USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 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= -1.65 K(o=-1.5,f=-13!) USER MOD Set 1.2: A 198 CYS SG : rot 119:sc= 0.38 USER MOD Set 1.3: A 218 CYS SG : rot 160:sc= -0.206 USER MOD Single : A 149 SER OG : rot 170:sc= 0.03 USER MOD Single : A 164 TYR OH : rot 175:sc= -1.34 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 82:sc= -0.947 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 193 ASN :FLIP amide:sc= -4.69! C(o=-6.5!,f=-4.7!) USER MOD Single : A 195 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.5!) USER MOD Single : A 199 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.01) 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=-0.00891 USER MOD Single : A 214 MET CE :methyl -160:sc= -2.26! (180deg=-4.34!) 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= -0.0202 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.142 5.120 7.136 1.00 0.00 N ATOM 16 CA SER A 149 -11.838 5.605 7.553 1.00 0.00 C ATOM 17 C SER A 149 -10.743 4.967 6.696 1.00 0.00 C ATOM 18 O SER A 149 -11.030 4.143 5.829 1.00 0.00 O ATOM 19 CB SER A 149 -11.589 5.314 9.034 1.00 0.00 C ATOM 20 OG SER A 149 -10.572 6.150 9.579 1.00 0.00 O ATOM 0 HA SER A 149 -11.816 6.686 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.514 5.458 9.592 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.303 4.269 9.155 1.00 0.00 H new ATOM 0 HG SER A 149 -10.553 6.050 10.554 1.00 0.00 H new ATOM 26 N ILE A 150 -9.511 5.374 6.967 1.00 0.00 N ATOM 27 CA ILE A 150 -8.372 4.852 6.230 1.00 0.00 C ATOM 28 C ILE A 150 -8.092 3.418 6.681 1.00 0.00 C ATOM 29 O ILE A 150 -7.451 2.651 5.965 1.00 0.00 O ATOM 30 CB ILE A 150 -7.169 5.787 6.371 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.580 7.245 6.156 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.035 5.366 5.436 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.838 7.528 4.675 1.00 0.00 C ATOM 0 H ILE A 150 -9.277 6.059 7.686 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.594 4.813 5.163 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.791 5.707 7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.478 7.462 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.796 7.906 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.192 6.047 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.719 4.352 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.383 5.399 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.129 8.571 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.930 7.333 4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.639 6.882 4.315 1.00 0.00 H new ATOM 45 N LEU A 151 -8.586 3.097 7.870 1.00 0.00 N ATOM 46 CA LEU A 151 -8.397 1.768 8.425 1.00 0.00 C ATOM 47 C LEU A 151 -9.081 0.740 7.521 1.00 0.00 C ATOM 48 O LEU A 151 -8.559 -0.353 7.312 1.00 0.00 O ATOM 49 CB LEU A 151 -8.873 1.723 9.878 1.00 0.00 C ATOM 50 CG LEU A 151 -10.375 1.917 10.100 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.058 0.588 10.427 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.638 2.976 11.171 1.00 0.00 C ATOM 0 H LEU A 151 -9.116 3.735 8.463 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.338 1.513 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.584 0.762 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.341 2.493 10.437 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.813 2.283 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.124 0.755 10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.915 -0.108 9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.623 0.169 11.334 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.713 3.094 11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.183 2.663 12.111 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.206 3.926 10.857 1.00 0.00 H new ATOM 64 N ASP A 152 -10.241 1.129 7.009 1.00 0.00 N ATOM 65 CA ASP A 152 -11.002 0.254 6.133 1.00 0.00 C ATOM 66 C ASP A 152 -10.168 -0.066 4.890 1.00 0.00 C ATOM 67 O ASP A 152 -10.375 -1.096 4.250 1.00 0.00 O ATOM 68 CB ASP A 152 -12.296 0.927 5.673 1.00 0.00 C ATOM 69 CG ASP A 152 -13.248 0.027 4.881 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.113 -1.205 4.888 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.171 0.650 4.230 1.00 0.00 O ATOM 0 H ASP A 152 -10.671 2.037 7.184 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.244 -0.652 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.822 1.305 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.040 1.790 5.058 1.00 0.00 H new ATOM 77 N ILE A 153 -9.244 0.833 4.588 1.00 0.00 N ATOM 78 CA ILE A 153 -8.378 0.659 3.434 1.00 0.00 C ATOM 79 C ILE A 153 -7.293 -0.368 3.767 1.00 0.00 C ATOM 80 O ILE A 153 -6.334 -0.056 4.470 1.00 0.00 O ATOM 81 CB ILE A 153 -7.828 2.008 2.969 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.930 2.864 2.343 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.641 1.818 2.021 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.179 2.880 3.226 1.00 0.00 C ATOM 0 H ILE A 153 -9.076 1.685 5.123 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.942 0.264 2.589 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.460 2.546 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.568 