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= -3.62! C(o=-8.1!,f=-14!) USER MOD Set 1.2: A 198 CYS SG : rot 125:sc= -1.08 USER MOD Set 1.3: A 218 CYS SG : rot 177:sc= -3.42! USER MOD Single : A 149 SER OG : rot 150:sc= -0.588 USER MOD Single : A 164 TYR OH : rot -174:sc= -0.848 USER MOD Single : A 169 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 81:sc= -1.07 USER MOD Single : A 186 THR OG1 : rot -16:sc= 0.769 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.1) USER MOD Single : A 193 ASN :FLIP amide:sc= -3.9! C(o=-4.7!,f=-3.9!) USER MOD Single : A 195 ASN : amide:sc= -2.83! C(o=-2.8!,f=-5.1!) USER MOD Single : A 199 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0265) 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 USER MOD Single : A 214 MET CE :methyl 180:sc= 0 (180deg=0) 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=-0.00222 X(o=-0.0022,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.333 4.851 7.008 1.00 0.00 N ATOM 16 CA SER A 149 -12.061 5.355 7.494 1.00 0.00 C ATOM 17 C SER A 149 -10.919 4.816 6.630 1.00 0.00 C ATOM 18 O SER A 149 -11.158 4.149 5.624 1.00 0.00 O ATOM 19 CB SER A 149 -11.842 4.974 8.959 1.00 0.00 C ATOM 20 OG SER A 149 -10.638 5.531 9.482 1.00 0.00 O ATOM 0 HA SER A 149 -12.076 6.443 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.689 5.318 9.553 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.809 3.888 9.050 1.00 0.00 H new ATOM 0 HG SER A 149 -10.744 5.696 10.442 1.00 0.00 H new ATOM 26 N ILE A 150 -9.703 5.126 7.053 1.00 0.00 N ATOM 27 CA ILE A 150 -8.523 4.681 6.330 1.00 0.00 C ATOM 28 C ILE A 150 -8.234 3.221 6.684 1.00 0.00 C ATOM 29 O ILE A 150 -7.633 2.495 5.893 1.00 0.00 O ATOM 30 CB ILE A 150 -7.346 5.623 6.594 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.780 7.086 6.492 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.172 5.307 5.664 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.991 7.495 5.034 1.00 0.00 C ATOM 0 H ILE A 150 -9.509 5.680 7.887 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.697 4.720 5.255 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.001 5.461 7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.703 7.235 7.052 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.024 7.726 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.349 5.991 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.843 4.281 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.487 5.424 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.299 8.540 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.060 7.368 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.765 6.870 4.589 1.00 0.00 H new ATOM 45 N LEU A 151 -8.675 2.835 7.871 1.00 0.00 N ATOM 46 CA LEU A 151 -8.471 1.473 8.339 1.00 0.00 C ATOM 47 C LEU A 151 -9.156 0.500 7.378 1.00 0.00 C ATOM 48 O LEU A 151 -8.683 -0.617 7.180 1.00 0.00 O ATOM 49 CB LEU A 151 -8.933 1.331 9.791 1.00 0.00 C ATOM 50 CG LEU A 151 -10.348 1.829 10.096 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.245 0.678 10.557 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.319 2.975 11.109 1.00 0.00 C ATOM 0 H LEU A 151 -9.173 3.440 8.524 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.409 1.226 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.871 0.279 10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.233 1.872 10.429 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.778 2.224 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.245 1.058 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.301 -0.076 9.772 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.829 0.232 11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.337 3.310 11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.863 2.629 12.037 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.737 3.803 10.705 1.00 0.00 H new ATOM 64 N ASP A 152 -10.258 0.962 6.805 1.00 0.00 N ATOM 65 CA ASP A 152 -11.011 0.146 5.868 1.00 0.00 C ATOM 66 C ASP A 152 -10.182 -0.068 4.600 1.00 0.00 C ATOM 67 O ASP A 152 -10.442 -0.992 3.831 1.00 0.00 O ATOM 68 CB ASP A 152 -12.318 0.834 5.467 1.00 0.00 C ATOM 69 CG ASP A 152 -13.537 -0.089 5.390 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.507 -1.132 4.720 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.563 0.308 6.061 1.00 0.00 O ATOM 0 H ASP A 152 -10.647 1.890 6.971 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.236 -0.804 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.527 1.629 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.178 1.309 4.496 1.00 0.00 H new ATOM 77 N ILE A 153 -9.199 0.802 4.421 1.00 0.00 N ATOM 78 CA ILE A 153 -8.328 0.720 3.260 1.00 0.00 C ATOM 79 C ILE A 153 -7.198 -0.271 3.544 1.00 0.00 C ATOM 80 O ILE A 153 -6.217 0.070 4.202 1.00 0.00 O ATOM 81 CB ILE A 153 -7.838 2.114 2.860 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.997 2.983 2.369 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.712 2.023 1.827 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.104 3.066 3.422 1.00 0.00 C ATOM 0 H ILE A 153 -8.986 1.568 5.060 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.876 0.340 2.398 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.426 2.598 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.633 3.984 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.400 2.570 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.382 3.027 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.875 1.466 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.076 1.511 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.916 3.690 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.482 2.065 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.704 3.502 4.337 1.00 0.00 H new ATOM 96 N ARG A 154 -7.377 -1.481 3.034 1.00 0.00 N ATOM 97 CA ARG A 154 -6.384 -2.526 3.224 1.00 0.00 C ATOM 98 C ARG A 154 -5.954 -3.103 1.873 1.00 0.00 C ATOM 99 O ARG A 154 -6.581 -2.829 0.851 1.00 0.00 O ATOM 100 CB ARG A 154 -6.933 -3.654 4.101 1.00 0.00 C ATOM 101 CG ARG A 154 -8.228 -4.221 3.517 1.00 0.00 C ATOM 102 CD ARG A 154 -8.415 -5.687 3.917 1.00 0.00 C ATOM 103 NE ARG A 154 -8.560 -6.527 2.707 1.00 0.00 N ATOM 104 CZ ARG A 154 -9.722 -6.702 2.042 1.00 0.00 C ATOM 105 NH1 ARG A 154 -10.850 -6.093 2.464 1.00 0.00 N ATOM 106 NH2 ARG A 154 -9.736 -7.475 0.972 1.00 0.00 N ATOM 0 H ARG A 154 -8.193 -1.761 2.490 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.524 -2.079 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.190 -4.447 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.117 -3.280 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -9.077 -3.634 3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.209 -4.136 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.561 -6.024 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -9.297 -5.790 4.549 1.00 0.00 H new ATOM 0 HE ARG A 154 -7.730 -7.003 2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -10.828 -5.496 3.291 