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 155 GLN : amide:sc= -2.61! C(o=-3.2!,f=-16!) USER MOD Set 1.2: A 198 CYS SG : rot 117:sc= 0.279 USER MOD Set 1.3: A 218 CYS SG : rot 169:sc= -0.903 USER MOD Single : A 149 SER OG : rot 140:sc= -1.34 USER MOD Single : A 164 TYR OH : rot 172:sc= 0.558 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.898 USER MOD Single : A 170 LYS NZ :NH3+ -168:sc= 0.00212 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 81:sc= -1.09 USER MOD Single : A 186 THR OG1 : rot -25:sc= 0.684 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.592 K(o=-0.59,f=-5.4!) USER MOD Single : A 193 ASN :FLIP amide:sc= -4.35! C(o=-6.3!,f=-4.3!) USER MOD Single : A 195 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.4!) 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+ -148:sc= -0.612 (180deg=-2.11!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 214 MET CE :methyl -175:sc= 0 (180deg=-0.00593) 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= -0.0884 K(o=-0.088,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.427 5.033 7.010 1.00 0.00 N ATOM 16 CA SER A 149 -12.155 5.418 7.598 1.00 0.00 C ATOM 17 C SER A 149 -11.004 4.934 6.715 1.00 0.00 C ATOM 18 O SER A 149 -11.231 4.334 5.666 1.00 0.00 O ATOM 19 CB SER A 149 -12.009 4.853 9.014 1.00 0.00 C ATOM 20 OG SER A 149 -10.991 5.521 9.753 1.00 0.00 O ATOM 0 HA SER A 149 -12.124 6.506 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.959 4.945 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.777 3.789 8.958 1.00 0.00 H new ATOM 0 HG SER A 149 -11.290 5.652 10.677 1.00 0.00 H new ATOM 26 N ILE A 150 -9.791 5.214 7.171 1.00 0.00 N ATOM 27 CA ILE A 150 -8.603 4.816 6.435 1.00 0.00 C ATOM 28 C ILE A 150 -8.238 3.377 6.805 1.00 0.00 C ATOM 29 O ILE A 150 -7.547 2.695 6.050 1.00 0.00 O ATOM 30 CB ILE A 150 -7.470 5.818 6.666 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.972 7.256 6.530 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.289 5.533 5.735 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.266 7.600 5.068 1.00 0.00 C ATOM 0 H ILE A 150 -9.606 5.712 8.042 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.796 4.830 5.362 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.112 5.698 7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.875 7.387 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.225 7.944 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.497 6.259 5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.911 4.528 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.617 5.609 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.621 8.628 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.356 7.491 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -9.031 6.926 4.682 1.00 0.00 H new ATOM 45 N LEU A 151 -8.717 2.959 7.968 1.00 0.00 N ATOM 46 CA LEU A 151 -8.449 1.615 8.447 1.00 0.00 C ATOM 47 C LEU A 151 -9.122 0.603 7.517 1.00 0.00 C ATOM 48 O LEU A 151 -8.635 -0.515 7.352 1.00 0.00 O ATOM 49 CB LEU A 151 -8.867 1.475 9.912 1.00 0.00 C ATOM 50 CG LEU A 151 -10.327 1.806 10.228 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.062 0.578 10.771 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.425 2.999 11.180 1.00 0.00 C ATOM 0 H LEU A 151 -9.289 3.528 8.592 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.379 1.409 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.671 0.451 10.229 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.230 2.123 10.514 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.821 2.093 9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.098 0.840 10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.037 -0.219 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.575 0.237 11.685 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.473 3.213 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.911 2.764 12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.961 3.871 10.719 1.00 0.00 H new ATOM 64 N ASP A 152 -10.231 1.031 6.931 1.00 0.00 N ATOM 65 CA ASP A 152 -10.975 0.176 6.022 1.00 0.00 C ATOM 66 C ASP A 152 -10.175 -0.007 4.732 1.00 0.00 C ATOM 67 O ASP A 152 -10.439 -0.927 3.958 1.00 0.00 O ATOM 68 CB ASP A 152 -12.323 0.802 5.657 1.00 0.00 C ATOM 69 CG ASP A 152 -13.340 -0.162 5.045 1.00 0.00 C ATOM 70 OD1 ASP A 152 -12.984 -1.255 4.579 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.562 0.251 5.059 1.00 0.00 O ATOM 0 H ASP A 152 -10.632 1.959 7.068 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.143 -0.779 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.757 1.242 6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.149 1.617 4.954 1.00 0.00 H new ATOM 77 N ILE A 153 -9.210 0.880 4.539 1.00 0.00 N ATOM 78 CA ILE A 153 -8.369 0.827 3.357 1.00 0.00 C ATOM 79 C ILE A 153 -7.237 -0.176 3.584 1.00 0.00 C ATOM 80 O ILE A 153 -6.288 0.108 4.313 1.00 0.00 O ATOM 81 CB ILE A 153 -7.882 2.229 2.981 1.00 0.00 C ATOM 82 CG1 ILE A 153 -9.046 3.110 2.523 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.769 2.160 1.934 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.154 3.145 3.579 1.00 0.00 C ATOM 0 H ILE A 153 -8.992 1.640 5.183 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.941 0.473 2.500 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.458 2.693 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.688 4.122 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.446 2.731 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.441 3.169 1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.928 1.594 2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.144 1.668 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.970 3.778 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.526 2.135 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.756 3.547 4.511 1.00 0.00 H new ATOM 96 N ARG A 154 -7.375 -1.330 2.949 1.00 0.00 N ATOM 97 CA ARG A 154 -6.376 -2.378 3.073 1.00 0.00 C ATOM 98 C ARG A 154 -6.099 -3.013 1.709 1.00 0.00 C ATOM 99 O ARG A 154 -6.871 -2.832 0.768 1.00 0.00 O ATOM 100 CB ARG A 154 -6.835 -3.462 4.050 1.00 0.00 C ATOM 101 CG ARG A 154 -8.089 -4.171 3.533 1.00 0.00 C ATOM 102 CD ARG A 154 -8.109 -5.637 3.968 1.00 0.00 C ATOM 103 NE ARG A 154 -8.379 -6.507 2.801 1.00 0.00 N ATOM 104 CZ ARG A 154 -9.485 -6.420 2.032 1.00 0.00 C ATOM 105 NH1 ARG A 154 -10.434 -5.500 2.300 1.00 0.00 N ATOM 106 NH2 ARG A 154 -9.622 -7.249 1.014 1.00 0.00 N ATOM 0 H ARG A 154 -8.164 -1.563 2.346 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.463 -1.922 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.035 -4.189 4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.040 -3.016 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.978 -3.665 3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.123 -4.110 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.153 -5.905 4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -8.874 -5.789 4.730 1.00 0.00 H new ATOM 0 HE ARG A 154 -7.686 -7.217 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -10.319 -4.863 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -11.267 -5.441 1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -8.899 -7.941 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -10.451 -7.197 0.422 1.00 0.00 H new ATOM 120 N GLN A 155 -4.998 -3.746 1.644 1.00 0.00 N ATOM 121 CA GLN A 155 -4.610 -4.409 0.411 1.00 0.00 C ATOM 122 C GLN A 155 -4.832 -5.917 0.528 1.00 0.00 C ATOM 123 O GLN A 155 -4.001 -6.630 1.087 1.00 0.00 O ATOM 124 CB GLN A 155 -3.155 -4.095 0.054 1.00 0.00 C ATOM 125 CG GLN A 155 -2.307 -3.919 1.314 1.00 0.00 C ATOM 126 CD GLN A 155 -0.817 -4.074 0.999 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.175 -5.043 1.369 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.306 -3.067 0.295 1.00 0.00 N ATOM 0 H GLN A 155 -4.361 -3.896 2.427 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.237 -4.030 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.744 -4.900 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.112 -3.187 -0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.491 -2.935 1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.603 -4.655 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.900 -2.286 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.680 -3.076 0.033 1.00 0.00 H new ATOM 196 N PRO A 160 -5.634 -5.844 -5.976 1.00 0.00 N ATOM 197 CA PRO A 160 -4.379 -5.263 -6.425 1.00 0.00 C ATOM 198 C PRO A 160 -3.957 -4.107 -5.516 1.00 0.00 C ATOM 199 O PRO A 160 -4.791 -3.503 -4.843 1.00 0.00 O ATOM 200 CB PRO A 160 -4.639 -4.829 -7.858 1.00 0.00 C ATOM 201 CG PRO A 160 -6.150 -4.758 -8.006 1.00 0.00 C ATOM 202 CD PRO A 160 -6.769 -5.471 -6.815 1.00 0.00 C ATOM 0 HA PRO A 160 -3.548 -5.966 -6.381 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.181 -3.861 -8.062 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.211 -5.540 -8.565 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.481 -3.720 -8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.465 -5.228 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.460 -4.820 -6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.335 -6.348 -7.129 1.00 0.00 H new ATOM 210 N PHE A 161 -2.660 -3.832 -5.528 1.00 0.00 N ATOM 211 CA PHE A 161 -2.116 -2.758 -4.713 1.00 0.00 C ATOM 212 C PHE A 161 -2.591 -1.394 -5.217 1.00 0.00 C ATOM 213 O PHE A 161 -2.790 -0.472 -4.427 1.00 0.00 O ATOM 214 CB PHE A 161 -0.593 -2.833 -4.837 1.00 0.00 C ATOM 215 CG PHE A 161 0.151 -1.801 -3.985 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.113 -1.887 -2.628 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.848 -0.801 -4.583 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.803 -0.930 -1.837 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.538 0.156 -3.793 1.00 0.00 C ATOM 220 CZ PHE A 161 1.502 0.070 -2.436 1.00 0.00 C ATOM 0 H PHE A 161 -1.971 -4.334 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.447 -2.868 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.264 -3.832 -4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.316 -2.694 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.441 -2.682 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 161 0.878 -0.733 -5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.772 -0.997 -0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.091 0.952 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.029 0.796 -1.835 1.00 0.00 H new ATOM 230 N ARG A 162 -2.760 -1.308 -6.528 1.00 0.00 N ATOM 231 CA ARG A 162 -3.208 -0.072 -7.146 1.00 0.00 C ATOM 232 C ARG A 162 -4.592 0.313 -6.620 1.00 0.00 C ATOM 233 O ARG A 162 -4.830 1.470 -6.279 1.00 0.00 O ATOM 234 CB ARG A 162 -3.267 -0.207 -8.668 1.00 0.00 C ATOM 235 CG ARG A 162 -2.779 1.073 -9.352 1.00 0.00 C ATOM 236 CD ARG A 162 -2.964 0.988 -10.868 1.00 0.00 C ATOM 237 NE ARG A 162 -3.344 2.313 -11.406 1.00 0.00 N ATOM 238 CZ ARG A 162 -4.016 2.497 -12.563 1.00 0.00 C ATOM 239 NH1 ARG A 162 -4.390 1.439 -13.312 1.00 0.00 N ATOM 240 NH2 ARG A 162 -4.304 3.726 -12.947 1.00 0.00 N ATOM 0 H ARG A 162 -2.595 -2.075 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.489 0.706 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.653 -1.050 -8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.290 -0.422 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.328 1.930 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.727 1.236 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.041 0.647 -11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.733 0.254 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.082 3.140 -10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.166 0.492 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.897 1.586 -14.185 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -4.020 4.520 -12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.811 3.883 -13.818 1.00 0.00 H new ATOM 254 N ASP A 163 -5.468 -0.679 -6.572 1.00 0.00 N ATOM 255 CA ASP A 163 -6.823 -0.460 -6.093 1.00 0.00 C ATOM 256 C ASP A 163 -6.780 -0.062 -4.617 1.00 0.00 C ATOM 257 O ASP A 163 -7.564 0.775 -4.172 1.00 0.00 O ATOM 258 CB ASP A 163 -7.664 -1.731 -6.217 1.00 0.00 C ATOM 259 CG ASP A 163 -8.310 -1.950 -7.588 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.679 -1.732 -8.633 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.530 -2.366 -7.555 1.00 0.00 O ATOM 0 H ASP A 163 -5.266 -1.637 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.271 0.328 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.033 -2.590 -5.989 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.450 -1.703 -5.462 1.00 0.00 H new ATOM 267 N TYR A 164 -5.855 -0.683 -3.898 1.00 0.00 N ATOM 268 CA TYR A 164 -5.699 -0.405 -2.480 1.00 0.00 C ATOM 269 C TYR A 164 -5.243 1.038 -2.251 1.00 0.00 C ATOM 270 O TYR A 164 -5.759 1.724 -1.371 1.00 0.00 O ATOM 271 CB TYR A 164 -4.612 -1.358 -1.981 1.00 0.00 C ATOM 272 CG TYR A 164 -4.037 -0.983 -0.612 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.886 -0.729 0.445 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.671 -0.900 -0.437 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.345 -0.377 1.734 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.131 -0.548 0.850 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.995 -0.304 1.873 1.00 0.00 C ATOM 278 OH TYR A 164 -2.484 0.027 3.089 1.00 0.00 O ATOM 0 H TYR A 164 -5.207 -1.377 -4.271 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.645 -0.540 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -5.023 -2.366 -1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.802 -1.383 -2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.955 -0.794 0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -2.007 -1.099 -1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -4.998 -0.176 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.064 -0.479 1.001 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.510 -0.084 3.076 1.00 0.00 H new ATOM 288 N VAL A 165 -4.280 1.454 -3.059 1.00 0.00 N ATOM 289 CA VAL A 165 -3.747 2.802 -2.956 