3.882 2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.182 2.474 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.268 2.792 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.848 1.276 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.961 1.251 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.947 3.496 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.552 1.863 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.928 3.293 4.203 1.00 0.00 H new ATOM 96 N ARG A 154 -7.482 -1.571 3.245 1.00 0.00 N ATOM 97 CA ARG A 154 -6.530 -2.644 3.478 1.00 0.00 C ATOM 98 C ARG A 154 -6.194 -3.349 2.161 1.00 0.00 C ATOM 99 O ARG A 154 -6.872 -3.151 1.155 1.00 0.00 O ATOM 100 CB ARG A 154 -7.089 -3.670 4.468 1.00 0.00 C ATOM 101 CG ARG A 154 -5.975 -4.247 5.344 1.00 0.00 C ATOM 102 CD ARG A 154 -6.076 -5.771 5.424 1.00 0.00 C ATOM 103 NE ARG A 154 -6.182 -6.197 6.839 1.00 0.00 N ATOM 104 CZ ARG A 154 -7.344 -6.272 7.522 1.00 0.00 C ATOM 105 NH1 ARG A 154 -8.511 -5.948 6.926 1.00 0.00 N ATOM 106 NH2 ARG A 154 -7.320 -6.664 8.782 1.00 0.00 N ATOM 0 H ARG A 154 -8.279 -1.826 2.662 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.627 -2.202 3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.845 -3.200 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.583 -4.475 3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.004 -3.964 4.937 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -6.038 -3.822 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -6.946 -6.116 4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -5.200 -6.227 4.963 1.00 0.00 H new ATOM 0 HE ARG A 154 -5.323 -6.449 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -8.519 -5.644 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -9.385 -6.007 7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -6.433 -6.904 9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -8.188 -6.726 9.313 1.00 0.00 H new ATOM 120 N GLN A 155 -5.144 -4.156 2.213 1.00 0.00 N ATOM 121 CA GLN A 155 -4.708 -4.891 1.037 1.00 0.00 C ATOM 122 C GLN A 155 -5.585 -6.127 0.829 1.00 0.00 C ATOM 123 O GLN A 155 -5.244 -7.219 1.279 1.00 0.00 O ATOM 124 CB GLN A 155 -3.233 -5.279 1.149 1.00 0.00 C ATOM 125 CG GLN A 155 -2.379 -4.479 0.163 1.00 0.00 C ATOM 126 CD GLN A 155 -0.924 -4.404 0.632 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.385 -5.327 1.222 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.321 -3.255 0.339 1.00 0.00 N ATOM 0 H GLN A 155 -4.583 -4.317 3.050 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.814 -4.243 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.883 -5.102 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.118 -6.345 0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.424 -4.943 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.784 -3.472 0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -0.830 -2.524 -0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.651 -3.105 0.610 1.00 0.00 H new ATOM 196 N PRO A 160 -5.797 -5.480 -5.905 1.00 0.00 N ATOM 197 CA PRO A 160 -4.383 -5.211 -6.094 1.00 0.00 C ATOM 198 C PRO A 160 -3.944 -3.987 -5.288 1.00 0.00 C ATOM 199 O PRO A 160 -4.764 -3.345 -4.631 1.00 0.00 O ATOM 200 CB PRO A 160 -4.214 -5.026 -7.593 1.00 0.00 C ATOM 201 CG PRO A 160 -5.605 -4.737 -8.136 1.00 0.00 C ATOM 202 CD PRO A 160 -6.610 -5.094 -7.054 1.00 0.00 C ATOM 0 HA PRO A 160 -3.750 -6.021 -5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -3.531 -4.205 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -3.793 -5.921 -8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -5.697 -3.686 -8.411 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -5.792 -5.320 -9.038 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.254 -4.247 -6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.260 -5.910 -7.371 1.00 0.00 H new ATOM 210 N PHE A 161 -2.653 -3.699 -5.363 1.00 0.00 N ATOM 211 CA PHE A 161 -2.096 -2.564 -4.648 1.00 0.00 C ATOM 212 C PHE A 161 -2.639 -1.246 -5.205 1.00 0.00 C ATOM 213 O PHE A 161 -2.846 -0.291 -4.457 1.00 0.00 O ATOM 214 CB PHE A 161 -0.580 -2.604 -4.856 1.00 0.00 C ATOM 215 CG PHE A 161 0.201 -1.687 -3.914 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.065 -1.819 -2.567 1.00 0.00 C ATOM 217 CD2 PHE A 161 1.033 -0.738 -4.422 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.790 -0.967 -1.693 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.758 0.113 -3.548 1.00 0.00 C ATOM 220 CZ PHE A 161 1.622 -0.019 -2.200 1.00 0.00 C ATOM 0 H PHE A 161 -1.976 -4.233 -5.909 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.364 -2.621 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.232 -3.628 -4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.357 -2.325 -5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.595 -2.572 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.142 -0.632 -5.491 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.680 -1.072 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.418 0.866 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.174 0.628 -1.535 1.00 0.00 H new ATOM 230 N ARG A 162 -2.856 -1.236 -6.511 1.00 0.00 N ATOM 231 CA ARG A 162 -3.371 -0.051 -7.176 1.00 0.00 C ATOM 232 C ARG A 162 -4.735 0.331 -6.596 1.00 0.00 C ATOM 233 O ARG A 162 -4.987 1.501 -6.314 1.00 0.00 O ATOM 234 CB ARG A 162 -3.512 -0.281 -8.682 1.00 0.00 C ATOM 235 CG ARG A 162 -3.105 0.967 -9.467 1.00 0.00 C ATOM 236 CD ARG A 162 -3.458 0.823 -10.950 1.00 0.00 C ATOM 237 NE ARG A 162 -4.646 1.645 -11.270 1.00 0.00 N ATOM 238 CZ ARG A 162 -5.206 1.722 -12.495 1.00 0.00 C ATOM 239 NH1 ARG A 162 -4.690 1.023 -13.529 1.00 0.00 N ATOM 240 NH2 ARG A 162 -6.265 2.490 -12.668 1.00 0.00 N ATOM 0 H ARG A 162 -2.685 -2.030 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.660 0.758 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.891 -1.124 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.543 -0.544 -8.919 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.608 1.841 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.033 1.135 -9.359 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.614 1.135 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -3.655 -0.223 -11.185 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.068 2.188 -10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -3.871 0.432 -13.387 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.119 1.086 -14.452 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.648 3.015 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.700 2.559 -13.588 1.00 0.00 H new ATOM 254 N ASP A 163 -5.579 -0.678 -6.437 1.00 0.00 N ATOM 255 CA ASP A 163 -6.910 -0.462 -5.896 1.00 0.00 C ATOM 256 C ASP A 163 -6.800 -0.077 -4.420 1.00 0.00 C ATOM 257 O ASP A 163 -7.604 0.705 -3.916 1.00 0.00 O ATOM 258 CB ASP A 163 -7.756 -1.733 -5.992 1.00 0.00 C ATOM 259 CG ASP A 163 -8.235 -2.087 -7.403 1.00 0.00 C ATOM 260 OD1 ASP A 163 -9.306 -2.687 -7.581 1.00 0.00 O ATOM 261 OD2 ASP A 163 -7.449 -1.715 -8.354 1.00 0.00 O ATOM 0 H ASP A 163 -5.367 -1.647 -6.673 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.384 0.331 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.175 -2.568 -5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.627 -1.621 -5.346 1.00 0.00 H new ATOM 267 N TYR A 164 -5.797 -0.645 -3.767 1.00 0.00 N ATOM 268 CA TYR A 164 -5.570 -0.370 -2.358 1.00 0.00 C ATOM 269 C TYR A 164 -5.101 1.069 -2.147 1.00 0.00 C ATOM 270 O TYR A 164 -5.490 1.718 -1.177 1.00 0.00 O ATOM 271 CB TYR A 164 -4.461 -1.326 -1.915 1.00 0.00 C ATOM 272 CG TYR A 164 -3.984 -1.104 -0.478 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.905 -0.952 0.539 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.634 -1.053 -0.201 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.457 -0.743 1.891 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.185 -0.843 1.152 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.118 -0.699 2.130 1.00 0.00 C ATOM 278 OH TYR A 164 -2.695 -0.500 3.408 1.00 0.00 O ATOM 0 H TYR A 164 -5.132 -1.294 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.490 -0.504 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.818 -2.351 -2.014 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.612 -1.218 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.962 -0.990 0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.914 -1.170 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.167 -0.624 2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.131 -0.801 1.384 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.718 -0.572 3.444 1.00 0.00 H new ATOM 288 N VAL A 165 -4.270 1.528 -3.072 1.00 0.00 N ATOM 289 CA VAL A 165 -3.744 2.880 -3.001 1.00 0.00 C ATOM 290 C VAL A 165 -4.865 3.876 -3.304 1.00 0.00 C ATOM 291 O VAL A 165 -5.013 4.880 -2.610 1.00 0.00 O ATOM 292 CB VAL A 165 -2.545 3.025 -3.940 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.366 4.479 -4.382 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.270 2.490 -3.287 1.00 0.00 C ATOM 0 H VAL A 165 -3.948 0.987 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.381 3.096 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.743 2.427 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.507 4.553 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.262 4.813 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.202 5.108 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.433 2.605 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.067 3.048 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.400 1.435 -3.046 1.00 0.00 H new ATOM 304 N ASP A 166 -5.625 3.565 -4.345 1.00 0.00 N ATOM 305 CA ASP A 166 -6.727 4.420 -4.748 1.00 0.00 C ATOM 306 C ASP A 166 -7.697 4.584 -3.576 1.00 0.00 C ATOM 307 O ASP A 166 -8.168 5.686 -3.304 1.00 0.00 O ATOM 308 CB ASP A 166 -7.500 3.808 -5.919 1.00 0.00 C ATOM 309 CG ASP A 166 -8.336 4.799 -6.730 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.044 6.003 -6.765 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.341 4.281 -7.353 1.00 0.00 O ATOM 0 H ASP A 166 -5.498 2.733 -4.921 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.313 5.381 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.791 3.321 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.159 3.030 -5.533 1.00 0.00 H new ATOM 317 N ARG A 167 -7.968 3.467 -2.914 1.00 0.00 N ATOM 318 CA ARG A 167 -8.873 3.471 -1.777 1.00 0.00 C ATOM 319 C ARG A 167 -8.288 4.306 -0.636 1.00 0.00 C ATOM 320 