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -11.724 -6.230 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -8.878 -7.929 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -10.605 -7.618 0.458 1.00 0.00 H new ATOM 120 N GLN A 155 -4.890 -3.889 1.913 1.00 0.00 N ATOM 121 CA GLN A 155 -4.369 -4.507 0.705 1.00 0.00 C ATOM 122 C GLN A 155 -4.755 -5.987 0.657 1.00 0.00 C ATOM 123 O GLN A 155 -4.148 -6.812 1.336 1.00 0.00 O ATOM 124 CB GLN A 155 -2.853 -4.332 0.609 1.00 0.00 C ATOM 125 CG GLN A 155 -2.297 -5.035 -0.631 1.00 0.00 C ATOM 126 CD GLN A 155 -0.918 -5.637 -0.348 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.240 -5.279 0.601 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.545 -6.568 -1.220 1.00 0.00 N ATOM 0 H GLN A 155 -4.373 -4.113 2.763 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.814 -4.008 -0.156 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.608 -3.271 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.379 -4.736 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.983 -5.821 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.226 -4.325 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.162 -6.820 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.358 -7.031 -1.117 1.00 0.00 H new ATOM 196 N PRO A 160 -5.471 -5.773 -6.290 1.00 0.00 N ATOM 197 CA PRO A 160 -4.219 -5.165 -6.708 1.00 0.00 C ATOM 198 C PRO A 160 -3.836 -4.009 -5.782 1.00 0.00 C ATOM 199 O PRO A 160 -4.695 -3.421 -5.127 1.00 0.00 O ATOM 200 CB PRO A 160 -4.457 -4.721 -8.143 1.00 0.00 C ATOM 201 CG PRO A 160 -5.967 -4.679 -8.321 1.00 0.00 C ATOM 202 CD PRO A 160 -6.596 -5.414 -7.148 1.00 0.00 C ATOM 0 HA PRO A 160 -3.377 -5.855 -6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.015 -3.742 -8.328 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.000 -5.415 -8.848 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.318 -3.648 -8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.253 -5.147 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.310 -4.781 -6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.139 -6.299 -7.480 1.00 0.00 H new ATOM 210 N PHE A 161 -2.544 -3.717 -5.757 1.00 0.00 N ATOM 211 CA PHE A 161 -2.036 -2.642 -4.922 1.00 0.00 C ATOM 212 C PHE A 161 -2.519 -1.280 -5.426 1.00 0.00 C ATOM 213 O PHE A 161 -2.699 -0.351 -4.640 1.00 0.00 O ATOM 214 CB PHE A 161 -0.508 -2.692 -5.007 1.00 0.00 C ATOM 215 CG PHE A 161 0.198 -1.664 -4.123 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.071 -1.729 -2.770 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.953 -0.684 -4.688 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.727 -0.773 -1.948 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.608 0.271 -3.867 1.00 0.00 C ATOM 220 CZ PHE A 161 1.482 0.206 -2.514 1.00 0.00 C ATOM 0 H PHE A 161 -1.834 -4.206 -6.302 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.391 -2.767 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.171 -3.690 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.207 -2.534 -6.042 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.528 -2.507 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.054 -0.632 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.626 -0.824 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.207 1.049 -4.317 1.00 0.00 H new ATOM 0 HZ PHE A 161 1.982 0.932 -1.890 1.00 0.00 H new ATOM 230 N ARG A 162 -2.715 -1.206 -6.734 1.00 0.00 N ATOM 231 CA ARG A 162 -3.172 0.026 -7.354 1.00 0.00 C ATOM 232 C ARG A 162 -4.548 0.416 -6.806 1.00 0.00 C ATOM 233 O ARG A 162 -4.778 1.575 -6.464 1.00 0.00 O ATOM 234 CB ARG A 162 -3.260 -0.120 -8.874 1.00 0.00 C ATOM 235 CG ARG A 162 -2.782 1.153 -9.575 1.00 0.00 C ATOM 236 CD ARG A 162 -3.300 1.213 -11.014 1.00 0.00 C ATOM 237 NE ARG A 162 -4.588 1.938 -11.059 1.00 0.00 N ATOM 238 CZ ARG A 162 -5.489 1.824 -12.059 1.00 0.00 C ATOM 239 NH1 ARG A 162 -5.246 1.008 -13.107 1.00 0.00 N ATOM 240 NH2 ARG A 162 -6.608 2.520 -11.996 1.00 0.00 N ATOM 0 H ARG A 162 -2.566 -1.980 -7.382 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.447 0.805 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.655 -0.967 -9.197 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.289 -0.335 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.127 2.028 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -1.692 1.185 -9.575 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.570 1.712 -11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.428 0.204 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.810 2.564 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.378 0.473 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.930 0.926 -13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.783 3.133 -11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -7.298 2.445 -12.743 1.00 0.00 H new ATOM 254 N ASP A 163 -5.425 -0.575 -6.740 1.00 0.00 N ATOM 255 CA ASP A 163 -6.770 -0.350 -6.240 1.00 0.00 C ATOM 256 C ASP A 163 -6.706 -0.019 -4.747 1.00 0.00 C ATOM 257 O ASP A 163 -7.515 0.761 -4.245 1.00 0.00 O ATOM 258 CB ASP A 163 -7.637 -1.600 -6.409 1.00 0.00 C ATOM 259 CG ASP A 163 -8.426 -1.666 -7.720 1.00 0.00 C ATOM 260 OD1 ASP A 163 -9.660 -1.776 -7.716 1.00 0.00 O ATOM 261 OD2 ASP A 163 -7.709 -1.600 -8.791 1.00 0.00 O ATOM 0 H ASP A 163 -5.230 -1.535 -7.024 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.207 0.472 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -6.997 -2.480 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.339 -1.653 -5.577 1.00 0.00 H new ATOM 267 N TYR A 164 -5.740 -0.630 -4.079 1.00 0.00 N ATOM 268 CA TYR A 164 -5.559 -0.409 -2.654 1.00 0.00 C ATOM 269 C TYR A 164 -5.097 1.022 -2.374 1.00 0.00 C ATOM 270 O TYR A 164 -5.558 1.654 -1.425 1.00 0.00 O ATOM 271 CB TYR A 164 -4.465 -1.382 -2.212 1.00 0.00 C ATOM 272 CG TYR A 164 -3.978 -1.161 -0.778 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.890 -0.933 0.233 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.628 -1.192 -0.495 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.433 -0.726 1.582 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.171 -0.983 0.856 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.095 -0.761 1.827 1.00 0.00 C ATOM 278 OH TYR A 164 -2.663 -0.565 3.101 1.00 0.00 O ATOM 0 H TYR A 164 -5.073 -1.279 -4.498 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.497 -0.564 -2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.840 -2.401 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.617 -1.292 -2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.947 -0.910 0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.914 -1.373 -1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.136 -0.547 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.117 -1.002 1.091 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.684 -0.522 3.112 1.00 0.00 H new ATOM 288 N VAL A 165 -4.190 1.492 -3.218 1.00 0.00 N ATOM 289 CA VAL A 165 -3.660 2.838 -3.074 1.00 0.00 C ATOM 290 C VAL A 165 -4.768 3.852 -3.367 1.00 