USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 155 GLN : amide:sc= -10.9! C(o=-27!,f=-31!) USER MOD Set 1.2: A 195 ASN : amide:sc= -14.5! C(o=-27!,f=-36!) USER MOD Set 1.3: A 198 CYS SG : rot 180:sc= -0.347 USER MOD Set 1.4: A 218 CYS SG : rot 159:sc= -1.07 USER MOD Single : A 149 SER OG : rot 180:sc= 0.00566 USER MOD Single : A 164 TYR OH : rot -33:sc= -3.25! USER MOD Single : A 169 TYR OH : rot 5:sc= -3.33! USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 84:sc= -0.523 USER MOD Single : A 186 THR OG1 : rot 39:sc= 0.0537 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.1) USER MOD Single : A 193 ASN :FLIP amide:sc= -0.283! C(o=-3!,f=-0.28!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.0077 USER MOD Single : A 214 MET CE :methyl 157:sc= -0.636 (180deg=-0.955) 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= -0.107 K(o=-0.11,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.845 4.889 7.308 1.00 0.00 N ATOM 16 CA SER A 149 -11.542 5.394 7.706 1.00 0.00 C ATOM 17 C SER A 149 -10.455 4.807 6.803 1.00 0.00 C ATOM 18 O SER A 149 -10.742 3.988 5.932 1.00 0.00 O ATOM 19 CB SER A 149 -11.248 5.067 9.171 1.00 0.00 C ATOM 20 OG SER A 149 -10.290 5.957 9.735 1.00 0.00 O ATOM 0 HA SER A 149 -11.549 6.479 7.598 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.172 5.118 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 149 -10.881 4.044 9.247 1.00 0.00 H new ATOM 0 HG SER A 149 -10.131 5.716 10.671 1.00 0.00 H new ATOM 26 N ILE A 150 -9.229 5.249 7.042 1.00 0.00 N ATOM 27 CA ILE A 150 -8.098 4.777 6.262 1.00 0.00 C ATOM 28 C ILE A 150 -7.767 3.340 6.669 1.00 0.00 C ATOM 29 O ILE A 150 -7.083 2.626 5.936 1.00 0.00 O ATOM 30 CB ILE A 150 -6.918 5.742 6.394 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.365 7.189 6.180 1.00 0.00 C ATOM 32 CG2 ILE A 150 -5.780 5.349 5.449 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.427 7.531 4.690 1.00 0.00 C ATOM 0 H ILE A 150 -8.994 5.929 7.765 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.347 4.758 5.201 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.532 5.671 7.411 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.345 7.341 6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.673 7.865 6.683 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -4.954 6.051 5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.437 4.343 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.137 5.373 4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.748 8.566 4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.440 7.402 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.138 6.870 4.194 1.00 0.00 H new ATOM 45 N LEU A 151 -8.266 2.959 7.835 1.00 0.00 N ATOM 46 CA LEU A 151 -8.032 1.619 8.348 1.00 0.00 C ATOM 47 C LEU A 151 -8.748 0.605 7.455 1.00 0.00 C ATOM 48 O LEU A 151 -8.290 -0.528 7.307 1.00 0.00 O ATOM 49 CB LEU A 151 -8.433 1.532 9.822 1.00 0.00 C ATOM 50 CG LEU A 151 -9.928 1.647 10.119 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.548 0.267 10.349 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.185 2.593 11.293 1.00 0.00 C ATOM 0 H LEU A 151 -8.832 3.554 8.440 1.00 0.00 H new ATOM 0 HA LEU A 151 -6.969 1.378 8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.076 0.582 10.219 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -7.913 2.320 10.366 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.417 2.080 9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.612 0.376 10.558 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.415 -0.345 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.059 -0.215 11.196 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.257 2.656 11.482 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.681 2.214 12.182 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.800 3.584 11.053 1.00 0.00 H new ATOM 64 N ASP A 152 -9.858 1.046 6.883 1.00 0.00 N ATOM 65 CA ASP A 152 -10.641 0.189 6.009 1.00 0.00 C ATOM 66 C ASP A 152 -9.878 -0.032 4.702 1.00 0.00 C ATOM 67 O ASP A 152 -10.202 -0.938 3.936 1.00 0.00 O ATOM 68 CB ASP A 152 -11.986 0.834 5.668 1.00 0.00 C ATOM 69 CG ASP A 152 -13.134 -0.151 5.434 1.00 0.00 C ATOM 70 OD1 ASP A 152 -12.921 -1.281 4.969 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.304 0.289 5.752 1.00 0.00 O ATOM 0 H ASP A 152 -10.234 1.986 7.008 1.00 0.00 H new ATOM 0 HA ASP A 152 -10.814 -0.754 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.265 1.508 6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -11.863 1.445 4.774 1.00 0.00 H new ATOM 77 N ILE A 153 -8.879 0.810 4.486 1.00 0.00 N ATOM 78 CA ILE A 153 -8.067 0.718 3.285 1.00 0.00 C ATOM 79 C ILE A 153 -6.972 -0.329 3.495 1.00 0.00 C ATOM 80 O ILE A 153 -5.816 0.015 3.735 1.00 0.00 O ATOM 81 CB ILE A 153 -7.533 2.096 2.892 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.668 3.020 2.449 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.441 1.978 1.828 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.771 3.081 3.509 1.00 0.00 C ATOM 0 H ILE A 153 -8.613 1.560 5.124 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.671 0.384 2.441 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.077 2.548 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.277 4.021 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.084 2.665 1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.079 2.972 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.616 1.382 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.849 1.495 0.940 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.566 3.745 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.176 2.082 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.357 3.460 4.444 1.00 0.00 H new ATOM 96 N ARG A 154 -7.374 -1.589 3.395 1.00 0.00 N ATOM 97 CA ARG A 154 -6.442 -2.688 3.571 1.00 0.00 C ATOM 98 C ARG A 154 -6.386 -3.544 2.305 1.00 0.00 C ATOM 99 O ARG A 154 -7.190 -3.361 1.392 1.00 0.00 O ATOM 100 CB ARG A 154 -6.844 -3.569 4.757 1.00 0.00 C ATOM 101 CG ARG A 154 -5.620 -4.233 5.388 1.00 0.00 C ATOM 102 CD ARG A 154 -5.740 -5.756 5.350 1.00 0.00 C ATOM 103 NE ARG A 154 -6.599 -6.224 6.460 1.00 0.00 N ATOM 104 CZ ARG A 154 -6.155 -6.457 7.714 1.00 0.00 C ATOM 105 NH1 ARG A 154 -4.856 -6.264 8.027 1.00 0.00 N ATOM 106 NH2 ARG A 154 -7.011 -6.874 8.628 1.00 0.00 N ATOM 0 H ARG A 154 -8.333 -1.872 3.194 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.459 -2.260 3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.360 -2.966 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.546 -4.334 4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -4.720 -3.923 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.513 -3.899 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.161 -6.072 4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -4.752 -6.209 5.428 1.00 0.00 H new ATOM 0 HE ARG A 154 -7.588 -6.380 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -4.202 -5.940 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -4.528 -6.442 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -7.991 -7.015 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -6.693 -7.055 9.580 1.00 0.00 H new ATOM 120 N GLN A 155 -5.429 -4.461 2.290 1.00 0.00 N ATOM 121 CA GLN A 155 -5.259 -5.346 1.149 1.00 0.00 C ATOM 122 C GLN A 155 -6.307 -6.460 1.181 1.00 0.00 C ATOM 123 O GLN A 155 -6.107 -7.486 1.828 1.00 0.00 O ATOM 124 CB GLN A 155 -3.842 -5.924 1.113 1.00 0.00 C ATOM 125 CG GLN A 155 -3.065 -5.393 -0.092 1.00 0.00 C ATOM 126 CD GLN A 155 -1.686 -4.879 0.329 1.00 0.00 C ATOM 127 OE1 GLN A 155 -1.504 -4.320 1.400 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.729 -5.099 -0.567 1.00 0.00 N ATOM 0 H GLN A 155 -4.764 -4.610 3.049 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.403 -4.766 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.316 -5.665 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.890 -7.012 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.952 -6.184 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.628 -4.589 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.950 -5.572 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.226 -4.794 -0.378 1.00 0.00 H new ATOM 196 N PRO A 160 -5.940 -5.599 -5.658 1.00 0.00 N ATOM 197 CA PRO A 160 -4.527 -5.357 -5.898 1.00 0.00 C ATOM 198 C PRO A 160 -4.043 -4.129 -5.126 1.00 0.00 C ATOM 199 O PRO A 160 -4.816 -3.499 -4.405 1.00 0.00 O ATOM 200 CB PRO A 160 -4.405 -5.199 -7.405 1.00 0.00 C ATOM 201 CG PRO A 160 -5.808 -4.895 -7.907 1.00 0.00 C ATOM 202 CD PRO A 160 -6.783 -5.217 -6.787 1.00 0.00 C ATOM 0 HA PRO A 160 -3.894 -6.171 -5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.716 -4.393 -7.659 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.015 -6.108 -7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -5.891 -3.847 -8.196 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.034 -5.489 -8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.404 -4.355 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.457 -6.026 -7.069 1.00 0.00 H new ATOM 210 N PHE A 161 -2.766 -3.822 -5.305 1.00 0.00 N ATOM 211 CA PHE A 161 -2.170 -2.679 -4.634 1.00 0.00 C ATOM 212 C PHE A 161 -2.692 -1.366 -5.219 1.00 0.00 C ATOM 213 O PHE A 161 -2.817 -0.370 -4.507 1.00 0.00 O ATOM 214 CB PHE A 161 -0.660 -2.762 -4.867 1.00 0.00 C ATOM 215 CG PHE A 161 0.161 -1.843 -3.961 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.046 -1.942 -2.609 1.00 0.00 C ATOM 217 CD2 PHE A 161 1.006 -0.927 -4.506 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.808 -1.089 -1.767 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.768 -0.074 -3.665 1.00 0.00 C ATOM 220 CZ PHE A 161 1.652 -0.172 -2.313 1.00 0.00 C ATOM 0 H PHE A 161 -2.128 -4.345 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.421 -2.698 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.335 -3.791 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.449 -2.513 -5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.625 -2.669 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.097 -0.849 -5.579 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.718 -1.168 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.440 0.652 -4.098 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.230 0.478 -1.673 1.00 0.00 H new ATOM 230 N ARG A 162 -2.987 -1.406 -6.511 1.00 0.00 N ATOM 231 CA ARG A 162 -3.495 -0.231 -7.200 1.00 0.00 C ATOM 232 C ARG A 162 -4.829 0.205 -6.592 1.00 0.00 C ATOM 233 O ARG A 162 -5.038 1.389 -6.330 1.00 0.00 O ATOM 234 CB ARG A 162 -3.687 -0.509 -8.691 1.00 0.00 C ATOM 235 CG ARG A 162 -3.269 0.699 -9.532 1.00 0.00 C ATOM 236 CD ARG A 162 -3.603 0.481 -11.010 1.00 0.00 C ATOM 237 NE ARG A 162 -4.570 1.503 -11.467 1.00 0.00 N ATOM 238 CZ ARG A 162 -5.307 1.397 -12.593 1.00 0.00 C ATOM 239 NH1 ARG A 162 -5.190 0.313 -13.389 1.00 0.00 N ATOM 240 NH2 ARG A 162 -6.142 2.370 -12.906 1.00 0.00 N ATOM 0 H ARG A 162 -2.884 -2.233 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.761 0.567 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.099 -1.380 -8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.732 -0.750 -8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.777 1.593 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.199 0.872 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.694 0.536 -11.609 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.020 -0.516 -11.154 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.687 2.340 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.541 -0.434 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.751 0.241 -14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.223 3.187 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.706 2.305 -13.753 1.00 0.00 H new ATOM 254 N ASP A 163 -5.697 -0.773 -6.384 1.00 0.00 N ATOM 255 CA ASP A 163 -7.006 -0.506 -5.812 1.00 0.00 C ATOM 256 C ASP A 163 -6.839 -0.052 -4.361 1.00 0.00 C ATOM 257 O ASP A 163 -7.614 0.768 -3.870 1.00 0.00 O ATOM 258 CB ASP A 163 -7.877 -1.763 -5.818 1.00 0.00 C ATOM 259 CG ASP A 163 -8.313 -2.241 -7.205 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.594 -2.061 -8.198 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.460 -2.830 -7.242 1.00 0.00 O ATOM 0 H ASP A 163 -5.519 -1.754 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.486 0.267 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.330 -2.568 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.768 -1.573 -5.219 1.00 0.00 H new ATOM 267 N TYR A 164 -5.825 -0.605 -3.714 1.00 0.00 N ATOM 268 CA TYR A 164 -5.546 -0.268 -2.328 1.00 0.00 C ATOM 269 C TYR A 164 -5.091 1.187 -2.199 1.00 0.00 C ATOM 270 O TYR A 164 -5.535 1.903 -1.303 1.00 0.00 O ATOM 271 CB TYR A 164 -4.405 -1.188 -1.891 1.00 0.00 C ATOM 272 CG TYR A 164 -3.953 -0.973 -0.445 1.00 0.00 C ATOM 273 CD1 TYR A 164 -3.335 0.207 -0.082 1.00 0.00 C ATOM 274 CD2 TYR A 164 -4.160 -1.961 0.497 1.00 0.00 C ATOM 275 CE1 TYR A 164 -2.910 0.409 1.278 1.00 0.00 C ATOM 276 CE2 TYR A 164 -3.734 -1.759 1.858 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.130 -0.585 2.182 1.00 0.00 C ATOM 278 OH TYR A 164 -2.728 -0.394 3.466 1.00 0.00 O ATOM 0 H TYR A 164 -5.185 -1.285 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.439 -0.391 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.720 -2.224 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.554 -1.034 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -3.170 0.979 -0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -4.641 -2.885 0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -2.427 1.328 1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -3.891 -2.523 2.605 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.918 0.158 3.477 1.00 0.00 H new ATOM 288 N VAL A 165 -4.209 1.581 -3.106 1.00 0.00 N ATOM 289 CA VAL A 165 -3.687 2.937 -3.104 1.00 0.00 C ATOM 290 C VAL A 165 -4.825 3.916 -3.407 1.00 0.00 C ATOM 291 O VAL A 165 -4.929 4.965 -2.774 1.00 0.00 O ATOM 292 CB VAL A 165 -2.523 3.051 -4.090 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.292 4.507 -4.500 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.249 2.436 -3.508 1.00 0.00 C ATOM 0 H VAL A 165 -3.843 0.984 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.290 3.192 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.787 2.489 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.459 4.560 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.192 4.898 -4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.060 5.102 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.437 2.530 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.980 2.957 -2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.420 1.382 -3.291 1.00 0.00 H new ATOM 304 N ASP A 166 -5.648 3.535 -4.374 1.00 0.00 N ATOM 305 CA ASP A 166 -6.773 4.367 -4.767 1.00 0.00 C ATOM 306 C ASP A 166 -7.684 4.590 -3.558 1.00 0.00 C ATOM 307 O ASP A 166 -8.135 5.707 -3.314 1.00 0.00 O ATOM 308 CB ASP A 166 -7.599 3.692 -5.864 1.00 0.00 C ATOM 309 CG ASP A 166 -7.188 4.047 -7.294 1.00 0.00 C ATOM 310 OD1 ASP A 166 -5.994 4.196 -7.597 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.165 4.175 -8.126 1.00 0.00 O ATOM 0 H ASP A 166 -5.558 2.663 -4.896 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.380 5.312 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.527 2.612 -5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.646 3.960 -5.726 1.00 0.00 H new ATOM 317 N ARG A 167 -7.929 3.507 -2.834 1.00 0.00 N ATOM 318 CA ARG A 167 -8.778 3.570 -1.657 1.00 0.00 C ATOM 319 C ARG A 167 -8.101 4.392 -0.556 1.00 0.00 C ATOM 320 O ARG A 167 -8.745 5.212 0.095 1.00 0.00 O ATOM 321 CB ARG A 167 -9.084 2.170 -1.122 1.00 0.00 C ATOM 322 CG ARG A 167 -10.529 2.074 -0.630 1.00 0.00 C ATOM 323 CD ARG A 167 -11.374 1.216 -1.576 1.00 0.00 C ATOM 324 NE ARG A 167 -12.331 2.069 -2.315 1.00 0.00 N ATOM 325 CZ ARG A 167 -13.233 1.601 -3.202 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.309 0.280 -3.470 1.00 0.00 N ATOM 327 NH2 ARG A 167 -14.039 2.455 -3.805 1.00 0.00 N ATOM 0 H ARG A 167 -7.554 2.581 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.713 4.048 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.913 1.432 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.402 1.932 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.548 1.644 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -10.959 3.073 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.727 0.689 -2.277 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.913 0.458 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 167 -12.307 3.074 -2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -12.681 -0.373 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.994 -0.065 -4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -13.974 3.452 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -14.727 2.118 -4.479 1.00 0.00 H new ATOM 341 N PHE A 168 -6.811 4.142 -0.385 1.00 0.00 N ATOM 342 CA PHE A 168 -6.041 4.848 0.624 1.00 0.00 C ATOM 343 C PHE A 168 -6.086 6.360 0.390 1.00 0.00 C ATOM 344 O PHE A 168 -6.323 7.129 1.321 1.00 0.00 O ATOM 345 CB PHE A 168 -4.594 4.368 0.500 1.00 0.00 C ATOM 346 CG PHE A 168 -3.659 4.917 1.579 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.037 6.112 1.398 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.453 4.209 2.723 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.170 6.621 2.399 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.587 4.719 3.725 1.00 0.00 C ATOM 351 CZ PHE A 168 -1.963 5.914 3.543 1.00 0.00 C ATOM 0 H PHE A 168 -6.280 3.461 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.453 4.648 1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.579 3.279 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.210 4.655 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.203 6.675 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -3.948 3.260 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.674 7.569 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.423 4.158 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.304 6.301 4.306 1.00 0.00 H new ATOM 361 N TYR A 169 -5.854 6.741 -0.857 1.00 0.00 N ATOM 362 CA TYR A 169 -5.865 8.146 -1.226 1.00 0.00 C ATOM 363 C TYR A 169 -7.297 8.676 -1.322 1.00 0.00 C ATOM 364 O TYR A 169 -7.525 9.880 -1.223 1.00 0.00 O ATOM 365 CB TYR A 169 -5.210 8.225 -2.606 1.00 0.00 C ATOM 366 CG TYR A 169 -3.683 8.127 -2.577 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.073 7.083 -1.910 1.00 0.00 C ATOM 368 CD2 TYR A 169 -2.917 9.078 -3.217 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.636 6.990 -1.882 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.481 8.985 -3.190 1.00 0.00 C ATOM 371 CZ TYR A 169 -0.911 7.945 -2.523 1.00 0.00 C ATOM 372 OH TYR A 169 0.446 7.856 -2.498 1.00 0.00 O ATOM 0 H TYR A 169 -5.657 6.100 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.340 8.743 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.603 7.423 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.495 9.165 -3.079 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.673 6.337 -1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.395 9.894 -3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.145 6.180 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -0.870 9.724 -3.688 1.00 0.00 H new ATOM 0 HH TYR A 169 0.711 7.022 -2.057 1.00 0.00 H new ATOM 382 N LYS A 170 -8.225 7.750 -1.515 1.00 0.00 N ATOM 383 CA LYS A 170 -9.629 8.109 -1.628 1.00 0.00 C ATOM 384 C LYS A 170 -10.159 8.510 -0.250 1.00 0.00 C ATOM 385 O LYS A 170 -10.871 9.505 -0.121 1.00 0.00 O ATOM 386 CB LYS A 170 -10.421 6.977 -2.285 1.00 0.00 C ATOM 387 CG LYS A 170 -10.540 7.196 -3.794 1.00 0.00 C ATOM 388 CD LYS A 170 -11.492 6.176 -4.423 1.00 0.00 C ATOM 389 CE LYS A 170 -10.717 5.110 -5.201 1.00 0.00 C ATOM 390 NZ LYS A 170 -11.585 4.482 -6.222 1.00 0.00 N ATOM 0 H LYS A 170 -8.032 6.752 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.750 8.973 -2.282 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.930 6.024 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.416 6.920 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -10.901 8.205 -3.991 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.556 7.113 -4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -12.088 5.701 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.187 6.685 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -9.848 5.561 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -10.344 4.350 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -11.044 3.761 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.401 4.035 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -11.921 5.208 -6.886 1.00 0.00 H new ATOM 404 N THR A 171 -9.791 7.718 0.745 1.00 0.00 N ATOM 405 CA THR A 171 -10.220 7.978 2.108 1.00 0.00 C ATOM 406 C THR A 171 -9.456 9.170 2.691 1.00 0.00 C ATOM 407 O THR A 171 -10.029 9.991 3.404 1.00 0.00 O ATOM 408 CB THR A 