1.00 0.00 C ATOM 290 C VAL A 165 -4.851 3.808 -3.288 1.00 0.00 C ATOM 291 O VAL A 165 -4.990 4.830 -2.615 1.00 0.00 O ATOM 292 CB VAL A 165 -2.516 2.949 -3.850 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.272 4.416 -4.211 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.280 2.335 -3.188 1.00 0.00 C ATOM 0 H VAL A 165 -3.855 0.882 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.417 3.005 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.707 2.403 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.390 4.492 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.139 4.809 -4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.113 4.993 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.419 2.453 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.086 2.839 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.454 1.275 -3.005 1.00 0.00 H new ATOM 304 N ASP A 166 -5.608 3.487 -4.327 1.00 0.00 N ATOM 305 CA ASP A 166 -6.695 4.350 -4.757 1.00 0.00 C ATOM 306 C ASP A 166 -7.671 4.551 -3.597 1.00 0.00 C ATOM 307 O ASP A 166 -8.115 5.669 -3.341 1.00 0.00 O ATOM 308 CB ASP A 166 -7.466 3.725 -5.922 1.00 0.00 C ATOM 309 CG ASP A 166 -8.318 4.703 -6.733 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.100 5.923 -6.694 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.253 4.159 -7.435 1.00 0.00 O ATOM 0 H ASP A 166 -5.490 2.641 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.266 5.299 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.754 3.244 -6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.114 2.941 -5.530 1.00 0.00 H new ATOM 317 N ARG A 167 -7.977 3.450 -2.926 1.00 0.00 N ATOM 318 CA ARG A 167 -8.893 3.491 -1.800 1.00 0.00 C ATOM 319 C ARG A 167 -8.305 4.336 -0.668 1.00 0.00 C ATOM 320 O ARG A 167 -9.010 5.137 -0.055 1.00 0.00 O ATOM 321 CB ARG A 167 -9.185 2.083 -1.275 1.00 0.00 C ATOM 322 CG ARG A 167 -10.672 1.915 -0.954 1.00 0.00 C ATOM 323 CD ARG A 167 -11.390 1.155 -2.071 1.00 0.00 C ATOM 324 NE ARG A 167 -12.643 0.561 -1.554 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.691 -0.517 -0.744 1.00 0.00 C ATOM 326 NH1 ARG A 167 -11.556 -1.132 -0.351 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.867 -0.964 -0.341 1.00 0.00 N ATOM 0 H ARG A 167 -7.606 2.524 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.824 3.938 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.884 1.344 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.592 1.895 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.786 1.378 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.132 2.894 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -11.612 1.830 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.742 0.372 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.525 0.994 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.651 -0.783 -0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -11.603 -1.946 0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.721 -0.495 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.921 -1.778 0.272 1.00 0.00 H new ATOM 341 N PHE A 168 -7.019 4.131 -0.425 1.00 0.00 N ATOM 342 CA PHE A 168 -6.328 4.864 0.622 1.00 0.00 C ATOM 343 C PHE A 168 -6.407 6.372 0.378 1.00 0.00 C ATOM 344 O PHE A 168 -6.714 7.137 1.290 1.00 0.00 O ATOM 345 CB PHE A 168 -4.861 4.429 0.580 1.00 0.00 C ATOM 346 CG PHE A 168 -4.006 5.012 1.707 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.431 6.236 1.561 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.824 4.308 2.855 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.639 6.777 2.606 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.030 4.849 3.901 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.454 6.072 3.754 1.00 0.00 C ATOM 0 H PHE A 168 -6.437 3.467 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.787 4.654 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.814 3.341 0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.432 4.725 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.578 6.796 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.283 3.337 2.972 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.183 7.749 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.884 4.289 4.813 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.850 6.483 4.549 1.00 0.00 H new ATOM 361 N TYR A 169 -6.125 6.755 -0.859 1.00 0.00 N ATOM 362 CA TYR A 169 -6.159 8.159 -1.234 1.00 0.00 C ATOM 363 C TYR A 169 -7.600 8.650 -1.384 1.00 0.00 C ATOM 364 O TYR A 169 -7.862 9.850 -1.311 1.00 0.00 O ATOM 365 CB TYR A 169 -5.459 8.249 -2.591 1.00 0.00 C ATOM 366 CG TYR A 169 -3.931 8.213 -2.506 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.303 7.214 -1.791 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.182 9.179 -3.146 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.866 7.180 -1.711 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.744 9.145 -3.067 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.157 8.148 -2.353 1.00 0.00 C ATOM 372 OH TYR A 169 0.200 8.115 -2.278 1.00 0.00 O ATOM 0 H TYR A 169 -5.872 6.118 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.677 8.772 -0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.797 7.424 -3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.764 9.172 -3.085 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.890 6.457 -1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.674 9.961 -3.706 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.362 6.404 -1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.146 9.895 -3.564 1.00 0.00 H new ATOM 0 HH TYR A 169 0.574 8.866 -2.784 1.00 0.00 H new ATOM 382 N LYS A 170 -8.498 7.698 -1.590 1.00 0.00 N ATOM 383 CA LYS A 170 -9.907 8.019 -1.750 1.00 0.00 C ATOM 384 C LYS A 170 -10.492 8.423 -0.396 1.00 0.00 C ATOM 385 O LYS A 170 -11.232 9.400 -0.301 1.00 0.00 O ATOM 386 CB LYS A 170 -10.648 6.859 -2.419 1.00 0.00 C ATOM 387 CG LYS A 170 -10.674 7.029 -3.939 1.00 0.00 C ATOM 388 CD LYS A 170 -10.931 5.691 -4.636 1.00 0.00 C ATOM 389 CE LYS A 170 -12.208 5.748 -5.478 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.399 4.478 -6.215 1.00 0.00 N ATOM 0 H LYS A 170 -8.278 6.704 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.029 8.872 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.163 5.917 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.668 6.806 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.450 7.742 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.725 7.444 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.082 5.439 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.017 4.900 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.067 5.935 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.150 6.579 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.145 4.600 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.510 4.212 -6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.677 3.729 -5.549 1.00 0.00 H new ATOM 404 N THR A 171 -10.135 7.650 0.620 1.00 0.00 N