0.00 C ATOM 291 O VAL A 165 -4.909 4.844 -2.653 1.00 0.00 O ATOM 292 CB VAL A 165 -2.433 3.016 -3.972 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.221 4.490 -4.323 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.185 2.421 -3.319 1.00 0.00 C ATOM 0 H VAL A 165 -3.809 0.965 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.325 3.009 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.614 2.474 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.343 4.589 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.097 4.868 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.071 5.064 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.328 2.561 -3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.998 2.921 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.338 1.356 -3.144 1.00 0.00 H new ATOM 304 N ASP A 166 -5.524 3.568 -4.416 1.00 0.00 N ATOM 305 CA ASP A 166 -6.614 4.443 -4.812 1.00 0.00 C ATOM 306 C ASP A 166 -7.587 4.599 -3.641 1.00 0.00 C ATOM 307 O ASP A 166 -8.011 5.710 -3.327 1.00 0.00 O ATOM 308 CB ASP A 166 -7.389 3.857 -5.994 1.00 0.00 C ATOM 309 CG ASP A 166 -8.247 4.863 -6.765 1.00 0.00 C ATOM 310 OD1 ASP A 166 -7.747 5.606 -7.622 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.498 4.864 -6.452 1.00 0.00 O ATOM 0 H ASP A 166 -5.404 2.744 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.188 5.404 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.679 3.402 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.033 3.058 -5.627 1.00 0.00 H new ATOM 317 N ARG A 167 -7.911 3.471 -3.027 1.00 0.00 N ATOM 318 CA ARG A 167 -8.825 3.469 -1.898 1.00 0.00 C ATOM 319 C ARG A 167 -8.242 4.281 -0.740 1.00 0.00 C ATOM 320 O ARG A 167 -8.948 5.066 -0.109 1.00 0.00 O ATOM 321 CB ARG A 167 -9.107 2.043 -1.420 1.00 0.00 C ATOM 322 CG ARG A 167 -10.599 1.842 -1.146 1.00 0.00 C ATOM 323 CD ARG A 167 -10.818 0.825 -0.023 1.00 0.00 C ATOM 324 NE ARG A 167 -11.886 -0.124 -0.403 1.00 0.00 N ATOM 325 CZ ARG A 167 -11.676 -1.266 -1.093 1.00 0.00 C ATOM 326 NH1 ARG A 167 -10.431 -1.609 -1.487 1.00 0.00 N ATOM 327 NH2 ARG A 167 -12.705 -2.041 -1.379 1.00 0.00 N ATOM 0 H ARG A 167 -7.557 2.551 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.760 3.921 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.773 1.330 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.536 1.840 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -11.054 2.794 -0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.096 1.500 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -9.893 0.284 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.089 1.341 0.898 1.00 0.00 H new ATOM 0 HE ARG A 167 -12.842 0.098 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -9.641 -1.004 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -10.281 -2.473 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -13.643 -1.774 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -12.562 -2.907 -1.899 1.00 0.00 H new ATOM 341 N PHE A 168 -6.957 4.065 -0.496 1.00 0.00 N ATOM 342 CA PHE A 168 -6.270 4.768 0.574 1.00 0.00 C ATOM 343 C PHE A 168 -6.345 6.283 0.372 1.00 0.00 C ATOM 344 O PHE A 168 -6.659 7.020 1.305 1.00 0.00 O ATOM 345 CB PHE A 168 -4.804 4.331 0.526 1.00 0.00 C ATOM 346 CG PHE A 168 -3.955 4.876 1.677 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.392 6.109 1.581 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.765 4.125 2.796 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.604 6.614 2.650 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.976 4.630 3.864 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.413 5.863 3.768 1.00 0.00 C ATOM 0 H PHE A 168 -6.374 3.413 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.734 4.533 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.759 3.242 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.369 4.657 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.543 6.705 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.214 3.146 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.157 7.594 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.824 4.034 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.813 6.247 4.580 1.00 0.00 H new ATOM 361 N TYR A 169 -6.053 6.701 -0.851 1.00 0.00 N ATOM 362 CA TYR A 169 -6.084 8.113 -1.186 1.00 0.00 C ATOM 363 C TYR A 169 -7.523 8.615 -1.316 1.00 0.00 C ATOM 364 O TYR A 169 -7.778 9.815 -1.227 1.00 0.00 O ATOM 365 CB TYR A 169 -5.389 8.240 -2.542 1.00 0.00 C ATOM 366 CG TYR A 169 -3.860 8.217 -2.462 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.221 7.214 -1.761 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.122 9.199 -3.091 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.783 7.192 -1.685 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.684 9.177 -3.015 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.086 8.175 -2.316 1.00 0.00 C ATOM 372 OH TYR A 169 0.272 8.154 -2.245 1.00 0.00 O ATOM 0 H TYR A 169 -5.794 6.085 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.597 8.702 -0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.721 7.426 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.704 9.170 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.800 6.446 -1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.622 9.983 -3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.270 6.413 -1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.094 9.939 -3.502 1.00 0.00 H new ATOM 0 HH TYR A 169 0.637 8.915 -2.742 1.00 0.00 H new ATOM 382 N LYS A 170 -8.429 7.669 -1.524 1.00 0.00 N ATOM 383 CA LYS A 170 -9.837 8.001 -1.667 1.00 0.00 C ATOM 384 C LYS A 170 -10.399 8.420 -0.307 1.00 0.00 C ATOM 385 O LYS A 170 -11.113 9.415 -0.208 1.00 0.00 O ATOM 386 CB LYS A 170 -10.596 6.841 -2.316 1.00 0.00 C ATOM 387 CG LYS A 170 -11.008 7.188 -3.749 1.00 0.00 C ATOM 388 CD LYS A 170 -11.745 6.021 -4.406 1.00 0.00 C ATOM 389 CE LYS A 170 -13.241 6.316 -4.531 1.00 0.00 C ATOM 390 NZ LYS A 170 -13.925 6.086 -3.239 1.00 0.00 N ATOM 0 H LYS A 170 -8.215 6.674 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.963 8.850 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.970 5.949 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.482 6.606 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.648 8.070 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -10.124 7.440 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -11.325 5.831 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -11.597 5.116 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.389 7.348 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -13.680 5.680 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -14.939 6.291 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -13.800 5.094 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.517 6.711 -2.514 1.00 0.00 H new ATOM 404 N THR A 171 -10.055 7.639 0.705 1.00 0.00 N ATOM 405 CA THR A 171 -10.516 7.915 2.055 1.00 0.00 C ATOM 406 C THR A 171 -9.740 9.090 2.652 1.00 0.00 C ATOM 