171 -10.044 6.690 2.915 1.00 0.00 C ATOM 409 OG1 THR A 171 -10.754 5.710 2.164 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.776 6.734 4.258 1.00 0.00 C ATOM 0 H THR A 171 -9.199 6.894 0.634 1.00 0.00 H new ATOM 0 HA THR A 171 -11.273 8.258 2.143 1.00 0.00 H new ATOM 0 HB THR A 171 -8.982 6.513 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.178 5.364 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.618 5.796 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.390 7.559 4.856 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.843 6.878 4.086 1.00 0.00 H new ATOM 418 N LEU A 172 -8.173 9.225 2.363 1.00 0.00 N ATOM 419 CA LEU A 172 -7.325 10.301 2.844 1.00 0.00 C ATOM 420 C LEU A 172 -7.912 11.644 2.406 1.00 0.00 C ATOM 421 O LEU A 172 -8.066 12.553 3.220 1.00 0.00 O ATOM 422 CB LEU A 172 -5.879 10.086 2.392 1.00 0.00 C ATOM 423 CG LEU A 172 -5.417 10.927 1.199 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.342 12.409 1.569 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.091 10.407 0.642 1.00 0.00 C ATOM 0 H LEU A 172 -7.701 8.542 1.770 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.298 10.305 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.221 10.295 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.750 9.033 2.141 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.159 10.831 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.011 12.984 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.327 12.757 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.634 12.544 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.786 11.022 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.327 10.453 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.214 9.375 0.315 1.00 0.00 H new ATOM 437 N ARG A 173 -8.227 11.724 1.123 1.00 0.00 N ATOM 438 CA ARG A 173 -8.796 12.941 0.567 1.00 0.00 C ATOM 439 C ARG A 173 -10.200 13.175 1.129 1.00 0.00 C ATOM 440 O ARG A 173 -10.738 14.277 1.024 1.00 0.00 O ATOM 441 CB ARG A 173 -8.872 12.866 -0.960 1.00 0.00 C ATOM 442 CG ARG A 173 -8.447 14.193 -1.595 1.00 0.00 C ATOM 443 CD ARG A 173 -8.923 14.281 -3.046 1.00 0.00 C ATOM 444 NE ARG A 173 -10.403 14.255 -3.096 1.00 0.00 N ATOM 445 CZ ARG A 173 -11.135 13.131 -3.248 1.00 0.00 C ATOM 446 NH1 ARG A 173 -10.531 11.929 -3.365 1.00 0.00 N ATOM 447 NH2 ARG A 173 -12.452 13.225 -3.280 1.00 0.00 N ATOM 0 H ARG A 173 -8.100 10.967 0.452 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.145 13.769 0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.229 12.063 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.889 12.621 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.859 15.023 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.362 14.288 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -8.551 15.198 -3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.517 13.449 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 173 -10.900 15.142 -3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -9.513 11.865 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -11.092 11.085 -3.479 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -12.901 14.137 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -13.021 12.386 -3.394 1.00 0.00 H new ATOM 461 N ALA A 174 -10.754 12.123 1.712 1.00 0.00 N ATOM 462 CA ALA A 174 -12.083 12.200 2.290 1.00 0.00 C ATOM 463 C ALA A 174 -11.987 12.774 3.706 1.00 0.00 C ATOM 464 O ALA A 174 -12.916 13.425 4.180 1.00 0.00 O ATOM 465 CB ALA A 174 -12.733 10.814 2.266 1.00 0.00 C ATOM 0 H ALA A 174 -10.305 11.211 1.796 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.717 12.867 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.731 10.873 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.805 10.464 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.126 10.117 2.844 1.00 0.00 H new ATOM 630 N THR A 186 1.679 8.829 6.224 1.00 0.00 N ATOM 631 CA THR A 186 0.955 8.355 5.056 1.00 0.00 C ATOM 632 C THR A 186 1.479 6.985 4.624 1.00 0.00 C ATOM 633 O THR A 186 0.874 5.959 4.931 1.00 0.00 O ATOM 634 CB THR A 186 1.071 9.422 3.965 1.00 0.00 C ATOM 635 OG1 THR A 186 0.226 10.476 4.419 1.00 0.00 O ATOM 636 CG2 THR A 186 0.438 8.979 2.645 1.00 0.00 C ATOM 0 HA THR A 186 -0.102 8.208 5.277 1.00 0.00 H new ATOM 0 HB THR A 186 2.122 9.662 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 186 0.319 10.575 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.547 9.772 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.936 8.078 2.287 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.621 8.772 2.801 1.00 0.00 H new ATOM 644 N GLU A 187 2.600 7.011 3.915 1.00 0.00 N ATOM 645 CA GLU A 187 3.211 5.783 3.436 1.00 0.00 C ATOM 646 C GLU A 187 3.283 4.751 4.563 1.00 0.00 C ATOM 647 O GLU A 187 3.250 3.548 4.312 1.00 0.00 O ATOM 648 CB GLU A 187 4.598 6.053 2.851 1.00 0.00 C ATOM 649 CG GLU A 187 5.546 6.603 3.919 1.00 0.00 C ATOM 650 CD GLU A 187 5.567 8.134 3.897 1.00 0.00 C ATOM 651 OE1 GLU A 187 6.271 8.732 3.072 1.00 0.00 O ATOM 652 OE2 GLU A 187 4.814 8.701 4.779 1.00 0.00 O ATOM 0 H GLU A 187 3.100 7.863 3.661 1.00 0.00 H new ATOM 0 HA GLU A 187 2.589 5.378 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 187 5.007 5.132 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.518 6.765 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.233 6.254 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.552 6.219 3.750 1.00 0.00 H new ATOM 660 N THR A 188 3.379 5.260 5.783 1.00 0.00 N ATOM 661 CA THR A 188 3.457 4.399 6.951 1.00 0.00 C ATOM 662 C THR A 188 2.107 3.723 7.204 1.00 0.00 C ATOM 663 O THR A 188 2.058 2.573 7.637 1.00 0.00 O ATOM 664 CB THR A 188 3.945 5.242 8.129 1.00 0.00 C ATOM 665 OG1 THR A 188 5.127 4.575 8.568 1.00 0.00 O ATOM 666 CG2 THR A 188 3.005 5.165 9.334 1.00 0.00 C ATOM 0 H THR A 188 3.405 6.259 5.988 1.00 0.00 H new ATOM 0 HA THR A 188 4.169 3.588 6.798 1.00 0.00 H new ATOM 0 HB THR A 188 4.047 6.280 7.814 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.511 5.057 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.398 5.782 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.017 5.527 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.929 4.131 9.671 1.00 0.00 H new ATOM 674 N LEU A 189 1.047 4.466 6.925 1.00 0.00 N ATOM 675 CA LEU A 189 -0.298 3.953 7.118 1.00 0.00 C ATOM 676 C LEU A 189 -0.628 2.967 5.995 1.00 0.00 C ATOM 677 O LEU A 189 -1.182 1.898 6.248 1.00 0.00 O ATOM 678 CB LEU A 189 -1.298 5.105 7.238 1.00 0.00 C ATOM 679 CG LEU A 189 -1.913 5.319 8.622 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.759 6.591 8.656 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.707 4.089 9.065 1.00 0.00 C ATOM 0 H LEU A 189 1.092 5.420 6.567 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.366 3.403 8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.798 6.026 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.106 4.934 6.526 1.00 0.00 H new ATOM 0 HG LEU A 189 -1.103 5.454 