ATOM 405 CA THR A 171 -10.614 7.915 1.966 1.00 0.00 C ATOM 406 C THR A 171 -9.902 9.133 2.555 1.00 0.00 C ATOM 407 O THR A 171 -10.519 9.947 3.240 1.00 0.00 O ATOM 408 CB THR A 171 -10.428 6.642 2.794 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.270 5.686 2.154 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.012 6.768 4.202 1.00 0.00 C ATOM 0 H THR A 171 -9.520 6.841 0.538 1.00 0.00 H new ATOM 0 HA THR A 171 -11.675 8.167 1.966 1.00 0.00 H new ATOM 0 HB THR A 171 -9.366 6.405 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.809 5.315 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.853 5.837 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.519 7.585 4.729 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.081 6.971 4.136 1.00 0.00 H new ATOM 418 N LEU A 172 -8.611 9.220 2.269 1.00 0.00 N ATOM 419 CA LEU A 172 -7.807 10.325 2.763 1.00 0.00 C ATOM 420 C LEU A 172 -8.411 11.645 2.281 1.00 0.00 C ATOM 421 O LEU A 172 -8.505 12.604 3.045 1.00 0.00 O ATOM 422 CB LEU A 172 -6.340 10.139 2.368 1.00 0.00 C ATOM 423 CG LEU A 172 -5.802 11.107 1.313 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.550 12.491 1.915 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.553 10.540 0.636 1.00 0.00 C ATOM 0 H LEU A 172 -8.102 8.543 1.701 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.819 10.348 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.728 10.234 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.210 9.122 1.999 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.561 11.226 0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.168 13.159 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.483 12.891 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.819 12.410 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.190 11.247 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.778 10.372 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.799 9.596 0.151 1.00 0.00 H new ATOM 437 N ARG A 173 -8.806 11.652 1.015 1.00 0.00 N ATOM 438 CA ARG A 173 -9.399 12.837 0.422 1.00 0.00 C ATOM 439 C ARG A 173 -10.841 13.008 0.905 1.00 0.00 C ATOM 440 O ARG A 173 -11.452 14.053 0.685 1.00 0.00 O ATOM 441 CB ARG A 173 -9.385 12.754 -1.105 1.00 0.00 C ATOM 442 CG ARG A 173 -8.337 13.698 -1.698 1.00 0.00 C ATOM 443 CD ARG A 173 -7.532 13.005 -2.797 1.00 0.00 C ATOM 444 NE ARG A 173 -7.904 13.552 -4.121 1.00 0.00 N ATOM 445 CZ ARG A 173 -7.124 13.474 -5.219 1.00 0.00 C ATOM 446 NH1 ARG A 173 -5.918 12.869 -5.161 1.00 0.00 N ATOM 447 NH2 ARG A 173 -7.558 13.999 -6.351 1.00 0.00 N ATOM 0 H ARG A 173 -8.726 10.854 0.384 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.805 13.696 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.174 11.730 -1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.370 13.008 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.828 14.582 -2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.665 14.040 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.466 13.148 -2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.718 11.931 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.807 14.017 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -5.591 12.467 -4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -5.334 12.814 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -8.470 14.454 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.981 13.949 -7.191 1.00 0.00 H new ATOM 461 N ALA A 174 -11.341 11.968 1.553 1.00 0.00 N ATOM 462 CA ALA A 174 -12.699 11.990 2.068 1.00 0.00 C ATOM 463 C ALA A 174 -12.753 12.872 3.317 1.00 0.00 C ATOM 464 O ALA A 174 -13.829 13.289 3.742 1.00 0.00 O ATOM 465 CB ALA A 174 -13.164 10.558 2.345 1.00 0.00 C ATOM 0 H ALA A 174 -10.830 11.104 1.734 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.381 12.418 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.183 10.575 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.136 9.981 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.505 10.097 3.080 1.00 0.00 H new ATOM 630 N THR A 186 1.220 9.334 5.717 1.00 0.00 N ATOM 631 CA THR A 186 0.328 8.585 4.846 1.00 0.00 C ATOM 632 C THR A 186 0.988 7.275 4.409 1.00 0.00 C ATOM 633 O THR A 186 0.455 6.194 4.658 1.00 0.00 O ATOM 634 CB THR A 186 -0.058 9.490 3.675 1.00 0.00 C ATOM 635 OG1 THR A 186 1.175 10.075 3.266 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.908 10.684 4.115 1.00 0.00 C ATOM 0 HA THR A 186 -0.585 8.296 5.367 1.00 0.00 H new ATOM 0 HB THR A 186 -0.604 8.909 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.802 10.077 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 186 -1.155 11.295 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 186 -1.827 10.325 4.579 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.349 11.284 4.833 1.00 0.00 H new ATOM 644 N GLU A 187 2.138 7.414 3.765 1.00 0.00 N ATOM 645 CA GLU A 187 2.875 6.255 3.290 1.00 0.00 C ATOM 646 C GLU A 187 3.034 5.231 4.416 1.00 0.00 C ATOM 647 O GLU A 187 2.946 4.027 4.182 1.00 0.00 O ATOM 648 CB GLU A 187 4.236 6.664 2.726 1.00 0.00 C ATOM 649 CG GLU A 187 4.991 5.451 2.181 1.00 0.00 C ATOM 650 CD GLU A 187 4.713 5.257 0.688 1.00 0.00 C ATOM 651 OE1 GLU A 187 3.739 4.584 0.321 1.00 0.00 O ATOM 652 OE2 GLU A 187 5.552 5.837 -0.101 1.00 0.00 O ATOM 0 H GLU A 187 2.577 8.312 3.561 1.00 0.00 H new ATOM 0 HA GLU A 187 2.308 5.794 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.099 7.398 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.827 7.144 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 187 6.061 5.582 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.694 4.557 2.729 1.00 0.00 H new ATOM 660 N THR A 188 3.266 5.746 5.615 1.00 0.00 N ATOM 661 CA THR A 188 3.438 4.891 6.777 1.00 0.00 C ATOM 662 C THR A 188 2.134 4.158 7.098 1.00 0.00 C ATOM 663 O THR A 188 2.155 3.015 7.551 1.00 0.00 O ATOM 664 CB THR A 188 3.948 5.758 7.930 1.00 0.00 C ATOM 665 OG1 THR A 188 4.979 4.975 8.524 1.00 0.00 O ATOM 666 CG2 THR A 188 2.911 5.918 9.044 1.00 0.00 C ATOM 0 H THR A 188 3.339 6.745 5.807 1.00 0.00 H new ATOM 0 HA THR A 188 4.174 4.110 6.588 1.00 0.00 H new ATOM 0 HB THR A 188 4.227 6.741 7.550 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.366 5.463 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.323 6.542 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.014 6.388 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.657 4.938 9.448 1.00 0.00 H new ATOM 674 N LEU A 189 1.030 4.846 6.849 1.00 0.00 N ATOM 675 CA LEU A 189 -0.281 4.275 7.106 1.00 0.00 C ATOM 676 C LEU A 189 -0.574 3.193 6.065 1.00 0.00 C ATOM 677 O LEU A 189 -1.024 2.100 6.410 1.00 0.00 O ATOM 678 CB LEU A 189 -1.344 5.374 7.164 1.00 0.00 C ATOM 679 CG LEU A 189 -1.850 5.744 8.560 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.683 5.992 9.518 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.804 6.940 8.498 1.00 0.00 C ATOM 0 H LEU A 189 1.016 5.794 6.472 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.300 3.793 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.937 