407 O THR A 171 -10.313 9.930 3.346 1.00 0.00 O ATOM 408 CB THR A 171 -10.392 6.627 2.871 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.282 5.720 2.226 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.965 6.772 4.283 1.00 0.00 C ATOM 0 H THR A 171 -9.462 6.814 0.618 1.00 0.00 H new ATOM 0 HA THR A 171 -11.563 8.220 2.061 1.00 0.00 H new ATOM 0 HB THR A 171 -9.344 6.336 2.933 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.844 5.336 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.852 5.830 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.429 7.559 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.022 7.030 4.222 1.00 0.00 H new ATOM 418 N LEU A 172 -8.448 9.114 2.362 1.00 0.00 N ATOM 419 CA LEU A 172 -7.586 10.173 2.863 1.00 0.00 C ATOM 420 C LEU A 172 -8.131 11.527 2.401 1.00 0.00 C ATOM 421 O LEU A 172 -8.259 12.452 3.200 1.00 0.00 O ATOM 422 CB LEU A 172 -6.135 9.921 2.452 1.00 0.00 C ATOM 423 CG LEU A 172 -5.617 10.751 1.276 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.576 12.239 1.631 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.256 10.238 0.801 1.00 0.00 C ATOM 0 H LEU A 172 -7.976 8.417 1.786 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.586 10.183 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.496 10.111 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.027 8.866 2.201 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.313 10.637 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.204 12.806 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.580 12.580 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.915 12.391 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.910 10.845 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.537 10.303 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.350 9.200 0.482 1.00 0.00 H new ATOM 437 N ARG A 173 -8.435 11.598 1.114 1.00 0.00 N ATOM 438 CA ARG A 173 -8.962 12.824 0.538 1.00 0.00 C ATOM 439 C ARG A 173 -10.318 13.163 1.159 1.00 0.00 C ATOM 440 O ARG A 173 -10.834 14.264 0.970 1.00 0.00 O ATOM 441 CB ARG A 173 -9.122 12.694 -0.979 1.00 0.00 C ATOM 442 CG ARG A 173 -7.779 12.875 -1.689 1.00 0.00 C ATOM 443 CD ARG A 173 -7.975 13.468 -3.087 1.00 0.00 C ATOM 444 NE ARG A 173 -7.048 12.825 -4.043 1.00 0.00 N ATOM 445 CZ ARG A 173 -7.013 11.498 -4.288 1.00 0.00 C ATOM 446 NH1 ARG A 173 -7.857 10.661 -3.649 1.00 0.00 N ATOM 447 NH2 ARG A 173 -6.142 11.031 -5.165 1.00 0.00 N ATOM 0 H ARG A 173 -8.327 10.828 0.454 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.252 13.623 0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.537 11.716 -1.222 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.831 13.440 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.137 13.529 -1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.271 11.914 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.005 13.322 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -7.798 14.543 -3.063 1.00 0.00 H new ATOM 0 HE ARG A 173 -6.394 13.422 -4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.528 11.030 -2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -7.824 9.660 -3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -5.509 11.671 -5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.103 10.031 -5.362 1.00 0.00 H new ATOM 461 N ALA A 174 -10.857 12.197 1.888 1.00 0.00 N ATOM 462 CA ALA A 174 -12.144 12.380 2.540 1.00 0.00 C ATOM 463 C ALA A 174 -11.985 13.354 3.708 1.00 0.00 C ATOM 464 O ALA A 174 -12.970 13.894 4.209 1.00 0.00 O ATOM 465 CB ALA A 174 -12.688 11.020 2.984 1.00 0.00 C ATOM 0 H ALA A 174 -10.427 11.285 2.042 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.868 12.811 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.653 11.156 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -12.810 10.375 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -11.989 10.559 3.682 1.00 0.00 H new ATOM 630 N THR A 186 0.935 9.079 4.819 1.00 0.00 N ATOM 631 CA THR A 186 0.088 8.357 3.885 1.00 0.00 C ATOM 632 C THR A 186 0.755 7.045 3.465 1.00 0.00 C ATOM 633 O THR A 186 0.088 6.020 3.332 1.00 0.00 O ATOM 634 CB THR A 186 -0.218 9.285 2.709 1.00 0.00 C ATOM 635 OG1 THR A 186 1.008 9.974 2.482 1.00 0.00 O ATOM 636 CG2 THR A 186 -1.206 10.394 3.079 1.00 0.00 C ATOM 0 HA THR A 186 -0.857 8.072 4.348 1.00 0.00 H new ATOM 0 HB THR A 186 -0.621 8.701 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.593 9.865 3.260 1.00 0.00 H new ATOM 0 HG21 THR A 186 -1.388 11.024 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 186 -2.145 9.950 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.789 10.999 3.884 1.00 0.00 H new ATOM 644 N GLU A 187 2.063 7.119 3.269 1.00 0.00 N ATOM 645 CA GLU A 187 2.827 5.950 2.868 1.00 0.00 C ATOM 646 C GLU A 187 3.031 5.014 4.061 1.00 0.00 C ATOM 647 O GLU A 187 3.082 3.795 3.896 1.00 0.00 O ATOM 648 CB GLU A 187 4.169 6.356 2.254 1.00 0.00 C ATOM 649 CG GLU A 187 4.989 7.195 3.238 1.00 0.00 C ATOM 650 CD GLU A 187 4.846 8.688 2.935 1.00 0.00 C ATOM 651 OE1 GLU A 187 3.783 9.128 2.470 1.00 0.00 O ATOM 652 OE2 GLU A 187 5.887 9.401 3.202 1.00 0.00 O ATOM 0 H GLU A 187 2.613 7.971 3.380 1.00 0.00 H new ATOM 0 HA GLU A 187 2.262 5.416 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.730 5.464 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 187 3.998 6.924 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.659 6.994 4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.039 6.907 3.180 1.00 0.00 H new ATOM 660 N THR A 188 3.138 5.617 5.235 1.00 0.00 N ATOM 661 CA THR A 188 3.335 4.852 6.455 1.00 0.00 C ATOM 662 C THR A 188 2.056 4.098 6.821 1.00 0.00 C ATOM 663 O THR A 188 2.113 2.951 7.264 1.00 0.00 O ATOM 664 CB THR A 188 3.806 5.816 7.546 1.00 0.00 C ATOM 665 OG1 THR A 188 4.730 5.047 8.312 1.00 0.00 O ATOM 666 CG2 THR A 188 2.696 6.162 8.540 1.00 0.00 C ATOM 0 H THR A 188 3.092 6.627 5.368 1.00 0.00 H new ATOM 0 HA THR A 188 4.101 4.087 6.325 1.00 0.00 H new ATOM 0 HB THR A 188 4.180 6.731 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.087 5.596 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.083 6.849 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 188 1.868 6.633 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 188 2.345 5.251 9.026 1.00 0.00 H new ATOM 674 N LEU A 189 0.932 4.770 6.623 1.00 0.00 N ATOM 675 CA LEU A 189 -0.359 4.177 6.928 1.00 0.00 C ATOM 676 C LEU A 189 -0.693 3.122 5.872 1.00 0.00 C ATOM 677 O LEU A 189 -1.105 2.012 6.206 1.00 0.00 O ATOM 678 CB LEU A 189 -1.427 5.262 7.073 1.00 0.00 C ATOM 679 CG LEU A 189 -1.876 5.577 8.501 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.671 5.739 9.430 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.794 6.801 8.531 1.00 0.00 C ATOM 0 H LEU A 189 0.888 5.720 6.255 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.325 3.666 7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -1.048 6.179 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.302 4.962 6.497 