O ARG A 167 -8.993 5.101 -0.018 1.00 0.00 O ATOM 321 CB ARG A 167 -9.136 2.050 -1.278 1.00 0.00 C ATOM 322 CG ARG A 167 -10.606 1.869 -0.891 1.00 0.00 C ATOM 323 CD ARG A 167 -11.041 0.412 -1.058 1.00 0.00 C ATOM 324 NE ARG A 167 -12.207 0.332 -1.966 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.117 0.319 -3.313 1.00 0.00 C ATOM 326 NH1 ARG A 167 -10.914 0.378 -3.920 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.225 0.246 -4.027 1.00 0.00 N ATOM 0 H ARG A 167 -7.576 2.554 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.816 3.908 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.869 1.333 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.501 1.839 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.755 2.180 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.231 2.512 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.217 -0.178 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.296 -0.013 -0.087 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.136 0.284 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.063 0.433 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -10.855 0.368 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.131 0.201 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -13.175 0.235 -5.046 1.00 0.00 H new ATOM 341 N PHE A 168 -7.002 4.096 -0.391 1.00 0.00 N ATOM 342 CA PHE A 168 -6.315 4.819 0.666 1.00 0.00 C ATOM 343 C PHE A 168 -6.398 6.329 0.440 1.00 0.00 C ATOM 344 O PHE A 168 -6.715 7.081 1.360 1.00 0.00 O ATOM 345 CB PHE A 168 -4.847 4.388 0.619 1.00 0.00 C ATOM 346 CG PHE A 168 -3.995 4.958 1.754 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.400 6.173 1.614 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.832 4.250 2.905 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.610 6.703 2.668 1.00 0.00 C ATOM 350 CE2 PHE A 168 -3.041 4.779 3.958 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.447 5.994 3.817 1.00 0.00 C ATOM 0 H PHE A 168 -6.419 3.436 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.774 4.597 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.797 3.300 0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.418 4.698 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.529 6.735 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.305 3.285 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.139 7.668 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.911 4.217 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.845 6.396 4.618 1.00 0.00 H new ATOM 361 N TYR A 169 -6.107 6.729 -0.788 1.00 0.00 N ATOM 362 CA TYR A 169 -6.145 8.137 -1.147 1.00 0.00 C ATOM 363 C TYR A 169 -7.587 8.629 -1.285 1.00 0.00 C ATOM 364 O TYR A 169 -7.849 9.827 -1.196 1.00 0.00 O ATOM 365 CB TYR A 169 -5.448 8.247 -2.504 1.00 0.00 C ATOM 366 CG TYR A 169 -3.921 8.205 -2.425 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.293 7.193 -1.727 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.171 9.179 -3.052 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.856 7.154 -1.654 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.734 9.141 -2.978 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.146 8.130 -2.283 1.00 0.00 C ATOM 372 OH TYR A 169 0.211 8.093 -2.212 1.00 0.00 O ATOM 0 H TYR A 169 -5.843 6.102 -1.548 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.661 8.741 -0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.791 7.434 -3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.751 9.178 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.880 6.431 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.663 9.970 -3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.352 6.367 -1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.136 9.898 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 169 0.585 8.851 -2.708 1.00 0.00 H new ATOM 382 N LYS A 170 -8.485 7.678 -1.501 1.00 0.00 N ATOM 383 CA LYS A 170 -9.893 7.999 -1.654 1.00 0.00 C ATOM 384 C LYS A 170 -10.473 8.387 -0.292 1.00 0.00 C ATOM 385 O LYS A 170 -11.207 9.369 -0.182 1.00 0.00 O ATOM 386 CB LYS A 170 -10.635 6.846 -2.332 1.00 0.00 C ATOM 387 CG LYS A 170 -10.688 7.046 -3.848 1.00 0.00 C ATOM 388 CD LYS A 170 -11.303 5.827 -4.539 1.00 0.00 C ATOM 389 CE LYS A 170 -11.939 6.219 -5.875 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.657 5.066 -6.464 1.00 0.00 N ATOM 0 H LYS A 170 -8.264 6.685 -1.574 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.019 8.859 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.138 5.904 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.648 6.777 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.274 7.935 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.682 7.217 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.535 5.072 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.056 5.378 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.630 7.048 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -11.169 6.566 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.083 5.348 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.988 4.286 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.405 4.753 -5.813 1.00 0.00 H new ATOM 404 N THR A 171 -10.123 7.596 0.712 1.00 