6.271 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.196 5.060 6.562 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.416 4.900 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.070 6.253 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.077 5.089 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -0.070 6.810 9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.149 7.183 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -2.283 7.799 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.660 6.691 7.871 1.00 0.00 H new ATOM 693 N LEU A 190 -0.308 3.533 4.813 1.00 0.00 N ATOM 694 CA LEU A 190 -0.537 2.604 3.720 1.00 0.00 C ATOM 695 C LEU A 190 0.266 1.325 3.966 1.00 0.00 C ATOM 696 O LEU A 190 -0.242 0.221 3.774 1.00 0.00 O ATOM 697 CB LEU A 190 -0.232 3.271 2.377 1.00 0.00 C ATOM 698 CG LEU A 190 -0.338 2.373 1.142 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.622 2.662 0.362 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.908 2.501 0.264 1.00 0.00 C ATOM 0 H LEU A 190 0.064 4.440 4.531 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.588 2.318 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.913 4.113 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.777 3.681 2.418 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.392 1.337 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.672 2.010 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.485 2.479 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.624 3.703 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.808 1.853 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.018 3.535 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.788 2.207 0.836 1.00 0.00 H new ATOM 712 N VAL A 191 1.507 1.516 4.389 1.00 0.00 N ATOM 713 CA VAL A 191 2.385 0.391 4.664 1.00 0.00 C ATOM 714 C VAL A 191 1.878 -0.357 5.898 1.00 0.00 C ATOM 715 O VAL A 191 1.775 -1.583 5.888 1.00 0.00 O ATOM 716 CB VAL A 191 3.828 0.877 4.811 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.722 -0.224 5.384 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.374 1.387 3.477 1.00 0.00 C ATOM 0 H VAL A 191 1.925 2.433 4.548 1.00 0.00 H new ATOM 0 HA VAL A 191 2.376 -0.312 3.831 1.00 0.00 H new ATOM 0 HB VAL A 191 3.830 1.710 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.742 0.148 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.351 -0.520 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.710 -1.086 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.401 1.726 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.350 0.582 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.760 2.217 3.126 1.00 0.00 H new ATOM 728 N GLN A 192 1.572 0.412 6.933 1.00 0.00 N ATOM 729 CA GLN A 192 1.076 -0.163 8.172 1.00 0.00 C ATOM 730 C GLN A 192 -0.269 -0.853 7.937 1.00 0.00 C ATOM 731 O GLN A 192 -0.538 -1.907 8.512 1.00 0.00 O ATOM 732 CB GLN A 192 0.962 0.904 9.264 1.00 0.00 C ATOM 733 CG GLN A 192 0.405 0.306 10.558 1.00 0.00 C ATOM 734 CD GLN A 192 -1.066 0.686 10.746 1.00 0.00 C ATOM 735 OE1 GLN A 192 -1.930 0.334 9.959 1.00 0.00 O ATOM 736 NE2 GLN A 192 -1.300 1.419 11.831 1.00 0.00 N ATOM 0 H GLN A 192 1.658 1.428 6.939 1.00 0.00 H new ATOM 0 HA GLN A 192 1.791 -0.912 8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.942 1.342 9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.313 1.711 8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.504 -0.779 10.534 1.00 0.00 H new ATOM 0 HG3 GLN A 192 0.988 0.661 11.408 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -0.530 1.678 12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -2.250 1.722 12.047 1.00 0.00 H new ATOM 745 N ASN A 193 -1.077 -0.231 7.092 1.00 0.00 N ATOM 746 CA ASN A 193 -2.388 -0.772 6.773 1.00 0.00 C ATOM 747 C ASN A 193 -2.257 -1.764 5.617 1.00 0.00 C ATOM 748 O ASN A 193 -3.260 -2.205 5.058 1.00 0.00 O ATOM 749 CB ASN A 193 -3.351 0.335 6.342 1.00 0.00 C ATOM 750 CG ASN A 193 -4.803 -0.139 6.423 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.680 0.837 6.635 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.107 -1.314 6.300 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.850 0.643 6.618 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.778 -1.260 7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.214 1.209 6.979 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.122 0.644 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.383 -2.014 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.085 -1.596 6.358 1.00 0.00 H new ATOM 759 N ALA A 194 -1.014 -2.086 5.291 1.00 0.00 N ATOM 760 CA ALA A 194 -0.740 -3.017 4.210 1.00 0.00 C ATOM 761 C ALA A 194 -0.481 -4.407 4.794 1.00 0.00 C ATOM 762 O ALA A 194 -0.076 -4.535 5.950 1.00 0.00 O ATOM 763 CB ALA A 194 0.439 -2.505 3.381 1.00 0.00 C ATOM 0 H ALA A 194 -0.185 -1.718 5.757 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.599 -3.094 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.644 -3.204 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.194 -1.528 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.320 -2.418 4.017 1.00 0.00 H new ATOM 769 N ASN A 195 -0.727 -5.416 3.971 1.00 0.00 N ATOM 770 CA ASN A 195 -0.526 -6.793 4.391 1.00 0.00 C ATOM 771 C ASN A 195 0.829 -6.915 5.091 1.00 0.00 C ATOM 772 O ASN A 195 1.617 -5.971 5.094 1.00 0.00 O ATOM 773 CB ASN A 195 -0.526 -7.740 3.190 1.00 0.00 C ATOM 774 CG ASN A 195 -1.653 -8.768 3.302 1.00 0.00 C ATOM 775 OD1 ASN A 195 -1.477 -9.950 3.060 1.00 0.00 O ATOM 776 ND2 ASN A 195 -2.818 -8.251 3.682 1.00 0.00 N ATOM 0 H ASN A 195 -1.064 -5.307 3.014 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.340 -7.064 5.063 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.642 -7.167 2.270 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.434 -8.253 3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -3.634 -8.854 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -2.896 -7.251 3.869 1.00 0.00 H new ATOM 783 N PRO A 196 1.063 -8.116 5.683 1.00 0.00 N ATOM 784 CA PRO A 196 2.309 -8.373 6.385 1.00 0.00 C ATOM 785 C PRO A 196 3.459 -8.596 5.399 1.00 0.00 C ATOM 786 O PRO A 196 4.493 -7.935 5.486 1.00 0.00 O ATOM 787 CB PRO A 196 2.028 -9.589 7.253 1.00 0.00 C ATOM 788 CG PRO A 196 0.791 -10.245 6.662 1.00 0.00 C ATOM 789 CD PRO A 196 0.153 -9.256 5.701 1.00 0.00 C ATOM 0 HA PRO A 196 2.629 -7.529 6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.874 -10.276 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.859 -9.298 8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.058 -11.165 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.090 -10.517 7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.039 -9.688 4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.842 -8.963 6.037 1.00 0.00 H new ATOM 797 N ASP A 197 3.238 -9.528 4.485 1.00 0.00 N ATOM 798 CA ASP A 197 4.242 -9.846 3.483 1.00 0.00 C ATOM 799 C ASP A 197 4.700 -8.557 2.799 1.00 0.00 C ATOM 800 O ASP A 197 5.898 -8.322 2.647 1.00 0.00 O ATOM 801 CB ASP A 197 3.672 -10.774 