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.457 4.732 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.017 5.962 10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.093 4.815 9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -0.043 6.555 9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -3.098 7.003 9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -2.261 7.665 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.677 6.608 7.922 1.00 0.00 H new ATOM 693 N LEU A 190 -0.503 3.505 4.618 1.00 0.00 N ATOM 694 CA LEU A 190 -0.779 2.607 3.509 1.00 0.00 C ATOM 695 C LEU A 190 0.049 1.330 3.676 1.00 0.00 C ATOM 696 O LEU A 190 -0.460 0.227 3.488 1.00 0.00 O ATOM 697 CB LEU A 190 -0.552 3.318 2.174 1.00 0.00 C ATOM 698 CG LEU A 190 -0.660 2.444 0.923 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.928 2.773 0.132 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.599 2.560 0.063 1.00 0.00 C ATOM 0 H LEU A 190 -0.161 4.426 4.345 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.828 2.310 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.275 4.130 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.438 3.773 2.191 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.739 1.404 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.980 2.138 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.803 2.597 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.905 3.819 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.496 1.929 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.734 3.597 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.465 2.237 0.641 1.00 0.00 H new ATOM 712 N VAL A 191 1.311 1.523 4.027 1.00 0.00 N ATOM 713 CA VAL A 191 2.214 0.403 4.221 1.00 0.00 C ATOM 714 C VAL A 191 1.812 -0.358 5.486 1.00 0.00 C ATOM 715 O VAL A 191 1.710 -1.585 5.472 1.00 0.00 O ATOM 716 CB VAL A 191 3.663 0.896 4.255 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.596 -0.183 4.808 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.117 1.356 2.869 1.00 0.00 C ATOM 0 H VAL A 191 1.730 2.440 4.182 1.00 0.00 H new ATOM 0 HA VAL A 191 2.142 -0.293 3.385 1.00 0.00 H new ATOM 0 HB VAL A 191 3.710 1.754 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.619 0.193 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.291 -0.443 5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.543 -1.069 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.150 1.701 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.047 0.524 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.478 2.171 2.529 1.00 0.00 H new ATOM 728 N GLN A 192 1.594 0.400 6.550 1.00 0.00 N ATOM 729 CA GLN A 192 1.205 -0.186 7.821 1.00 0.00 C ATOM 730 C GLN A 192 -0.115 -0.946 7.673 1.00 0.00 C ATOM 731 O GLN A 192 -0.296 -2.005 8.272 1.00 0.00 O ATOM 732 CB GLN A 192 1.103 0.882 8.911 1.00 0.00 C ATOM 733 CG GLN A 192 2.472 1.166 9.532 1.00 0.00 C ATOM 734 CD GLN A 192 2.341 2.062 10.765 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.339 2.061 11.461 1.00 0.00 O ATOM 736 NE2 GLN A 192 3.406 2.825 10.995 1.00 0.00 N ATOM 0 H GLN A 192 1.680 1.416 6.558 1.00 0.00 H new ATOM 0 HA GLN A 192 1.978 -0.893 8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.694 1.800 8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.410 0.551 9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.951 0.227 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 192 3.116 1.647 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 192 4.212 2.776 10.372 1.00 0.00 H new ATOM 0 HE22 GLN A 192 3.416 3.459 11.794 1.00 0.00 H new ATOM 745 N ASN A 193 -1.003 -0.374 6.873 1.00 0.00 N ATOM 746 CA ASN A 193 -2.302 -0.984 6.639 1.00 0.00 C ATOM 747 C ASN A 193 -2.207 -1.927 5.438 1.00 0.00 C ATOM 748 O ASN A 193 -3.226 -2.331 4.879 1.00 0.00 O ATOM 749 CB ASN A 193 -3.360 0.075 6.327 1.00 0.00 C ATOM 750 CG ASN A 193 -4.770 -0.505 6.452 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.717 0.409 6.643 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -4.985 -1.704 6.378 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.849 0.505 6.379 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.589 -1.524 7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.248 0.918 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.209 0.459 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.212 -2.353 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.938 -2.058 6.464 1.00 0.00 H new ATOM 759 N ALA A 194 -0.976 -2.250 5.074 1.00 0.00 N ATOM 760 CA ALA A 194 -0.736 -3.138 3.950 1.00 0.00 C ATOM 761 C ALA A 194 -0.646 -4.580 4.452 1.00 0.00 C ATOM 762 O ALA A 194 -0.507 -4.815 5.652 1.00 0.00 O ATOM 763 CB ALA A 194 0.530 -2.698 3.212 1.00 0.00 C ATOM 0 H ALA A 194 -0.133 -1.912 5.538 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.562 -3.088 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.710 -3.365 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.403 -1.678 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.380 -2.737 3.893 1.00 0.00 H new ATOM 769 N ASN A 195 -0.728 -5.509 3.511 1.00 0.00 N ATOM 770 CA ASN A 195 -0.657 -6.921 3.843 1.00 0.00 C ATOM 771 C ASN A 195 0.617 -7.187 4.648 1.00 0.00 C ATOM 772 O ASN A 195 1.419 -6.281 4.865 1.00 0.00 O ATOM 773 CB ASN A 195 -0.609 -7.783 2.581 1.00 0.00 C ATOM 774 CG ASN A 195 -1.822 -8.711 2.503 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.803 -8.552 3.210 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.701 -9.686 1.608 1.00 0.00 N ATOM 0 H ASN A 195 -0.843 -5.311 2.517 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.546 -7.177 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.580 -7.142 1.700 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.307 -8.374 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.457 -10.358 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.852 -9.762 1.048 1.00 0.00 H new ATOM 783 N PRO A 196 0.768 -8.468 5.078 1.00 0.00 N ATOM 784 CA PRO A 196 1.930 -8.867 5.853 1.00 0.00 C ATOM 785 C PRO A 196 3.169 -8.984 4.963 1.00 0.00 C ATOM 786 O PRO A 196 4.206 -8.389 5.254 1.00 0.00 O ATOM 787 CB PRO A 196 1.539 -10.184 6.503 1.00 0.00 C ATOM 788 CG PRO A 196 0.355 -10.707 5.704 1.00 0.00 C ATOM 789 CD PRO A 196 -0.162 -9.569 4.840 1.00 0.00 C ATOM 0 HA PRO A 196 2.202 -8.131 6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.368 -10.892 6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.271 -10.039 7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 196 0.656 -11.551 5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 196 -0.428 -11.066 6.372 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.182 -9.849 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -1.180 -9.294 5.116 1.00 0.00 H new ATOM 797 N ASP A 197 3.020 -9.755 3.895 1.00 0.00 N ATOM 798 CA ASP A 197 4.114 -9.958 2.961 1.00 0.00 C ATOM 799 C ASP A 197 4.630 -8.598 2.484 1.00 0.00 C ATOM 800 O ASP A 197 5.833 -8.340 2.518 1.00 0.00 O ATOM 801 CB ASP A 197 3.649 -10.744 1.733 1.00 0.00 C