0.00 N ATOM 405 CA THR A 171 -10.600 7.844 2.063 1.00 0.00 C ATOM 406 C THR A 171 -9.867 9.040 2.675 1.00 0.00 C ATOM 407 O THR A 171 -10.464 9.829 3.406 1.00 0.00 O ATOM 408 CB THR A 171 -10.435 6.553 2.867 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.348 5.644 2.257 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.947 6.689 4.302 1.00 0.00 C ATOM 0 H THR A 171 -9.515 6.783 0.617 1.00 0.00 H new ATOM 0 HA THR A 171 -11.656 8.113 2.067 1.00 0.00 H new ATOM 0 HB THR A 171 -9.383 6.266 2.882 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.935 5.252 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.807 5.745 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.393 7.476 4.813 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.007 6.943 4.288 1.00 0.00 H new ATOM 418 N LEU A 172 -8.585 9.135 2.356 1.00 0.00 N ATOM 419 CA LEU A 172 -7.765 10.220 2.866 1.00 0.00 C ATOM 420 C LEU A 172 -8.386 11.558 2.456 1.00 0.00 C ATOM 421 O LEU A 172 -8.513 12.463 3.277 1.00 0.00 O ATOM 422 CB LEU A 172 -6.313 10.052 2.416 1.00 0.00 C ATOM 423 CG LEU A 172 -5.822 11.033 1.350 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.840 12.470 1.879 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.441 10.632 0.828 1.00 0.00 C ATOM 0 H LEU A 172 -8.094 8.478 1.750 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.740 10.200 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.670 10.145 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.187 9.039 2.034 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.509 10.991 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.487 13.148 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.857 12.741 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.189 12.545 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.116 11.346 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.728 10.627 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.493 9.636 0.388 1.00 0.00 H new ATOM 437 N ARG A 173 -8.752 11.638 1.185 1.00 0.00 N ATOM 438 CA ARG A 173 -9.354 12.850 0.656 1.00 0.00 C ATOM 439 C ARG A 173 -10.797 12.984 1.148 1.00 0.00 C ATOM 440 O ARG A 173 -11.448 13.998 0.905 1.00 0.00 O ATOM 441 CB ARG A 173 -9.343 12.847 -0.874 1.00 0.00 C ATOM 442 CG ARG A 173 -7.956 13.198 -1.414 1.00 0.00 C ATOM 443 CD ARG A 173 -7.964 13.277 -2.941 1.00 0.00 C ATOM 444 NE ARG A 173 -8.420 14.617 -3.376 1.00 0.00 N ATOM 445 CZ ARG A 173 -8.702 14.942 -4.655 1.00 0.00 C ATOM 446 NH1 ARG A 173 -8.576 14.026 -5.639 1.00 0.00 N ATOM 447 NH2 ARG A 173 -9.101 16.170 -4.930 1.00 0.00 N ATOM 0 H ARG A 173 -8.643 10.884 0.507 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.765 13.696 1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -9.642 11.865 -1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.074 13.564 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -7.632 14.152 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.235 12.448 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -6.965 13.080 -3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.621 12.510 -3.350 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.528 15.340 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.266 13.080 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -8.791 14.280 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -9.192 16.856 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -9.318 16.432 -5.891 1.00 0.00 H new ATOM 461 N ALA A 174 -11.254 11.944 1.832 1.00 0.00 N ATOM 462 CA ALA A 174 -12.607 11.934 2.362 1.00 0.00 C ATOM 463 C ALA A 174 -12.649 12.745 3.659 1.00 0.00 C ATOM 464 O ALA A 174 -13.723 13.121 4.124 1.00 0.00 O ATOM 465 CB ALA A 174 -13.064 10.488 2.563 1.00 0.00 C ATOM 0 H ALA A 174 -10.711 11.103 2.031 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.298 12.401 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.079 10.479 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.044 9.964 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.395 9.989 3.264 1.00 0.00 H new ATOM 630 N THR A 186 1.440 9.077 5.703 1.00 0.00 N ATOM 631 CA THR A 186 0.578 8.417 4.738 1.00 0.00 C ATOM 632 C THR A 186 1.141 7.043 4.369 1.00 0.00 C ATOM 633 O THR A 186 0.588 6.016 4.761 1.00 0.00 O ATOM 634 CB THR A 186 0.414 9.349 3.536 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.861 9.954 3.736 1.00 0.00 O ATOM 636 CG2 THR A 186 0.261 8.585 2.219 1.00 0.00 C ATOM 0 HA THR A 186 -0.410 8.226 5.157 1.00 0.00 H new ATOM 0 HB THR A 186 1.276 10.013 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 186 -1.047 10.576 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.148 9.293 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 186 1.146 7.971 2.049 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.620 7.945 2.270 1.00 0.00 H new ATOM 644 N GLU A 187 2.233 7.068 3.621 1.00 0.00 N ATOM 645 CA GLU A 187 2.877 5.838 3.194 1.00 0.00 C ATOM 646 C GLU A 187 3.035 4.884 4.382 1.00 0.00 C ATOM 647 O GLU A 187 3.043 3.667 4.206 1.00 0.00 O ATOM 648 CB GLU A 187 4.229 6.125 2.539 1.00 0.00 C ATOM 649 CG GLU A 187 5.311 6.365 3.593 1.00 0.00 C ATOM 650 CD GLU A 187 6.266 7.477 3.155 1.00 0.00 C ATOM 651 OE1 GLU A 187 7.050 7.287 2.212 