2.408 1.00 0.00 C ATOM 802 CG ASP A 197 3.536 -12.240 2.826 1.00 0.00 C ATOM 803 OD1 ASP A 197 2.467 -12.679 3.277 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.601 -12.953 2.671 1.00 0.00 O ATOM 0 H ASP A 197 2.379 -10.074 4.416 1.00 0.00 H new ATOM 0 HA ASP A 197 5.073 -10.342 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.690 -10.403 2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.311 -10.721 1.527 1.00 0.00 H new ATOM 810 N CYS A 198 3.723 -7.754 2.405 1.00 0.00 N ATOM 811 CA CYS A 198 4.010 -6.494 1.741 1.00 0.00 C ATOM 812 C CYS A 198 4.946 -5.680 2.638 1.00 0.00 C ATOM 813 O CYS A 198 5.841 -4.994 2.148 1.00 0.00 O ATOM 814 CB CYS A 198 2.730 -5.726 1.406 1.00 0.00 C ATOM 815 SG CYS A 198 3.115 -4.324 0.293 1.00 0.00 S ATOM 0 H CYS A 198 2.731 -7.952 2.533 1.00 0.00 H new ATOM 0 HA CYS A 198 4.500 -6.687 0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.010 -6.392 0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.267 -5.358 2.321 1.00 0.00 H new ATOM 0 HG CYS A 198 2.518 -4.500 -0.849 1.00 0.00 H new ATOM 821 N LYS A 199 4.705 -5.784 3.938 1.00 0.00 N ATOM 822 CA LYS A 199 5.515 -5.067 4.908 1.00 0.00 C ATOM 823 C LYS A 199 6.979 -5.481 4.749 1.00 0.00 C ATOM 824 O LYS A 199 7.867 -4.631 4.716 1.00 0.00 O ATOM 825 CB LYS A 199 4.966 -5.275 6.321 1.00 0.00 C ATOM 826 CG LYS A 199 5.516 -4.220 7.284 1.00 0.00 C ATOM 827 CD LYS A 199 4.380 -3.465 7.977 1.00 0.00 C ATOM 828 CE LYS A 199 4.929 -2.436 8.967 1.00 0.00 C ATOM 829 NZ LYS A 199 4.243 -2.555 10.272 1.00 0.00 N ATOM 0 H LYS A 199 3.961 -6.354 4.341 1.00 0.00 H new ATOM 0 HA LYS A 199 5.466 -3.993 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.877 -5.224 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.233 -6.271 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.148 -4.699 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 199 6.145 -3.517 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.763 -2.964 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.736 -4.171 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 199 6.001 -2.585 9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.793 -1.431 8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 4.628 -1.849 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.224 -2.391 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 4.394 -3.509 10.658 1.00 0.00 H new ATOM 843 N THR A 200 7.186 -6.785 4.654 1.00 0.00 N ATOM 844 CA THR A 200 8.527 -7.322 4.501 1.00 0.00 C ATOM 845 C THR A 200 9.151 -6.827 3.193 1.00 0.00 C ATOM 846 O THR A 200 10.332 -6.484 3.158 1.00 0.00 O ATOM 847 CB THR A 200 8.440 -8.847 4.594 1.00 0.00 C ATOM 848 OG1 THR A 200 7.923 -9.086 5.899 1.00 0.00 O ATOM 849 CG2 THR A 200 9.818 -9.511 4.613 1.00 0.00 C ATOM 0 H THR A 200 6.446 -7.487 4.680 1.00 0.00 H new ATOM 0 HA THR A 200 9.187 -6.972 5.294 1.00 0.00 H new ATOM 0 HB THR A 200 7.863 -9.230 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.833 -10.051 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.700 -10.593 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.355 -9.260 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.382 -9.154 5.474 1.00 0.00 H new ATOM 857 N ILE A 201 8.333 -6.808 2.154 1.00 0.00 N ATOM 858 CA ILE A 201 8.789 -6.362 0.849 1.00 0.00 C ATOM 859 C ILE A 201 9.166 -4.881 0.925 1.00 0.00 C ATOM 860 O ILE A 201 10.180 -4.465 0.363 1.00 0.00 O ATOM 861 CB ILE A 201 7.742 -6.676 -0.222 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.061 -8.019 0.053 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.356 -6.621 -1.622 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.861 -8.807 -1.242 1.00 0.00 C ATOM 0 H ILE A 201 7.355 -7.095 2.188 1.00 0.00 H new ATOM 0 HA ILE A 201 9.686 -6.906 0.553 1.00 0.00 H new ATOM 0 HB ILE A 201 6.969 -5.909 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.666 -8.602 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.097 -7.850 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.591 -6.848 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.755 -5.623 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.161 -7.353 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.375 -9.757 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.236 -8.232 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.829 -8.995 -1.707 1.00 0.00 H new ATOM 876 N LEU A 202 8.333 -4.125 1.623 1.00 0.00 N ATOM 877 CA LEU A 202 8.565 -2.700 1.779 1.00 0.00 C ATOM 878 C LEU A 202 9.779 -2.484 2.686 1.00 0.00 C ATOM 879 O LEU A 202 10.434 -1.444 2.615 1.00 0.00 O ATOM 880 CB LEU A 202 7.297 -1.999 2.270 1.00 0.00 C ATOM 881 CG LEU A 202 6.109 -2.011 1.307 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.893 -1.321 1.928 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.490 -1.397 -0.041 1.00 0.00 C ATOM 0 H LEU A 202 7.495 -4.473 2.088 1.00 0.00 H new ATOM 0 HA LEU A 202 8.798 -2.244 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.986 -2.466 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.544 -0.962 2.498 1.00 0.00 H new ATOM 0 HG LEU A 202 5.830 -3.048 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 202 4.062 -1.343 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.607 -1.841 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 202 5.142 -0.286 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.627 -1.418 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.810 -0.365 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.305 -1.970 -0.484 1.00 0.00 H new ATOM 895 N LYS A 203 10.041 -3.479 3.517 1.00 0.00 N ATOM 896 CA LYS A 203 11.164 -3.412 4.437 1.00 0.00 C ATOM 897 C LYS A 203 12.466 -3.620 3.662 1.00 0.00 C ATOM 898 O LYS A 203 13.397 -2.824 3.779 1.00 0.00 O ATOM 899 CB LYS A 203 10.971 -4.395 5.593 1.00 0.00 C ATOM 900 CG LYS A 203 10.307 -3.713 6.791 1.00 0.00 C ATOM 901 CD LYS A 203 9.961 -4.730 7.879 1.00 0.00 C ATOM 902 CE LYS A 203 11.123 -4.900 8.860 1.00 0.00 C ATOM 903 NZ LYS A 203 12.250 -5.607 8.212 1.00 0.00 N ATOM 0 H LYS A 203 9.495 -4.338 3.574 1.00 0.00 H new ATOM 0 HA LYS A 203 11.221 -2.425 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.358 -5.234 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.936 -4.803 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.975 -2.953 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.401 -3.201 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.071 -4.404 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.723 -5.690 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 203 11.454 -3.923 9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 203 10.790 -5.459 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.754 -6.178 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 11.885 -6.228 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 12.904 -4.912 7.798 1.00 0.00 H new ATOM 917 N ALA A 204 12.491 -4.695 2.888 1.00 0.00 N ATOM 918 CA ALA A 204 13.664 -5.019 2.095 1.00 0.00 C ATOM 919 C ALA A 204 13.775 -4.032 0.930 1.00 0.00 C ATOM 920 O ALA A 204 14.843 -3.882 0.338 1.00 0.00 O ATOM 921 CB ALA A 204 13.577 -6.472 1.622 1.00 0.00 C ATOM 0 H ALA A 204 11.717 -5.353 2.793 1.00 0.00 H new ATOM 0 HA ALA A 204 14.570 -4.926 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.458 -6.714 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.530 -7.134 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.681 -6.604 1.015 1.00 0.00 H new ATOM 927 N LEU A 205 12.657 -3.386 0.637 1.00 0.00 N ATOM 928 CA LEU A 205 12.614 -2.417 -0.446 1.00 0.00 C ATOM 929 C LEU A 205 13.255 -1.109 0.019 1.00 0.00 C ATOM 930 O LEU A 205 14.406 -0.826 -0.308 1.00 0.00 O ATOM 931 CB LEU A 205 11.183 -2.253 -0.961 1.00 0.00 C ATOM 932 CG LEU A 205 10.867 -0.924 -1.653 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.106 -1.154 -2.960 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.120 0.020 -0.712 1.00 0.00 C ATOM 0 H LEU A 205 11.773 -3.514 1.130 1.00 0.00 H new ATOM 0 HA LEU A 205 13.196 -2.771 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.975 -3.063 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.499 -2.374 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 205 11.809 -0.440 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.894 -0.194 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.712 -1.762 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.169 -1.670 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.908 0.956 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.184 -0.443 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.735 0.221 0.165 1.00 0.00 H new ATOM 946 N GLY A 206 12.481 -0.345 0.777 1.00 0.00 N ATOM 947 CA GLY A 206 12.959 0.927 1.291 1.00 0.00 C ATOM 948 C GLY A 206 12.015 1.473 2.365 1.00 0.00 C ATOM 949 O GLY A 206 10.802 1.511 2.168 1.00 0.00 O ATOM 0 H GLY A 206 11.527 -0.583 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.958 0.802 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.042 1.645 0.475 1.00 0.00 H new ATOM 953 N PRO A 207 12.624 1.894 3.505 1.00 0.00 N ATOM 954 CA PRO A 207 11.852 2.437 4.610 1.00 0.00 C ATOM 955 C PRO A 207 11.375 3.858 4.299 1.00 0.00 C ATOM 956 O PRO A 207 11.653 4.789 5.054 1.00 0.00 O ATOM 957 CB PRO A 207 12.782 2.372 5.810 1.00 0.00 C ATOM 958 CG PRO A 207 14.185 2.232 5.243 1.00 0.00 C ATOM 959 CD PRO A 207 14.059 1.865 3.773 1.00 0.00 C ATOM 0 HA PRO A 207 10.938 1.875 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.695 3.271 6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.534 1.526 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.738 3.164 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.740 1.464 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.594 2.573 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.479 0.879 3.574 1.00 0.00 H new ATOM 967 N GLY A 208 10.665 3.980 3.187 1.00 0.00 N ATOM 968 CA GLY A 208 10.148 5.271 2.767 1.00 0.00 C ATOM 969 C GLY A 208 10.355 5.483 1.266 1.00 0.00 C ATOM 970 O GLY A 208 10.762 6.563 0.839 1.00 0.00 O ATOM 0 H GLY A 208 10.436 3.206 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.086 5.336 3.004 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.648 6.065 3.322 1.00 0.00 H new ATOM 974 N ALA A 209 10.065 4.436 0.508 1.00 0.00 N ATOM 975 CA ALA A 209 10.215 4.494 -0.936 1.00 0.00 C ATOM 976 C ALA A 209 8.999 5.197 -1.543 1.00 0.00 C ATOM 977 O ALA A 209 8.000 5.417 -0.859 1.00 0.00 O ATOM 978 CB ALA A 209 10.404 3.080 -1.487 1.00 0.00 C ATOM 0 H ALA A 209 9.727 3.543 0.866 1.00 0.00 H new ATOM 0 HA ALA A 209 11.099 5.071 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.516 3.124 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.296 2.634 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.534 2.473 -1.237 1.00 0.00 H new ATOM 984 N THR A 210 9.123 5.531 -2.818 1.00 0.00 N ATOM 985 CA THR A 210 8.046 6.206 -3.525 1.00 0.00 C ATOM 986 C THR A 210 6.869 5.252 -3.737 1.00 0.00 C ATOM 987 O THR A 210 6.929 4.088 -3.345 1.00 0.00 O ATOM 988 CB THR A 210 8.616 6.768 -4.829 1.00 0.00 C ATOM 989 OG1 THR A 210 7.726 7.828 -5.166 1.00 0.00 O ATOM 990 CG2 THR A 210 8.486 5.786 -5.996 1.00 0.00 C ATOM 0 H THR A 210 9.953 5.347 -3.382 1.00 0.00 H new ATOM 0 HA THR A 210 7.649 7.037 -2.942 1.00 0.00 H new ATOM 0 HB THR A 210 9.666 7.025 -4.687 1.00 0.00 H new ATOM 0 HG1 THR A 210 8.021 8.251 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 210 8.905 6.234 -6.897 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.026 4.869 -5.762 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.434 5.555 -6.162 1.00 0.00 H new ATOM 998 N LEU A 211 5.825 5.780 -4.357 1.00 0.00 N ATOM 999 CA LEU A 211 4.635 4.991 -4.626 1.00 0.00 C ATOM 1000 C LEU A 211 4.988 3.856 -5.589 1.00 0.00 C ATOM 1001 O LEU A 211 4.741 2.688 -5.295 1.00 0.00 O ATOM 1002 CB LEU A 211 3.498 5.887 -5.123 1.00 0.00 C ATOM 1003 CG LEU A 211 2.090 5.298 -5.028 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.133 3.769 -5.037 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.348 5.844 -3.806 1.00 0.00 C ATOM 0 H LEU A 211 5.778 6.746 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 211 4.269 4.530 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.520 6.817 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.693 6.144 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 211 1.530 5.609 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.119 3.376 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.594 3.423 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.717 3.416 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.349 5.409 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.897 5.584 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.268 6.928 -3.883 1.00 0.00 H new ATOM 1017 N GLU A 212 5.561 4.240 -6.720 1.00 0.00 N ATOM 1018 CA GLU A 212 5.951 3.268 -7.729 1.00 0.00 C ATOM 1019 C GLU A 212 6.797 2.159 -7.099 1.00 0.00 C ATOM 1020 O GLU A 212 6.727 1.006 -7.520 1.00 0.00 O ATOM 1021 CB GLU A 212 6.701 3.943 -8.880 1.00 0.00 C ATOM 1022 CG GLU A 212 5.793 4.120 -10.097 1.00 0.00 C ATOM 1023 CD GLU A 212 4.996 5.423 -10.003 1.00 0.00 C ATOM 1024 OE1 GLU A 212 3.923 5.450 -9.381 1.00 0.00 O ATOM 1025 OE2 GLU A 212 5.529 6.433 -10.604 1.00 0.00 O ATOM 0 H GLU A 212 5.765 5.210 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 212 5.047 2.819 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.074 4.915 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 212 7.569 3.344 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.394 4.122 -11.006 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.108 3.275 -10.170 1.00 0.00 H new ATOM 1033 N GLU A 213 7.575 2.549 -6.100 1.00 0.00 N ATOM 1034 CA GLU A 213 8.434 1.602 -5.408 1.00 0.00 C ATOM 1035 C GLU A 213 7.591 0.624 -4.587 1.00 0.00 C ATOM 1036 O GLU A 213 7.825 -0.584 -4.621 1.00 0.00 O ATOM 1037 CB GLU A 213 9.448 2.327 -4.522 1.00 0.00 C ATOM 1038 CG GLU A 213 10.657 1.436 -4.230 1.00 0.00 C ATOM 1039 CD GLU A 213 11.955 2.106 -4.685 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.710 1.522 -5.477 