ATOM 802 CG ASP A 197 4.385 -12.065 1.497 1.00 0.00 C ATOM 803 OD1 ASP A 197 3.768 -13.141 1.467 1.00 0.00 O ATOM 804 OD2 ASP A 197 5.659 -11.960 1.337 1.00 0.00 O ATOM 0 H ASP A 197 2.158 -10.246 3.656 1.00 0.00 H new ATOM 0 HA ASP A 197 4.897 -10.518 3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.584 -10.951 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.769 -10.115 0.851 1.00 0.00 H new ATOM 810 N CYS A 198 3.696 -7.765 2.051 1.00 0.00 N ATOM 811 CA CYS A 198 4.041 -6.439 1.569 1.00 0.00 C ATOM 812 C CYS A 198 4.835 -5.720 2.662 1.00 0.00 C ATOM 813 O CYS A 198 5.767 -4.974 2.370 1.00 0.00 O ATOM 814 CB CYS A 198 2.800 -5.647 1.151 1.00 0.00 C ATOM 815 SG CYS A 198 3.298 -4.097 0.314 1.00 0.00 S ATOM 0 H CYS A 198 2.700 -7.983 2.024 1.00 0.00 H new ATOM 0 HA CYS A 198 4.655 -6.525 0.673 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.183 -6.248 0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.193 -5.418 2.027 1.00 0.00 H new ATOM 0 HG CYS A 198 2.739 -4.038 -0.858 1.00 0.00 H new ATOM 821 N LYS A 199 4.436 -5.973 3.901 1.00 0.00 N ATOM 822 CA LYS A 199 5.098 -5.360 5.040 1.00 0.00 C ATOM 823 C LYS A 199 6.585 -5.720 5.014 1.00 0.00 C ATOM 824 O LYS A 199 7.439 -4.857 5.205 1.00 0.00 O ATOM 825 CB LYS A 199 4.394 -5.748 6.342 1.00 0.00 C ATOM 826 CG LYS A 199 4.760 -4.785 7.472 1.00 0.00 C ATOM 827 CD LYS A 199 3.604 -3.831 7.775 1.00 0.00 C ATOM 828 CE LYS A 199 3.945 -2.913 8.952 1.00 0.00 C ATOM 829 NZ LYS A 199 4.808 -1.796 8.504 1.00 0.00 N ATOM 0 H LYS A 199 3.663 -6.594 4.140 1.00 0.00 H new ATOM 0 HA LYS A 199 5.031 -4.274 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.315 -5.743 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.672 -6.764 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.014 -5.350 8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.645 -4.213 7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.383 -3.230 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 199 2.705 -4.404 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.029 -2.519 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.452 -3.483 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 5.100 -1.231 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 5.651 -2.177 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 4.280 -1.194 7.840 1.00 0.00 H new ATOM 843 N THR A 200 6.849 -6.997 4.776 1.00 0.00 N ATOM 844 CA THR A 200 8.217 -7.481 4.723 1.00 0.00 C ATOM 845 C THR A 200 8.971 -6.824 3.566 1.00 0.00 C ATOM 846 O THR A 200 10.128 -6.433 3.715 1.00 0.00 O ATOM 847 CB THR A 200 8.175 -9.008 4.632 1.00 0.00 C ATOM 848 OG1 THR A 200 7.510 -9.409 5.827 1.00 0.00 O ATOM 849 CG2 THR A 200 9.563 -9.641 4.749 1.00 0.00 C ATOM 0 H THR A 200 6.138 -7.711 4.618 1.00 0.00 H new ATOM 0 HA THR A 200 8.768 -7.210 5.624 1.00 0.00 H new ATOM 0 HB THR A 200 7.721 -9.302 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.438 -10.386 5.849 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.476 -10.725 4.678 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.199 -9.275 3.943 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.005 -9.375 5.709 1.00 0.00 H new ATOM 857 N ILE A 201 8.285 -6.722 2.437 1.00 0.00 N ATOM 858 CA ILE A 201 8.875 -6.120 1.254 1.00 0.00 C ATOM 859 C ILE A 201 9.180 -4.647 1.536 1.00 0.00 C ATOM 860 O ILE A 201 10.192 -4.120 1.075 1.00 0.00 O ATOM 861 CB ILE A 201 7.977 -6.340 0.035 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.306 -7.713 0.089 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.757 -6.134 -1.265 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.225 -8.340 -1.304 1.00 0.00 C ATOM 0 H ILE A 201 7.325 -7.046 2.317 1.00 0.00 H new ATOM 0 HA ILE A 201 9.822 -6.602 1.013 1.00 0.00 H new ATOM 0 HB ILE A 201 7.184 -5.593 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.866 -8.369 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.304 -7.616 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.095 -6.296 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.147 -5.117 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.585 -6.842 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.744 -9.316 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.644 -7.693 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.230 -8.459 -1.709 1.00 0.00 H new ATOM 876 N LEU A 202 8.287 -4.025 2.290 1.00 0.00 N ATOM 877 CA LEU A 202 8.447 -2.624 2.639 1.00 0.00 C ATOM 878 C LEU A 202 9.576 -2.483 3.661 1.00 0.00 C ATOM 879 O LEU A 202 10.307 -1.494 3.651 1.00 0.00 O ATOM 880 CB LEU A 202 7.115 -2.033 3.107 1.00 0.00 C ATOM 881 CG LEU A 202 6.454 -1.033 2.156 1.00 0.00 C ATOM 882 CD1 LEU A 202 7.484 -0.060 1.579 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.671 -1.756 1.058 1.00 0.00 C ATOM 0 H LEU A 202 7.449 -4.466 2.670 1.00 0.00 H new ATOM 0 HA LEU A 202 8.736 -2.044 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.418 -2.853 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.276 -1.541 4.066 1.00 0.00 H new ATOM 0 HG LEU A 202 5.738 -0.442 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 202 6.987 0.639 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 202 7.958 0.492 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 202 8.242 -0.617 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.211 -1.022 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.348 -2.388 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 202 4.895 -2.373 1.511 1.00 0.00 H new ATOM 895 N LYS A 203 9.684 -3.486 4.519 1.00 0.00 N ATOM 896 CA LYS A 203 10.711 -3.487 5.546 1.00 0.00 C ATOM 897 C LYS A 203 12.088 -3.545 4.882 1.00 0.00 C ATOM 898 O LYS A 203 13.033 -2.909 5.348 1.00 0.00 O ATOM 899 CB LYS A 203 10.464 -4.615 6.550 1.00 0.00 C ATOM 900 CG LYS A 203 9.872 -4.070 7.852 1.00 0.00 C ATOM 901 CD LYS A 203 9.365 -5.207 8.741 1.00 0.00 C ATOM 902 CE LYS A 203 10.365 -5.522 9.853 1.00 0.00 C ATOM 903 NZ LYS A 203 9.955 -4.871 11.118 1.00 0.00 N ATOM 0 H LYS A 203 9.076 -4.305 4.524 1.00 0.00 H new ATOM 0 HA LYS A 203 10.673 -2.564 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 203 9.785 -5.350 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.401 -5.131 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.628 -3.495 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.053 -3.387 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.405 -4.931 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.196 -6.098 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 203 10.430 -6.601 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.358 -5.178 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.645 -5.095 11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.915 -3.841 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.016 -5.219 11.399 1.00 0.00 H new ATOM 917 N ALA A 204 12.160 -4.313 3.805 1.00 0.00 N ATOM 918 CA ALA A 204 13.406 -4.461 3.073 1.00 0.00 C ATOM 919 C ALA A 204 13.605 -3.248 2.163 1.00 0.00 C ATOM 920 O ALA A 204 14.737 -2.876 1.858 