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -3.184 6.719 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.133 7.451 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.564 6.512 7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.134 4.267 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.509 3.898 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -2.045 3.224 9.107 1.00 0.00 H new ATOM 693 N LEU A 190 -0.275 3.360 4.781 1.00 0.00 N ATOM 694 CA LEU A 190 -0.527 2.523 3.620 1.00 0.00 C ATOM 695 C LEU A 190 0.174 1.176 3.807 1.00 0.00 C ATOM 696 O LEU A 190 -0.397 0.129 3.506 1.00 0.00 O ATOM 697 CB LEU A 190 -0.126 3.254 2.336 1.00 0.00 C ATOM 698 CG LEU A 190 -0.158 2.420 1.054 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.293 2.874 0.133 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.199 2.449 0.347 1.00 0.00 C ATOM 0 H LEU A 190 0.184 4.247 4.575 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.593 2.317 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.788 4.110 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.882 3.648 2.465 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.358 1.384 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.294 2.265 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.247 2.760 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.148 3.921 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.149 1.848 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.453 3.477 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.963 2.042 1.009 1.00 0.00 H new ATOM 712 N VAL A 191 1.401 1.247 4.300 1.00 0.00 N ATOM 713 CA VAL A 191 2.186 0.046 4.530 1.00 0.00 C ATOM 714 C VAL A 191 1.668 -0.665 5.781 1.00 0.00 C ATOM 715 O VAL A 191 1.445 -1.875 5.764 1.00 0.00 O ATOM 716 CB VAL A 191 3.673 0.401 4.616 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.481 -0.763 5.193 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.216 0.822 3.248 1.00 0.00 C ATOM 0 H VAL A 191 1.871 2.118 4.547 1.00 0.00 H new ATOM 0 HA VAL A 191 2.078 -0.646 3.695 1.00 0.00 H new ATOM 0 HB VAL A 191 3.777 1.249 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.534 -0.485 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.119 -0.996 6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.367 -1.638 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.274 1.069 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.093 0.003 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.668 1.695 2.892 1.00 0.00 H new ATOM 728 N GLN A 192 1.491 0.116 6.836 1.00 0.00 N ATOM 729 CA GLN A 192 1.002 -0.425 8.094 1.00 0.00 C ATOM 730 C GLN A 192 -0.385 -1.040 7.905 1.00 0.00 C ATOM 731 O GLN A 192 -0.683 -2.095 8.462 1.00 0.00 O ATOM 732 CB GLN A 192 0.982 0.651 9.182 1.00 0.00 C ATOM 733 CG GLN A 192 0.346 0.119 10.468 1.00 0.00 C ATOM 734 CD GLN A 192 1.384 0.005 11.586 1.00 0.00 C ATOM 735 OE1 GLN A 192 2.569 -0.163 11.353 1.00 0.00 O ATOM 736 NE2 GLN A 192 0.872 0.105 12.810 1.00 0.00 N ATOM 0 H GLN A 192 1.677 1.119 6.846 1.00 0.00 H new ATOM 0 HA GLN A 192 1.684 -1.211 8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 192 1.999 0.985 9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.426 1.520 8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 192 -0.460 0.783 10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 192 -0.100 -0.858 10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 192 -0.131 0.245 12.933 1.00 0.00 H new ATOM 0 HE22 GLN A 192 1.482 0.041 13.625 1.00 0.00 H new ATOM 745 N ASN A 193 -1.199 -0.353 7.115 1.00 0.00 N ATOM 746 CA ASN A 193 -2.548 -0.820 6.844 1.00 0.00 C ATOM 747 C ASN A 193 -2.528 -1.758 5.636 1.00 0.00 C ATOM 748 O ASN A 193 -3.572 -2.057 5.060 1.00 0.00 O ATOM 749 CB ASN A 193 -3.479 0.351 6.519 1.00 0.00 C ATOM 750 CG ASN A 193 -4.918 0.039 6.934 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.081 -0.121 8.246 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.821 -0.053 6.120 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.950 0.522 6.655 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.911 -1.336 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.135 1.248 7.034 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.443 0.563 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -5.628 0.081 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.769 -0.264 6.432 1.00 0.00 H new ATOM 759 N ALA A 194 -1.327 -2.197 5.289 1.00 0.00 N ATOM 760 CA ALA A 194 -1.156 -3.094 4.160 1.00 0.00 C ATOM 761 C ALA A 194 -0.728 -4.473 4.670 1.00 0.00 C ATOM 762 O ALA A 194 -0.231 -4.597 5.788 1.00 0.00 O ATOM 763 CB ALA A 194 -0.144 -2.496 3.180 1.00 0.00 C ATOM 0 H ALA A 194 -0.463 -1.948 5.770 1.00 0.00 H new ATOM 0 HA ALA A 194 -2.096 -3.217 3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -0.016 -3.170 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.507 -1.532 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.813 -2.360 3.683 1.00 0.00 H new ATOM 769 N ASN A 195 -0.936 -5.471 3.826 1.00 0.00 N ATOM 770 CA ASN A 195 -0.579 -6.836 4.176 1.00 0.00 C ATOM 771 C ASN A 195 0.788 -6.839 4.866 1.00 0.00 C ATOM 772 O ASN A 195 1.518 -5.850 4.806 1.00 0.00 O ATOM 773 CB ASN A 195 -0.483 -7.719 2.931 1.00 0.00 C ATOM 774 CG ASN A 195 -0.148 -6.884 1.693 1.00 0.00 C ATOM 775 OD1 ASN A 195 0.363 -5.779 1.777 1.00 0.00 O ATOM 776 ND2 ASN A 195 -0.463 -7.473 0.543 1.00 0.00 N ATOM 0 H ASN A 195 -1.348 -5.363 2.899 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.353 -7.228 4.835 1.00 0.00 H new ATOM 0 HB2 ASN A 195 0.283 -8.481 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -1.427 -8.242 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -0.279 -6.998 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.889 -8.400 0.545 1.00 0.00 H new ATOM 783 N PRO A 196 1.100 -7.990 5.519 1.00 0.00 N ATOM 784 CA PRO A 196 2.365 -8.135 6.216 1.00 0.00 C ATOM 785 C PRO A 196 3.516 -8.343 5.229 1.00 0.00 C ATOM 786 O PRO A 196 4.549 -7.683 5.328 1.00 0.00 O ATOM 787 CB PRO A 196 2.165 -9.315 7.153 1.00 0.00 C ATOM 788 CG PRO A 196 0.963 -10.076 6.615 1.00 0.00 C ATOM 789 CD PRO A 196 0.259 -9.180 5.609 1.00 0.00 C ATOM 0 HA PRO A 196 2.641 -7.241 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.051 -9.950 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.988 -8.977 8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.280 -11.006 6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.287 -10.345 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.163 -9.671 4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.749 -8.929 5.940 1.00 0.00 H new ATOM 797 N ASP A 197 3.298 -9.262 4.301 1.00 0.00 N ATOM 798 CA ASP A 197 4.303 -9.565 3.298 1.00 0.00 C ATOM 799 C ASP A 197 4.795 -8.263 2.665 1.00 0.00 C ATOM 800 O ASP A 197 5.998 -8.012 2.603 1.00 0.00 O ATOM 801 CB ASP A 197 3.725 -10.442 2.185 1.00 0.00 C ATOM 802 CG ASP A 197 3.963 -11.943 2.355 1.00 0.00 C ATOM 803 OD1 ASP A 197 4.691 -12.377 3.261 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.355 -12.693 1.498 1.00 0.00 O ATOM 0 H ASP A 197 2.439 -9.807 4.223 1.00 0.00 H new ATOM 0 HA ASP A 197 5.119 -10.096 3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.651 -10.264 2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.155 -10.127 1.234 1.00 0.00 H new ATOM 810 N CYS A 198 3.840 -7.465 2.210 1.00 0.00 N ATOM 811 CA CYS A 198 4.160 -6.194 1.585 1.00 0.00 C ATOM 812 C CYS A 198 4.991 -5.369 2.569 1.00 0.00 C ATOM 813 O CYS A 198 5.908 -4.654 2.167 1.00 0.00 O ATOM 814 CB CYS A 198 2.900 -5.449 1.139 1.00 0.00 C ATOM 815 SG CYS A 198 3.343 -4.114 -0.032 1.00 0.00 S ATOM 0 H CYS A 198 2.843 -7.675 2.262 1.00 0.00 H new ATOM 0 HA CYS A 198 4.740 -6.369 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.206 -6.143 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.390 -5.029 2.006 1.00 0.00 H new ATOM 0 HG CYS A 198 2.266 -3.489 -0.406 1.00 0.00 H new ATOM 821 N LYS A 199 4.641 -5.498 3.841 1.00 0.00 N ATOM 822 CA LYS A 199 5.343 -4.773 4.887 1.00 0.00 C ATOM 823 C LYS A 199 6.831 -5.131 4.839 1.00 0.00 C ATOM 824 O LYS A 199 7.688 -4.253 4.925 1.00 0.00 O ATOM 825 CB LYS A 199 4.692 -5.030 6.246 1.00 0.00 C ATOM 826 CG LYS A 199 5.081 -3.946 7.255 1.00 0.00 C ATOM 827 CD LYS A 199 4.580 -4.298 8.658 1.00 0.00 C ATOM 828 CE LYS A 199 3.309 -3.515 8.995 1.00 0.00 C ATOM 829 NZ LYS A 199 2.498 -4.251 9.991 1.00 0.00 N ATOM 0 H LYS A 199 3.881 -6.093 4.171 1.00 0.00 H new ATOM 0 HA LYS A 199 5.268 -3.698 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.608 -5.056 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.998 -6.007 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 199 6.165 -3.830 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 199 4.663 -2.988 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.380 -5.368 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 199 5.355 -4.076 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.573 -2.532 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 199 2.724 -3.352 8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 1.639 -3.707 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.231 -5.179 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 3.053 -4.385 10.860 1.00 0.00 H new ATOM 843 N THR A 200 7.091 -6.423 4.702 1.00 0.00 N ATOM 844 CA THR A 200 8.459 -6.909 4.643 1.00 0.00 C ATOM 845 C THR A 200 9.163 -6.367 3.398 1.00 0.00 C ATOM 846 O THR A 200 10.322 -5.963 3.462 1.00 0.00 O ATOM 847 CB THR A 200 8.422 -8.437 4.702 1.00 0.00 C ATOM 848 OG1 THR A 200 7.872 -8.721 5.986 1.00 0.00 O ATOM 849 CG2 THR A 200 9.820 -9.056 4.750 1.00 0.00 C ATOM 0 H THR A 200 6.377 -7.148 4.630 1.00 0.00 H new ATOM 0 HA THR A 200 9.042 -6.551 5.491 1.00 0.00 H new ATOM 0 HB THR A 200 7.886 -8.821 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.810 -9.691 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.736 -10.142 4.791 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.376 -8.769 3.858 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.346 -8.699 5.636 1.00 0.00 H new ATOM 857 N ILE A 201 8.432 -6.376 2.292 1.00 0.00 N ATOM 858 CA ILE A 201 8.971 -5.890 1.033 1.00 0.00 C ATOM 859 C ILE A 201 9.279 -4.397 1.158 1.00 0.00 C ATOM 860 O ILE A 201 10.272 -3.916 0.614 1.00 0.00 O ATOM 861 CB ILE A 201 8.027 -6.230 -0.121 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.375 -7.598 0.089 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.753 -6.141 -1.466 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.247 -8.353 -1.235 1.00 0.00 C ATOM 0 H ILE A 201 7.470 -6.713 2.242 1.00 0.00 H new ATOM 0 HA ILE A 201 9.911 -6.391 0.802 1.00 0.00 H new ATOM 0 HB ILE A 201 7.226 -5.491 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.969 -8.184 0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.389 -7.470 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.060 -6.387 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.130 -5.129 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.586 -6.844 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.781 -9.322 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.632 -7.775 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.237 -8.500 -1.667 1.00 0.00 H new ATOM 876 N LEU A 202 8.408 -3.704 1.877 1.00 0.00 N ATOM 877 CA LEU A 202 8.573 -2.274 2.080 1.00 0.00 C ATOM 878 C LEU A 202 9.739 -2.032 3.042 1.00 0.00 C ATOM 879 O LEU A 202 10.438 -1.025 2.934 1.00 0.00 O ATOM 880 CB LEU A 202 7.258 -1.641 2.536 1.00 0.00 C ATOM 881 CG LEU A 202 6.228 -1.369 1.437 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.825 -1.779 1.887 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.281 0.093 0.988 1.00 0.00 C ATOM 0 H LEU A 202 7.585 -4.106 2.326 1.00 0.00 H new ATOM 0 HA LEU A 202 8.826 -1.783 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.802 -2.294 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.485 -0.699 3.035 1.00 0.00 H new ATOM 0 HG LEU A 202 6.480 -1.982 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 202 4.112 -1.575 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.814 -2.844 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.547 -1.211 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.540 0.261 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.067 0.742 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.274 0.319 0.600 1.00 0.00 H new ATOM 895 N LYS A 203 9.913 -2.972 3.958 1.00 0.00 N ATOM 896 CA LYS A 203 10.981 -2.872 4.939 1.00 0.00 C ATOM 897 C LYS A 203 12.331 -2.998 4.229 1.00 0.00 C ATOM 898 O LYS A 203 13.289 -2.312 4.585 1.00 0.00 O ATOM 899 CB LYS A 203 10.778 -3.895 6.058 1.00 0.00 C ATOM 900 CG LYS A 203 10.051 -3.267 7.249 1.00 0.00 C ATOM 901 CD LYS A 203 9.755 -4.315 8.326 1.00 0.00 C ATOM 902 CE LYS A 203 10.746 -4.204 9.485 1.00 0.00 C ATOM 903 NZ LYS A 203 10.186 -3.365 10.568 1.00 0.00 N ATOM 0 H LYS A 203 9.333 -3.807 4.042 1.00 0.00 H new ATOM 0 HA LYS A 203 10.964 -1.896 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.204 -4.742 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.744 -4.283 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.660 -2.468 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.119 -2.813 6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.739 -4.183 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.808 -5.313 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 203 10.978 -5.197 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.682 -3.773 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.872 -3.300 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.987 -2.412 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.305 -3.792 10.918 1.00 0.00 H new ATOM 917 N ALA A 204 12.364 -3.876 3.239 1.00 0.00 N ATOM 918 CA ALA A 204 13.580 -4.099 2.475 1.00 0.00 C ATOM 919 C ALA A 204 13.767 -2.957 1.476 1.00 0.00 C ATOM 920 O ALA A 204 14.895 -2.600 1.139 1.00 0.00 O ATOM 921 CB ALA A 204 13.511 -5.468 1.792 1.00 0.00 C ATOM 0 H ALA A 204 11.568 -4.443 2.947 1.00 0.00 H new ATOM 0 HA ALA A 204 14.450 -4.106 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.423 -5.635 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.409 -6.247 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.651 -5.498 1.122 1.00 0.00 H new ATOM 927 N LEU A 205 12.644 -2.415 1.029 1.00 0.00 N ATOM 928 CA LEU A 205 12.669 -1.320 0.074 1.00 0.00 C ATOM 929 C LEU A 205 13.474 -0.157 0.659 1.00 0.00 C ATOM 930 O LEU A 205 14.654 0.002 0.351 1.00 0.00 O ATOM 931 CB LEU A 205 11.247 -0.936 -0.340 1.00 0.00 C ATOM 932 CG LEU A 205 10.954 -0.969 -1.841 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.377 -2.324 -2.257 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.041 0.190 -2.246 1.00 0.00 C ATOM 0 H LEU A 205 11.710 -2.714 1.311 1.00 0.00 H new ATOM 0 HA LEU A 205 13.171 -1.627 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.550 -1.608 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.041 0.069 0.028 1.00 0.00 H new ATOM 0 HG LEU A 205 11.895 -0.841 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.178 -2.321 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.093 -3.112 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.449 -2.506 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.848 0.144 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.098 0.117 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.526 1.136 -2.005 1.00 0.00 H new ATOM 946 N GLY A 206 12.804 0.624 1.493 1.00 0.00 N ATOM 947 CA GLY A 206 13.442 1.767 2.123 1.00 0.00 C ATOM 948 C GLY A 206 12.424 2.607 2.896 1.00 0.00 C ATOM 949 O GLY A 206 11.232 2.578 2.592 1.00 0.00 O ATOM 0 H GLY A 206 11.826 0.488 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.224 1.424 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.925 2.382 1.364 1.00 0.00 H new ATOM 953 N PRO A 207 12.942 3.355 3.906 1.00 0.00 N ATOM 954 CA PRO A 207 12.092 4.201 4.725 1.00 0.00 C ATOM 955 C PRO A 207 11.674 5.460 3.962 1.00 0.00 C ATOM 956 O PRO A 207 11.916 6.576 4.420 1.00 0.00 O ATOM 957 CB PRO A 207 12.916 4.504 5.966 1.00 0.00 C ATOM 958 CG PRO A 207 14.359 4.207 5.591 1.00 0.00 C ATOM 959 CD PRO A 207 14.350 3.414 4.294 1.00 0.00 C ATOM 0 HA PRO A 207 11.153 3.718 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.797 5.544 6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.596 3.889 6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.920 5.134 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.850 3.640 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.952 3.902 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.764 2.416 4.437 1.00 0.00 H new ATOM 967 N GLY A 208 11.053 5.238 2.814 1.00 0.00 N ATOM 968 CA GLY A 208 10.598 6.340 1.982 1.00 0.00 C ATOM 969 C GLY A 208 10.570 5.939 0.506 1.00 0.00 C ATOM 970 O GLY A 208 11.105 6.648 -0.344 1.00 0.00 O ATOM 0 H GLY A 208 10.854 4.311 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.602 6.651 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.257 7.198 2.117 1.00 0.00 H new ATOM 974 N ALA A 209 9.938 4.803 0.248 1.00 0.00 N ATOM 975 CA ALA A 209 9.832 4.299 -1.112 1.00 0.00 C ATOM 976 C ALA A 209 8.719 5.052 -1.844 1.00 0.00 C ATOM 977 O ALA A 209 7.820 5.605 -1.214 1.00 0.00 O ATOM 978 CB ALA A 209 9.590 2.788 -1.078 1.00 0.00 C ATOM 0 H ALA A 209 9.495 4.218 0.956 1.00 0.00 H new ATOM 0 HA ALA A 209 10.760 4.469 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.510 2.409 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.422 2.298 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.665 2.580 -0.540 1.00 0.00 H new ATOM 984 N THR A 210 8.817 5.047 -3.166 1.00 0.00 N ATOM 985 CA THR A 210 7.830 5.723 -3.991 1.00 0.00 C ATOM 986 C THR A 210 6.736 4.744 -4.421 1.00 0.00 C ATOM 987 O THR A 210 6.969 3.538 -4.490 1.00 0.00 O ATOM 988 CB THR A 210 8.562 6.372 -5.167 1.00 0.00 C ATOM 989 OG1 THR A 210 7.551 7.122 -5.833 1.00 0.00 O ATOM 990 CG2 THR A 210 9.015 5.349 -6.211 1.00 0.00 C ATOM 0 H THR A 210 9.564 4.586 -3.685 1.00 0.00 H new ATOM 0 HA THR A 210 7.319 6.509 -3.435 1.00 0.00 H new ATOM 0 HB THR A 210 9.428 6.921 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.939 7.578 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.529 5.862 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.693 4.632 -5.748 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.146 4.823 -6.606 1.00 0.00 H new ATOM 998 N LEU A 211 5.566 5.299 -4.700 1.00 0.00 N ATOM 999 CA LEU A 211 4.435 4.491 -5.123 1.00 0.00 C ATOM 1000 C LEU A 211 4.901 3.476 -6.169 1.00 0.00 C ATOM 1001 O LEU A 211 4.418 2.344 -6.198 1.00 0.00 O ATOM 1002 CB LEU A 211 3.287 5.382 -5.601 1.00 0.00 C ATOM 1003 CG LEU A 211 2.479 6.080 -4.505 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.926 7.534 -4.336 1.00 0.00 C ATOM 1005 CD2 LEU A 211 0.978 5.971 -4.777 1.00 0.00 C ATOM 0 H LEU A 211 5.377 6.300 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 211 4.038 3.924 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.697 6.144 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 211 2.605 4.774 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 211 2.673 5.571 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 211 2.336 8.007 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 211 3.981 7.561 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.780 8.071 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.427 6.475 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.747 6.440 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 211 0.689 4.920 -4.808 1.00 0.00 H new ATOM 1017 N GLU A 212 5.835 3.916 -6.998 1.00 0.00 N ATOM 1018 CA GLU A 212 6.372 3.061 -8.042 1.00 0.00 C ATOM 1019 C GLU A 212 7.093 1.860 -7.427 1.00 0.00 C ATOM 1020 O GLU A 212 6.843 0.717 -7.809 1.00 0.00 O ATOM 1021 CB GLU A 212 7.303 3.843 -8.970 1.00 0.00 C ATOM 1022 CG GLU A 212 6.853 3.726 -10.427 1.00 0.00 C ATOM 1023 CD GLU A 212 7.923 4.269 -11.377 1.00 0.00 C ATOM 1024 OE1 GLU A 212 8.842 3.532 -11.760 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.774 5.505 -11.716 1.00 0.00 O ATOM 0 H GLU A 212 6.234 4.854 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 212 5.541 2.693 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.319 4.892 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.321 3.468 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.646 2.683 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.923 4.276 -10.569 1.00 0.00 H new ATOM 1033 N GLU A 213 7.974 2.161 -6.483 1.00 0.00 N ATOM 1034 CA GLU A 213 8.733 1.121 -5.810 1.00 0.00 C ATOM 1035 C GLU A 213 7.810 0.272 -4.934 1.00 0.00 C ATOM 1036 O GLU A 213 8.001 -0.938 -4.815 1.00 0.00 O ATOM 1037 CB GLU A 213 9.873 1.721 -4.984 1.00 0.00 C ATOM 1038 CG GLU A 213 11.069 0.767 -4.924 1.00 0.00 C ATOM 1039 CD GLU A 213 11.818 0.742 -6.258 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.300 1.788 -6.718 1.00 0.00 O ATOM 1041 OE2 GLU A 213 11.890 -0.416 -6.820 1.00 0.00 O ATOM 0 H GLU A 