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.169 3.276 -4.185 1.00 0.00 O ATOM 0 H GLU A 213 7.629 3.507 -5.753 1.00 0.00 H new ATOM 0 HA GLU A 213 8.992 1.035 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.777 3.243 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 213 8.974 2.621 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.708 1.225 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.540 0.479 -4.739 1.00 0.00 H new ATOM 1049 N MET A 214 6.626 1.181 -3.868 1.00 0.00 N ATOM 1050 CA MET A 214 5.748 0.373 -3.039 1.00 0.00 C ATOM 1051 C MET A 214 4.931 -0.599 -3.893 1.00 0.00 C ATOM 1052 O MET A 214 4.714 -1.744 -3.500 1.00 0.00 O ATOM 1053 CB MET A 214 4.802 1.286 -2.257 1.00 0.00 C ATOM 1054 CG MET A 214 5.584 2.288 -1.406 1.00 0.00 C ATOM 1055 SD MET A 214 5.375 1.911 0.326 1.00 0.00 S ATOM 1056 CE MET A 214 6.954 2.461 0.954 1.00 0.00 C ATOM 0 H MET A 214 6.434 2.182 -3.843 1.00 0.00 H new ATOM 0 HA MET A 214 6.361 -0.206 -2.348 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.152 1.821 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.158 0.684 -1.616 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.641 2.254 -1.669 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.237 3.301 -1.611 1.00 0.00 H new ATOM 0 HE1 MET A 214 7.029 2.216 2.014 1.00 0.00 H new ATOM 0 HE2 MET A 214 7.756 1.963 0.409 1.00 0.00 H new ATOM 0 HE3 MET A 214 7.042 3.540 0.823 1.00 0.00 H new ATOM 1066 N MET A 215 4.499 -0.107 -5.044 1.00 0.00 N ATOM 1067 CA MET A 215 3.711 -0.917 -5.958 1.00 0.00 C ATOM 1068 C MET A 215 4.579 -1.973 -6.644 1.00 0.00 C ATOM 1069 O MET A 215 4.108 -3.066 -6.951 1.00 0.00 O ATOM 1070 CB MET A 215 3.069 -0.018 -7.015 1.00 0.00 C ATOM 1071 CG MET A 215 2.120 -0.816 -7.911 1.00 0.00 C ATOM 1072 SD MET A 215 2.441 -0.444 -9.626 1.00 0.00 S ATOM 1073 CE MET A 215 0.962 0.468 -10.029 1.00 0.00 C ATOM 0 H MET A 215 4.680 0.844 -5.366 1.00 0.00 H new ATOM 0 HA MET A 215 2.937 -1.427 -5.385 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.522 0.789 -6.527 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.846 0.446 -7.623 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.249 -1.883 -7.732 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.086 -0.574 -7.666 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.999 0.778 -11.073 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.089 -0.165 -9.870 1.00 0.00 H new ATOM 0 HE3 MET A 215 0.893 1.349 -9.391 1.00 0.00 H new ATOM 1083 N THR A 216 5.835 -1.609 -6.862 1.00 0.00 N ATOM 1084 CA THR A 216 6.774 -2.511 -7.507 1.00 0.00 C ATOM 1085 C THR A 216 7.054 -3.719 -6.610 1.00 0.00 C ATOM 1086 O THR A 216 7.144 -4.846 -7.092 1.00 0.00 O ATOM 1087 CB THR A 216 8.031 -1.712 -7.859 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.875 -1.413 -9.243 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.301 -2.562 -7.803 1.00 0.00 C ATOM 0 H THR A 216 6.224 -0.702 -6.603 1.00 0.00 H new ATOM 0 HA THR A 216 6.361 -2.919 -8.430 1.00 0.00 H new ATOM 0 HB THR A 216 8.128 -0.869 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.646 -0.894 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.163 -1.946 -8.061 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.428 -2.960 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.219 -3.386 -8.512 1.00 0.00 H new ATOM 1097 N ALA A 217 7.184 -3.441 -5.321 1.00 0.00 N ATOM 1098 CA ALA A 217 7.452 -4.490 -4.352 1.00 0.00 C ATOM 1099 C ALA A 217 6.195 -5.343 -4.170 1.00 0.00 C ATOM 1100 O ALA A 217 6.273 -6.569 -4.125 1.00 0.00 O ATOM 1101 CB ALA A 217 7.928 -3.865 -3.040 1.00 0.00 C ATOM 0 H ALA A 217 7.109 -2.504 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 217 8.247 -5.146 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.129 -4.652 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.840 -3.295 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.155 -3.202 -2.652 1.00 0.00 H new ATOM 1107 N CYS A 218 5.064 -4.659 -4.071 1.00 0.00 N ATOM 1108 CA CYS A 218 3.792 -5.338 -3.894 1.00 0.00 C ATOM 1109 C CYS A 218 3.580 -6.278 -5.084 1.00 0.00 C ATOM 1110 O CYS A 218 3.068 -7.385 -4.920 1.00 0.00 O ATOM 1111 CB CYS A 218 2.638 -4.345 -3.738 1.00 0.00 C ATOM 1112 SG CYS A 218 1.219 -5.159 -2.919 1.00 0.00 S ATOM 0 H CYS A 218 5.003 -3.642 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 218 3.812 -5.919 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.963 -3.486 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.337 -3.968 -4.715 1.00 0.00 H new ATOM 0 HG CYS A 218 0.340 -4.263 -2.582 1.00 0.00 H new ATOM 1118 N GLN A 219 3.983 -5.801 -6.252 1.00 0.00 N ATOM 1119 CA GLN A 219 3.843 -6.585 -7.468 1.00 0.00 C ATOM 1120 C GLN A 219 4.659 -7.875 -7.364 1.00 0.00 C ATOM 1121 O GLN A 219 4.353 -8.862 -8.032 1.00 0.00 O ATOM 1122 CB GLN A 219 4.257 -5.770 -8.696 1.00 0.00 C ATOM 1123 CG GLN A 219 3.140 -5.749 -9.741 1.00 0.00 C ATOM 1124 CD GLN A 219 3.689 -5.380 -11.120 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.881 -5.425 -11.376 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.754 -5.016 -11.994 1.00 0.00 N ATOM 0 H GLN A 219 4.406 -4.882 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 219 2.793 -6.852 -7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.498 -4.750 -8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.160 -6.196 -9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.660 -6.727 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.374 -5.031 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.773 -5.000 -11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.018 -4.753 -12.943 1.00 0.00 H new ATOM 1135 N GLY A 220 5.681 -7.825 -6.524 1.00 0.00 N ATOM 1136 CA GLY A 220 6.545 -8.977 -6.324 1.00 0.00 C ATOM 1137 C GLY A 220 5.890 -9.997 -5.389 1.00 0.00 C ATOM 1138 O GLY A 220 6.185 -11.188 -5.460 1.00 0.00 O ATOM 0 H GLY A 220 5.931 -7.004 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.762 -9.445 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.498 -8.653 -5.905 1.00 0.00 H new ATOM 1142 N VAL A 221 5.013 -9.491 -4.534 1.00 0.00 N ATOM 1143 CA VAL A 221 4.315 -10.342 -3.586 1.00 0.00 C ATOM 1144 C VAL A 221 3.910 -11.644 -4.279 1.00 0.00 C ATOM 1145 O VAL A 221 3.751 -11.678 -5.498 1.00 0.00 O ATOM 1146 CB VAL A 221 3.127 -9.589 -2.983 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.877 -9.753 -3.851 1.00 0.00 C ATOM 1148 CG2 VAL A 221 2.861 -10.044 -1.547 1.00 0.00 C ATOM 0 H VAL A 221 4.770 -8.502 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 221 4.969 -10.607 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 221 3.380 -8.529 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.047 -9.208 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.072 -9.358 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.621 -10.810 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.012 -9.493 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.639 -11.111 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 221 3.743 -9.852 -0.935 1.00 0.00 H new