1.00 0.00 O ATOM 921 CB ALA A 204 13.386 -5.778 2.294 1.00 0.00 C ATOM 0 H ALA A 204 11.375 -4.840 3.422 1.00 0.00 H new ATOM 0 HA ALA A 204 14.252 -4.500 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.321 -5.890 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.272 -6.610 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.551 -5.774 1.593 1.00 0.00 H new ATOM 927 N LEU A 205 12.488 -2.665 1.754 1.00 0.00 N ATOM 928 CA LEU A 205 12.527 -1.501 0.885 1.00 0.00 C ATOM 929 C LEU A 205 13.136 -0.322 1.645 1.00 0.00 C ATOM 930 O LEU A 205 14.330 -0.051 1.524 1.00 0.00 O ATOM 931 CB LEU A 205 11.136 -1.213 0.315 1.00 0.00 C ATOM 932 CG LEU A 205 11.023 -1.227 -1.212 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.414 -2.542 -1.704 1.00 0.00 C ATOM 934 CD2 LEU A 205 10.240 -0.011 -1.714 1.00 0.00 C ATOM 0 H LEU A 205 11.551 -2.977 2.008 1.00 0.00 H new ATOM 0 HA LEU A 205 13.168 -1.689 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.440 -1.948 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.812 -0.237 0.675 1.00 0.00 H new ATOM 0 HG LEU A 205 12.027 -1.160 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.345 -2.526 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.045 -3.374 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.418 -2.663 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 205 10.174 -0.044 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.236 -0.024 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.751 0.902 -1.410 1.00 0.00 H new ATOM 946 N GLY A 206 12.288 0.348 2.412 1.00 0.00 N ATOM 947 CA GLY A 206 12.728 1.492 3.192 1.00 0.00 C ATOM 948 C GLY A 206 11.535 2.229 3.805 1.00 0.00 C ATOM 949 O GLY A 206 10.423 2.158 3.285 1.00 0.00 O ATOM 0 H GLY A 206 11.299 0.120 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.401 1.160 3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.294 2.174 2.557 1.00 0.00 H new ATOM 953 N PRO A 207 11.816 2.940 4.929 1.00 0.00 N ATOM 954 CA PRO A 207 10.778 3.690 5.618 1.00 0.00 C ATOM 955 C PRO A 207 10.429 4.970 4.855 1.00 0.00 C ATOM 956 O PRO A 207 10.529 6.068 5.399 1.00 0.00 O ATOM 957 CB PRO A 207 11.343 3.962 7.003 1.00 0.00 C ATOM 958 CG PRO A 207 12.846 3.761 6.888 1.00 0.00 C ATOM 959 CD PRO A 207 13.121 3.049 5.574 1.00 0.00 C ATOM 0 HA PRO A 207 9.838 3.142 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 207 11.108 4.976 7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 207 10.914 3.283 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 207 13.363 4.720 6.918 1.00 0.00 H new ATOM 0 HG3 PRO A 207 13.218 3.172 7.727 1.00 0.00 H new ATOM 0 HD2 PRO A 207 13.821 3.613 4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 207 13.563 2.067 5.741 1.00 0.00 H new ATOM 967 N GLY A 208 10.027 4.785 3.606 1.00 0.00 N ATOM 968 CA GLY A 208 9.662 5.910 2.763 1.00 0.00 C ATOM 969 C GLY A 208 10.048 5.652 1.304 1.00 0.00 C ATOM 970 O GLY A 208 10.746 6.455 0.691 1.00 0.00 O ATOM 0 H GLY A 208 9.946 3.872 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 208 8.589 6.088 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.159 6.812 3.120 1.00 0.00 H new ATOM 974 N ALA A 209 9.575 4.525 0.793 1.00 0.00 N ATOM 975 CA ALA A 209 9.861 4.148 -0.580 1.00 0.00 C ATOM 976 C ALA A 209 8.927 4.913 -1.520 1.00 0.00 C ATOM 977 O ALA A 209 7.882 5.404 -1.097 1.00 0.00 O ATOM 978 CB ALA A 209 9.729 2.631 -0.733 1.00 0.00 C ATOM 0 H ALA A 209 8.995 3.861 1.306 1.00 0.00 H new ATOM 0 HA ALA A 209 10.885 4.413 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.944 2.349 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.435 2.135 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.714 2.327 -0.478 1.00 0.00 H new ATOM 984 N THR A 210 9.336 4.989 -2.777 1.00 0.00 N ATOM 985 CA THR A 210 8.548 5.686 -3.780 1.00 0.00 C ATOM 986 C THR A 210 7.280 4.895 -4.105 1.00 0.00 C ATOM 987 O THR A 210 7.235 3.681 -3.915 1.00 0.00 O ATOM 988 CB THR A 210 9.442 5.931 -4.999 1.00 0.00 C ATOM 989 OG1 THR A 210 9.981 7.231 -4.778 1.00 0.00 O ATOM 990 CG2 THR A 210 8.639 6.076 -6.292 1.00 0.00 C ATOM 0 H THR A 210 10.203 4.580 -3.125 1.00 0.00 H new ATOM 0 HA THR A 210 8.205 6.653 -3.412 1.00 0.00 H new ATOM 0 HB THR A 210 10.151 5.109 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 210 10.574 7.470 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.320 6.248 -7.126 1.00 0.00 H new ATOM 0 HG22 THR A 210 8.070 5.164 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.954 6.919 -6.203 1.00 0.00 H new ATOM 998 N LEU A 211 6.280 5.616 -4.591 1.00 0.00 N ATOM 999 CA LEU A 211 5.014 4.996 -4.945 1.00 0.00 C ATOM 1000 C LEU A 211 5.271 3.827 -5.897 1.00 0.00 C ATOM 1001 O LEU A 211 4.781 2.721 -5.675 1.00 0.00 O ATOM 1002 CB LEU A 211 4.043 6.041 -5.501 1.00 0.00 C ATOM 1003 CG LEU A 211 3.010 6.588 -4.515 1.00 0.00 C ATOM 1004 CD1 LEU A 211 3.448 7.944 -3.958 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.622 6.654 -5.155 1.00 0.00 C ATOM 0 H LEU A 211 6.321 6.623 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 211 4.531 4.584 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 211 4.624 6.878 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.513 5.602 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 211 2.944 5.899 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 211 2.696 8.311 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 211 4.401 7.834 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 211 3.560 8.655 -4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.906 7.046 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 211 1.654 7.308 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.315 5.654 -5.463 1.00 0.00 H new ATOM 1017 N GLU A 212 6.040 4.113 -6.938 1.00 0.00 N ATOM 1018 CA GLU A 212 6.369 3.098 -7.925 1.00 0.00 C ATOM 1019 C GLU A 212 7.143 1.952 -7.272 1.00 0.00 C ATOM 1020 O GLU A 212 6.975 0.793 -7.645 1.00 0.00 O ATOM 1021 CB GLU A 212 7.160 3.702 -9.089 1.00 0.00 C ATOM 1022 CG GLU A 212 6.400 3.546 -10.407 1.00 0.00 C ATOM 1023 CD GLU A 212 5.280 4.582 -10.520 1.00 0.00 C ATOM 1024 OE1 GLU A 212 4.329 4.557 -9.724 1.00 0.00 O ATOM 1025 OE2 GLU A 212 5.422 5.437 -11.475 1.00 0.00 O ATOM 0 H GLU A 212 6.444 5.032 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 212 5.439 2.697 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.348 4.758 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.132 3.214 -9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.089 3.658 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.980 2.542 -10.472 1.00 0.00 H new ATOM 1033 N GLU A 213 7.973 2.317 -6.306 1.00 0.00 N ATOM 1034 CA GLU A 213 8.775 1.333 -5.597 1.00 0.00 C ATOM 1035 C GLU A 213 7.877 0.437 -4.740 1.00 0.00 C ATOM 1036 O GLU A 213 8.041 -0.783 -4.731 1.00 0.00 O ATOM 1037 CB GLU A 213 9.846 2.013 -4.742 1.00 0.00 C ATOM 1038 CG GLU A 213 11.052 1.093 -4.541 1.00 0.00 C ATOM 1039 CD GLU A 213 11.981 1.134 -5.756 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.025 2.148 -6.468 