213 8.179 3.110 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 213 9.178 0.476 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.182 2.671 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.522 1.934 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.746 1.077 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.725 -0.237 -4.677 1.00 0.00 H new ATOM 1049 N MET A 214 6.830 0.939 -4.343 1.00 0.00 N ATOM 1050 CA MET A 214 5.877 0.261 -3.479 1.00 0.00 C ATOM 1051 C MET A 214 5.032 -0.737 -4.275 1.00 0.00 C ATOM 1052 O MET A 214 4.849 -1.878 -3.851 1.00 0.00 O ATOM 1053 CB MET A 214 4.961 1.294 -2.820 1.00 0.00 C ATOM 1054 CG MET A 214 5.725 2.122 -1.786 1.00 0.00 C ATOM 1055 SD MET A 214 5.012 3.754 -1.663 1.00 0.00 S ATOM 1056 CE MET A 214 5.321 4.099 0.061 1.00 0.00 C ATOM 0 H MET A 214 6.675 1.942 -4.445 1.00 0.00 H new ATOM 0 HA MET A 214 6.430 -0.286 -2.716 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.542 1.952 -3.581 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.123 0.789 -2.340 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.691 1.627 -0.815 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.775 2.195 -2.070 1.00 0.00 H new ATOM 0 HE1 MET A 214 5.326 5.177 0.221 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.538 3.645 0.669 1.00 0.00 H new ATOM 0 HE3 MET A 214 6.288 3.685 0.347 1.00 0.00 H new ATOM 1066 N MET A 215 4.540 -0.272 -5.414 1.00 0.00 N ATOM 1067 CA MET A 215 3.719 -1.111 -6.272 1.00 0.00 C ATOM 1068 C MET A 215 4.554 -2.220 -6.914 1.00 0.00 C ATOM 1069 O MET A 215 4.054 -3.320 -7.151 1.00 0.00 O ATOM 1070 CB MET A 215 3.085 -0.251 -7.367 1.00 0.00 C ATOM 1071 CG MET A 215 1.932 -0.994 -8.047 1.00 0.00 C ATOM 1072 SD MET A 215 0.577 0.128 -8.349 1.00 0.00 S ATOM 1073 CE MET A 215 0.858 0.495 -10.072 1.00 0.00 C ATOM 0 H MET A 215 4.694 0.674 -5.763 1.00 0.00 H new ATOM 0 HA MET A 215 2.942 -1.573 -5.663 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.719 0.681 -6.936 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.839 0.015 -8.108 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.272 -1.428 -8.987 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.599 -1.819 -7.418 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.095 1.188 -10.425 1.00 0.00 H new ATOM 0 HE2 MET A 215 1.843 0.947 -10.192 1.00 0.00 H new ATOM 0 HE3 MET A 215 0.808 -0.426 -10.653 1.00 0.00 H new ATOM 1083 N THR A 216 5.812 -1.896 -7.177 1.00 0.00 N ATOM 1084 CA THR A 216 6.719 -2.852 -7.788 1.00 0.00 C ATOM 1085 C THR A 216 7.023 -3.993 -6.815 1.00 0.00 C ATOM 1086 O THR A 216 7.118 -5.151 -7.222 1.00 0.00 O ATOM 1087 CB THR A 216 7.967 -2.094 -8.245 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.766 -1.903 -9.642 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.233 -2.948 -8.164 1.00 0.00 C ATOM 0 H THR A 216 6.224 -0.984 -6.978 1.00 0.00 H new ATOM 0 HA THR A 216 6.269 -3.322 -8.662 1.00 0.00 H new ATOM 0 HB THR A 216 8.092 -1.200 -7.634 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.529 -1.417 -10.019 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.089 -2.362 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.392 -3.266 -7.134 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.121 -3.825 -8.801 1.00 0.00 H new ATOM 1097 N ALA A 217 7.168 -3.628 -5.550 1.00 0.00 N ATOM 1098 CA ALA A 217 7.460 -4.607 -4.517 1.00 0.00 C ATOM 1099 C ALA A 217 6.211 -5.449 -4.251 1.00 0.00 C ATOM 1100 O ALA A 217 6.306 -6.652 -4.015 1.00 0.00 O ATOM 1101 CB ALA A 217 7.958 -3.890 -3.262 1.00 0.00 C ATOM 0 H ALA A 217 7.089 -2.667 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 217 8.250 -5.284 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.177 -4.624 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.863 -3.330 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.189 -3.204 -2.906 1.00 0.00 H new ATOM 1107 N CYS A 218 5.065 -4.783 -4.298 1.00 0.00 N ATOM 1108 CA CYS A 218 3.799 -5.455 -4.065 1.00 0.00 C ATOM 1109 C CYS A 218 3.595 -6.494 -5.169 1.00 0.00 C ATOM 1110 O CYS A 218 3.178 -7.619 -4.900 1.00 0.00 O ATOM 1111 CB CYS A 218 2.637 -4.462 -3.995 1.00 0.00 C ATOM 1112 SG CYS A 218 1.183 -5.254 -3.215 1.00 0.00 S ATOM 0 H CYS A 218 4.988 -3.785 -4.494 1.00 0.00 H new ATOM 0 HA CYS A 218 3.823 -5.956 -3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.933 -3.583 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.380 -4.119 -4.997 1.00 0.00 H new ATOM 0 HG CYS A 218 0.382 -4.337 -2.760 1.00 0.00 H new ATOM 1118 N GLN A 219 3.901 -6.080 -6.390 1.00 0.00 N ATOM 1119 CA GLN A 219 3.757 -6.961 -7.538 1.00 0.00 C ATOM 1120 C GLN A 219 4.672 -8.178 -7.389 1.00 0.00 C ATOM 1121 O GLN A 219 4.376 -9.250 -7.916 1.00 0.00 O ATOM 1122 CB GLN A 219 4.043 -6.215 -8.841 1.00 0.00 C ATOM 1123 CG GLN A 219 2.881 -6.362 -9.825 1.00 0.00 C ATOM 1124 CD GLN A 219 3.336 -6.083 -11.259 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.477 -6.302 -11.629 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.381 -5.589 -12.042 1.00 0.00 N ATOM 0 H GLN A 219 4.248 -5.146 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 219 2.725 -7.309 -7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.214 -5.159 -8.630 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.957 -6.601 -9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.470 -7.370 -9.760 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.081 -5.673 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.446 -5.430 -11.667 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.584 -5.369 -13.017 1.00 0.00 H new ATOM 1135 N GLY A 220 5.765 -7.973 -6.669 1.00 0.00 N ATOM 1136 CA GLY A 220 6.726 -9.040 -6.446 1.00 0.00 C ATOM 1137 C GLY A 220 6.200 -10.045 -5.419 1.00 0.00 C ATOM 1138 O GLY A 220 6.576 -11.215 -5.441 1.00 0.00 O ATOM 0 H GLY A 220 6.007 -7.083 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.933 -9.550 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.669 -8.618 -6.098 1.00 0.00 H new ATOM 1142 N VAL A 221 5.336 -9.550 -4.542 1.00 0.00 N ATOM 1143 CA VAL A 221 4.756 -10.390 -3.510 1.00 0.00 C ATOM 1144 C VAL A 221 4.274 -11.701 -4.136 1.00 0.00 C ATOM 1145 O VAL A 221 3.874 -11.728 -5.298 1.00 0.00 O ATOM 1146 CB VAL A 221 3.643 -9.631 -2.783 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.302 -9.803 -3.500 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.543 -10.072 -1.322 1.00 0.00 C ATOM 0 H VAL A 221 5.025 -8.579 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 221 5.504 -10.644 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 221 3.897 -8.571 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.529 -9.254 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.381 -9.418 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 221 2.040 -10.860 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.745 -9.518 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.324 -11.139 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.488 -9.874 -0.817 1.00 0.00 H new