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.176 8.572 3.831 1.00 0.00 O ATOM 0 H GLU A 187 2.689 7.922 3.299 1.00 0.00 H new ATOM 0 HA GLU A 187 2.244 5.359 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.515 5.286 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.146 6.999 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 187 4.846 6.633 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 187 5.871 5.445 3.761 1.00 0.00 H new ATOM 660 N THR A 188 3.159 5.473 5.561 1.00 0.00 N ATOM 661 CA THR A 188 3.317 4.692 6.775 1.00 0.00 C ATOM 662 C THR A 188 2.007 3.981 7.125 1.00 0.00 C ATOM 663 O THR A 188 2.021 2.839 7.584 1.00 0.00 O ATOM 664 CB THR A 188 3.814 5.627 7.879 1.00 0.00 C ATOM 665 OG1 THR A 188 5.074 5.079 8.257 1.00 0.00 O ATOM 666 CG2 THR A 188 2.970 5.533 9.151 1.00 0.00 C ATOM 0 H THR A 188 3.153 6.483 5.702 1.00 0.00 H new ATOM 0 HA THR A 188 4.056 3.901 6.643 1.00 0.00 H new ATOM 0 HB THR A 188 3.807 6.654 7.514 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.468 5.626 8.968 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.366 6.217 9.902 1.00 0.00 H new ATOM 0 HG22 THR A 188 1.938 5.802 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.003 4.514 9.535 1.00 0.00 H new ATOM 674 N LEU A 189 0.909 4.685 6.896 1.00 0.00 N ATOM 675 CA LEU A 189 -0.406 4.137 7.183 1.00 0.00 C ATOM 676 C LEU A 189 -0.734 3.051 6.156 1.00 0.00 C ATOM 677 O LEU A 189 -1.197 1.971 6.516 1.00 0.00 O ATOM 678 CB LEU A 189 -1.449 5.254 7.254 1.00 0.00 C ATOM 679 CG LEU A 189 -1.992 5.576 8.647 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.916 5.376 9.716 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.587 6.985 8.691 1.00 0.00 C ATOM 0 H LEU A 189 0.903 5.631 6.515 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.416 3.663 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -1.010 6.161 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.287 4.983 6.613 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.799 4.877 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.329 5.612 10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.579 4.339 9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -0.072 6.034 9.510 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.966 7.189 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.816 7.713 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.403 7.058 7.972 1.00 0.00 H new ATOM 693 N LEU A 190 -0.482 3.378 4.896 1.00 0.00 N ATOM 694 CA LEU A 190 -0.746 2.445 3.814 1.00 0.00 C ATOM 695 C LEU A 190 0.074 1.171 4.034 1.00 0.00 C ATOM 696 O LEU A 190 -0.436 0.064 3.868 1.00 0.00 O ATOM 697 CB LEU A 190 -0.497 3.111 2.459 1.00 0.00 C ATOM 698 CG LEU A 190 -0.601 2.200 1.235 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.866 2.505 0.430 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.662 2.290 0.376 1.00 0.00 C ATOM 0 H LEU A 190 -0.098 4.276 4.601 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.796 2.152 3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.210 3.927 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.498 3.556 2.473 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.682 1.170 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.915 1.843 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.743 2.348 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.842 3.541 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.562 1.633 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.799 3.317 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.526 1.985 0.966 1.00 0.00 H new ATOM 712 N VAL A 191 1.332 1.371 4.402 1.00 0.00 N ATOM 713 CA VAL A 191 2.227 0.253 4.646 1.00 0.00 C ATOM 714 C VAL A 191 1.758 -0.509 5.885 1.00 0.00 C ATOM 715 O VAL A 191 1.681 -1.737 5.872 1.00 0.00 O ATOM 716 CB VAL A 191 3.668 0.752 4.761 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.605 -0.373 5.203 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.139 1.375 3.445 1.00 0.00 C ATOM 0 H VAL A 191 1.752 2.291 4.537 1.00 0.00 H new ATOM 0 HA VAL A 191 2.204 -0.444 3.808 1.00 0.00 H new ATOM 0 HB VAL A 191 3.694 1.528 5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.623 0.009 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.288 -0.750 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.573 -1.181 4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.167 1.722 3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.090 0.629 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.497 2.218 3.191 1.00 0.00 H new ATOM 728 N GLN A 192 1.455 0.249 6.930 1.00 0.00 N ATOM 729 CA GLN A 192 0.995 -0.340 8.176 1.00 0.00 C ATOM 730 C GLN A 192 -0.352 -1.037 7.967 1.00 0.00 C ATOM 731 O GLN A 192 -0.601 -2.096 8.539 1.00 0.00 O ATOM 732 CB GLN A 192 0.904 0.715 9.279 1.00 0.00 C ATOM 733 CG GLN A 192 2.273 0.966 9.913 1.00 0.00 C ATOM 734 CD GLN A 192 2.129 1.588 11.303 1.00 0.00 C ATOM 735 OE1 GLN A 192 1.918 2.780 11.459 1.00 0.00 O ATOM 736 NE2 GLN A 192 2.253 0.717 12.302 1.00 0.00 N ATOM 0 H GLN A 192 1.519 1.267 6.938 1.00 0.00 H new ATOM 0 HA GLN A 192 1.722 -1.087 8.494 1.00 0.00 H new ATOM 0 HB2 GLN A 192 0.515 1.645 8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.200 0.387 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 