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.676 0.064 -5.949 1.00 0.00 O ATOM 0 H GLU A 213 8.108 3.280 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 213 9.285 0.709 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.166 2.938 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.425 2.284 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.600 1.396 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.711 0.071 -4.374 1.00 0.00 H new ATOM 1049 N MET A 214 6.949 1.074 -4.043 1.00 0.00 N ATOM 1050 CA MET A 214 6.026 0.351 -3.185 1.00 0.00 C ATOM 1051 C MET A 214 5.147 -0.597 -4.005 1.00 0.00 C ATOM 1052 O MET A 214 4.896 -1.729 -3.593 1.00 0.00 O ATOM 1053 CB MET A 214 5.143 1.344 -2.432 1.00 0.00 C ATOM 1054 CG MET A 214 5.965 2.166 -1.438 1.00 0.00 C ATOM 1055 SD MET A 214 5.004 2.488 0.032 1.00 0.00 S ATOM 1056 CE MET A 214 3.953 3.801 -0.565 1.00 0.00 C ATOM 0 H MET A 214 6.816 2.085 -4.055 1.00 0.00 H new ATOM 0 HA MET A 214 6.605 -0.241 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.652 2.010 -3.142 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.356 0.807 -1.902 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.877 1.629 -1.176 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.270 3.107 -1.896 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.284 4.123 0.233 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.568 4.642 -0.885 1.00 0.00 H new ATOM 0 HE3 MET A 214 3.364 3.441 -1.408 1.00 0.00 H new ATOM 1066 N MET A 215 4.702 -0.100 -5.149 1.00 0.00 N ATOM 1067 CA MET A 215 3.856 -0.887 -6.029 1.00 0.00 C ATOM 1068 C MET A 215 4.649 -2.023 -6.679 1.00 0.00 C ATOM 1069 O MET A 215 4.107 -3.098 -6.932 1.00 0.00 O ATOM 1070 CB MET A 215 3.271 0.014 -7.118 1.00 0.00 C ATOM 1071 CG MET A 215 2.282 -0.754 -7.994 1.00 0.00 C ATOM 1072 SD MET A 215 2.795 -0.682 -9.702 1.00 0.00 S ATOM 1073 CE MET A 215 1.269 -0.150 -10.462 1.00 0.00 C ATOM 0 H MET A 215 4.912 0.839 -5.487 1.00 0.00 H new ATOM 0 HA MET A 215 3.052 -1.322 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.770 0.866 -6.659 1.00 0.00 H new ATOM 0 HB3 MET A 215 4.076 0.413 -7.736 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.224 -1.792 -7.667 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.284 -0.330 -7.887 1.00 0.00 H new ATOM 0 HE1 MET A 215 1.413 -0.054 -11.538 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.489 -0.885 -10.265 1.00 0.00 H new ATOM 0 HE3 MET A 215 0.973 0.814 -10.048 1.00 0.00 H new ATOM 1083 N THR A 216 5.920 -1.745 -6.934 1.00 0.00 N ATOM 1084 CA THR A 216 6.793 -2.730 -7.550 1.00 0.00 C ATOM 1085 C THR A 216 7.033 -3.902 -6.594 1.00 0.00 C ATOM 1086 O THR A 216 7.073 -5.056 -7.019 1.00 0.00 O ATOM 1087 CB THR A 216 8.079 -2.021 -7.977 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.900 -1.790 -9.372 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.304 -2.936 -7.905 1.00 0.00 C ATOM 0 H THR A 216 6.366 -0.852 -6.725 1.00 0.00 H new ATOM 0 HA THR A 216 6.335 -3.164 -8.438 1.00 0.00 H new ATOM 0 HB THR A 216 8.240 -1.148 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.688 -1.331 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.190 -2.383 -8.218 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.438 -3.285 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.158 -3.792 -8.564 1.00 0.00 H new ATOM 1097 N ALA A 217 7.186 -3.565 -5.322 1.00 0.00 N ATOM 1098 CA ALA A 217 7.423 -4.574 -4.304 1.00 0.00 C ATOM 1099 C ALA A 217 6.132 -5.361 -4.064 1.00 0.00 C ATOM 1100 O ALA A 217 6.168 -6.575 -3.874 1.00 0.00 O ATOM 1101 CB ALA A 217 7.940 -3.903 -3.030 1.00 0.00 C ATOM 0 H ALA A 217 7.150 -2.607 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 217 8.185 -5.280 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.118 -4.660 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.872 -3.380 -3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.199 -3.190 -2.668 1.00 0.00 H new ATOM 1107 N CYS A 218 5.022 -4.637 -4.081 1.00 0.00 N ATOM 1108 CA CYS A 218 3.723 -5.252 -3.867 1.00 0.00 C ATOM 1109 C CYS A 218 3.456 -6.221 -5.021 1.00 0.00 C ATOM 1110 O CYS A 218 3.019 -7.350 -4.800 1.00 0.00 O ATOM 1111 CB CYS A 218 2.617 -4.204 -3.735 1.00 0.00 C ATOM 1112 SG CYS A 218 1.158 -4.938 -2.908 1.00 0.00 S ATOM 0 H CYS A 218 4.996 -3.630 -4.240 1.00 0.00 H new ATOM 0 HA CYS A 218 3.727 -5.801 -2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.979 -3.350 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.338 -3.831 -4.720 1.00 0.00 H new ATOM 0 HG CYS A 218 0.251 -4.023 -2.735 1.00 0.00 H new ATOM 1118 N GLN A 219 3.731 -5.747 -6.227 1.00 0.00 N ATOM 1119 CA GLN A 219 3.526 -6.556 -7.415 1.00 0.00 C ATOM 1120 C GLN A 219 4.410 -7.804 -7.366 1.00 0.00 C ATOM 1121 O GLN A 219 4.083 -8.825 -7.970 1.00 0.00 O ATOM 1122 CB GLN A 219 3.792 -5.745 -8.685 1.00 0.00 C ATOM 1123 CG GLN A 219 2.583 -5.782 -9.622 1.00 0.00 C ATOM 1124 CD GLN A 219 2.988 -5.417 -11.053 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.716 -4.470 -11.297 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.474 -6.220 -11.982 1.00 0.00 N ATOM 0 H GLN A 219 4.095 -4.811 -6.407 1.00 0.00 H new ATOM 0 HA GLN A 219 2.483 -6.873 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.020 -4.713 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.667 -6.143 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.138 -6.777 -9.609 1.00 0.00 H new ATOM 0 HG3 GLN A 219 1.822 -5.087 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.871 -6.996 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.683 -6.059 -12.967 1.00 0.00 H new ATOM 1135 N GLY A 220 5.513 -7.680 -6.643 1.00 0.00 N ATOM 1136 CA GLY A 220 6.447 -8.785 -6.508 1.00 0.00 C ATOM 1137 C GLY A 220 5.920 -9.830 -5.522 1.00 0.00 C ATOM 1138 O GLY A 220 6.322 -10.992 -5.569 1.00 0.00 O ATOM 0 H GLY A 220 5.781 -6.831 -6.145 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.611 -9.248 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.412 -8.411 -6.166 1.00 0.00 H new ATOM 1142 N VAL A 221 5.028 -9.381 -4.652 1.00 0.00 N ATOM 1143 CA VAL A 221 4.442 -10.262 -3.656 1.00 0.00 C ATOM 1144 C VAL A 221 3.975 -11.550 -4.334 1.00 0.00 C ATOM 1145 O VAL A 221 3.093 -11.521 -5.192 1.00 0.00 O ATOM 1146 CB VAL A 221 3.319 -9.537 -2.912 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.989 -9.681 -3.652 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.203 -10.041 -1.471 1.00 0.00 C ATOM 0 H VAL A 221 4.696 -8.417 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 221 5.184 -10.539 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 221 3.569 -8.477 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.208 -9.156 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.080 -9.253 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.730 -10.737 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.398 -9.510 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.987 -11.109 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.142 -9.863 -0.947 1.00 0.00 H new