLY A 220 5.179 -7.768 -7.003 1.00 0.00 N ATOM 1136 CA GLY A 220 6.181 -8.818 -7.005 1.00 0.00 C ATOM 1137 C GLY A 220 5.842 -9.902 -5.979 1.00 0.00 C ATOM 1138 O GLY A 220 6.235 -11.057 -6.138 1.00 0.00 O ATOM 0 H GLY A 220 5.481 -6.891 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.247 -9.261 -7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.159 -8.393 -6.780 1.00 0.00 H new ATOM 1142 N VAL A 221 5.116 -9.492 -4.950 1.00 0.00 N ATOM 1143 CA VAL A 221 4.720 -10.412 -3.899 1.00 0.00 C ATOM 1144 C VAL A 221 4.192 -11.702 -4.529 1.00 0.00 C ATOM 1145 O VAL A 221 3.623 -11.678 -5.618 1.00 0.00 O ATOM 1146 CB VAL A 221 3.704 -9.742 -2.971 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.282 -9.896 -3.513 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.811 -10.295 -1.549 1.00 0.00 C ATOM 0 H VAL A 221 4.791 -8.534 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 221 5.578 -10.678 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 221 3.936 -8.678 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.580 -9.411 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.215 -9.432 -4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.036 -10.955 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 221 3.078 -9.802 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.619 -11.368 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.813 -10.110 -1.161 1.00 0.00 H new