192 2.821 0.027 9.986 1.00 0.00 H new ATOM 0 HG3 GLN A 192 2.858 1.627 9.274 1.00 0.00 H new ATOM 0 HE21 GLN A 192 2.429 -0.267 12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 192 2.172 1.034 13.268 1.00 0.00 H new ATOM 745 N ASN A 193 -1.185 -0.411 7.150 1.00 0.00 N ATOM 746 CA ASN A 193 -2.500 -0.956 6.861 1.00 0.00 C ATOM 747 C ASN A 193 -2.393 -1.945 5.698 1.00 0.00 C ATOM 748 O ASN A 193 -3.406 -2.424 5.190 1.00 0.00 O ATOM 749 CB ASN A 193 -3.477 0.149 6.453 1.00 0.00 C ATOM 750 CG ASN A 193 -4.926 -0.309 6.628 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.793 0.686 6.790 1.00 0.00 O flip ATOM 752 ND2 ASN A 193 -5.237 -1.489 6.615 1.00 0.00 N flip ATOM 0 H ASN A 193 -0.975 0.469 6.679 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.867 -1.447 7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.298 1.039 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.303 0.428 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -4.521 -2.204 6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -6.213 -1.760 6.733 1.00 0.00 H new ATOM 759 N ALA A 194 -1.156 -2.222 5.312 1.00 0.00 N ATOM 760 CA ALA A 194 -0.903 -3.147 4.218 1.00 0.00 C ATOM 761 C ALA A 194 -0.636 -4.541 4.787 1.00 0.00 C ATOM 762 O ALA A 194 -0.261 -4.680 5.950 1.00 0.00 O ATOM 763 CB ALA A 194 0.262 -2.628 3.372 1.00 0.00 C ATOM 0 H ALA A 194 -0.318 -1.823 5.736 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.773 -3.219 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.453 -3.320 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.010 -1.647 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.154 -2.546 3.993 1.00 0.00 H new ATOM 769 N ASN A 195 -0.840 -5.540 3.941 1.00 0.00 N ATOM 770 CA ASN A 195 -0.626 -6.919 4.344 1.00 0.00 C ATOM 771 C ASN A 195 0.721 -7.032 5.062 1.00 0.00 C ATOM 772 O ASN A 195 1.489 -6.073 5.103 1.00 0.00 O ATOM 773 CB ASN A 195 -0.594 -7.848 3.130 1.00 0.00 C ATOM 774 CG ASN A 195 -1.718 -8.883 3.201 1.00 0.00 C ATOM 775 OD1 ASN A 195 -1.526 -10.066 2.971 1.00 0.00 O ATOM 776 ND2 ASN A 195 -2.902 -8.374 3.532 1.00 0.00 N ATOM 0 H ASN A 195 -1.152 -5.421 2.977 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.446 -7.211 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.692 -7.262 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.370 -8.355 3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -3.716 -8.984 3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -2.995 -7.374 3.712 1.00 0.00 H new ATOM 783 N PRO A 196 0.970 -8.244 5.626 1.00 0.00 N ATOM 784 CA PRO A 196 2.210 -8.495 6.341 1.00 0.00 C ATOM 785 C PRO A 196 3.378 -8.669 5.369 1.00 0.00 C ATOM 786 O PRO A 196 4.398 -7.992 5.492 1.00 0.00 O ATOM 787 CB PRO A 196 1.940 -9.739 7.172 1.00 0.00 C ATOM 788 CG PRO A 196 0.725 -10.404 6.544 1.00 0.00 C ATOM 789 CD PRO A 196 0.082 -9.403 5.598 1.00 0.00 C ATOM 0 HA PRO A 196 2.503 -7.661 6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.800 -10.409 7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.749 -9.479 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.019 -11.304 6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.017 -10.711 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 196 -0.006 -9.810 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.924 -9.139 5.924 1.00 0.00 H new ATOM 797 N ASP A 197 3.190 -9.579 4.424 1.00 0.00 N ATOM 798 CA ASP A 197 4.216 -9.849 3.431 1.00 0.00 C ATOM 799 C ASP A 197 4.639 -8.534 2.771 1.00 0.00 C ATOM 800 O ASP A 197 5.830 -8.245 2.663 1.00 0.00 O ATOM 801 CB ASP A 197 3.693 -10.781 2.338 1.00 0.00 C ATOM 802 CG ASP A 197 2.963 -12.026 2.844 1.00 0.00 C ATOM 803 OD1 ASP A 197 1.849 -12.341 2.397 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.593 -12.696 3.749 1.00 0.00 O ATOM 0 H ASP A 197 2.343 -10.138 4.325 1.00 0.00 H new ATOM 0 HA ASP A 197 5.058 -10.323 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.017 -10.218 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.533 -11.097 1.719 1.00 0.00 H new ATOM 810 N CYS A 198 3.639 -7.775 2.344 1.00 0.00 N ATOM 811 CA CYS A 198 3.893 -6.500 1.698 1.00 0.00 C ATOM 812 C CYS A 198 4.774 -5.658 2.623 1.00 0.00 C ATOM 813 O CYS A 198 5.651 -4.930 2.159 1.00 0.00 O ATOM 814 CB CYS A 198 2.592 -5.779 1.337 1.00 0.00 C ATOM 815 SG CYS A 198 2.944 -4.369 0.226 1.00 0.00 S ATOM 0 H CYS A 198 2.653 -8.019 2.433 1.00 0.00 H new ATOM 0 HA CYS A 198 4.414 -6.666 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.905 -6.472 0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.100 -5.425 2.243 1.00 0.00 H new ATOM 0 HG CYS A 198 2.339 -4.550 -0.910 1.00 0.00 H new ATOM 821 N LYS A 199 4.510 -5.784 3.915 1.00 0.00 N ATOM 822 CA LYS A 199 5.267 -5.044 4.910 1.00 0.00 C ATOM 823 C LYS A 199 6.750 -5.392 4.777 1.00 0.00 C ATOM 824 O LYS A 199 7.603 -4.504 4.776 1.00 0.00 O ATOM 825 CB LYS A 199 4.699 -5.291 6.308 1.00 0.00 C ATOM 826 CG LYS A 199 5.156 -4.205 7.286 1.00 0.00 C ATOM 827 CD LYS A 199 5.803 -4.823 8.528 1.00 0.00 C ATOM 828 CE LYS A 199 5.918 -3.795 9.655 1.00 0.00 C ATOM 829 NZ LYS A 199 7.074 -4.103 10.524 1.00 0.00 N ATOM 0 H LYS A 199 3.782 -6.388 4.296 1.00 0.00 H new ATOM 0 HA LYS A 199 5.175 -3.971 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.610 -5.311 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.021 -6.268 6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.867 -3.542 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 199 4.303 -3.594 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 199 5.211 -5.674 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 199 6.793 -5.204 8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 199 6.029 -2.796 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 199 5.002 -3.792 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 6.796 -4.001 11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 7.388 -5.079 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 7.852 -3.446 10.313 1.00 0.00 H new ATOM 843 N THR A 200 7.015 -6.685 4.669 1.00 0.00 N ATOM 844 CA THR A 200 8.381 -7.162 4.537 1.00 0.00 C ATOM 845 C THR A 200 9.007 -6.630 3.246 1.00 0.00 C ATOM 846 O THR A 200 10.174 -6.238 3.234 1.00 0.00 O ATOM 847 CB THR A 200 8.360 -8.689 4.619 1.00 0.00 C ATOM 848 OG1 THR A 200 7.887 -8.960 5.935 1.00 0.00 O ATOM 849 CG2 THR A 200 9.763 -9.298 4.594 1.00 0.00 C ATOM 0 H THR A 200 6.306 -7.418 4.670 1.00 0.00 H new ATOM 0 HA THR A 200 9.011 -6.789 5.345 1.00 0.00 H new ATOM 0 HB THR A 200 7.778 -9.088 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.841 -9.929 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.689 -10.384 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.264 -9.020 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.337 -8.925 5.443 1.00 0.00 H new ATOM 857 N ILE A 201 8.208 -6.636 2.191 1.00 0.00 N ATOM 858 CA ILE A 201 8.669 -6.159 0.899 1.00 0.00 C ATOM 859 C ILE A 201 8.942 -4.655 0.981 1.00 0.00 C ATOM 860 O ILE A 201 9.880 -4.157 0.362 1.00 0.00 O ATOM 861 CB ILE A 201 7.675 -6.544 -0.201 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.038 -7.904 0.089 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.340 -6.505 -1.578 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.858 -8.711 -1.198 1.00 0.00 C ATOM 0 H ILE A 201 7.242 -6.964 2.204 1.00 0.00 H new ATOM 0 HA ILE A 201 9.610 -6.640 0.630 1.00 0.00 H new ATOM 0 HB ILE A 201 6.872 -5.807 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.663 -8.461 0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.071 -7.761 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.613 -6.782 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.708 -5.498 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.174 -7.207 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.403 -9.673 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.213 -8.162 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.830 -8.873 -1.665 1.00 0.00 H new ATOM 876 N LEU A 202 8.105 -3.976 1.751 1.00 0.00 N ATOM 877 CA LEU A 202 8.245 -2.540 1.925 1.00 0.00 C ATOM 878 C LEU A 202 9.469 -2.252 2.795 1.00 0.00 C ATOM 879 O LEU A 202 10.081 -1.191 2.680 1.00 0.00 O ATOM 880 CB LEU A 202 6.947 -1.938 2.467 1.00 0.00 C ATOM 881 CG LEU A 202 6.023 -1.292 1.432 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.555 -1.463 1.825 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.390 0.177 1.211 1.00 0.00 C ATOM 0 H LEU A 202 7.327 -4.394 2.262 1.00 0.00 H new ATOM 0 HA LEU A 202 8.417 -2.054 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.392 -2.723 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.203 -1.188 3.215 1.00 0.00 H new ATOM 0 HG LEU A 202 6.163 -1.806 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.920 -0.995 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.317 -2.525 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.380 -0.991 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.718 0.612 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.296 0.721 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.417 0.246 0.853 1.00 0.00 H new ATOM 895 N LYS A 203 9.788 -3.215 3.647 1.00 0.00 N ATOM 896 CA LYS A 203 10.929 -3.078 4.538 1.00 0.00 C ATOM 897 C LYS A 203 12.220 -3.212 3.730 1.00 0.00 C ATOM 898 O LYS A 203 13.132 -2.397 3.869 1.00 0.00 O ATOM 899 CB LYS A 203 10.824 -4.068 5.700 1.00 0.00 C ATOM 900 CG LYS A 203 10.173 -3.414 6.921 1.00 0.00 C ATOM 901 CD LYS A 203 9.944 -4.438 8.034 1.00 0.00 C ATOM 902 CE LYS A 203 11.275 -4.936 8.603 1.00 0.00 C ATOM 903 NZ LYS A 203 11.404 -6.398 8.415 1.00 0.00 N ATOM 0 H LYS A 203 9.277 -4.093 3.740 1.00 0.00 H new ATOM 0 HA LYS A 203 10.940 -2.088 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.239 -4.935 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.817 -4.431 5.964 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.808 -2.608 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.222 -2.965 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.349 -3.989 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.372 -5.281 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 203 12.102 -4.426 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.338 -4.693 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.312 -6.720 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.625 -6.881 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.366 -6.622 7.400 1.00 0.00 H new ATOM 917 N ALA A 204 12.259 -4.246 2.902 1.00 0.00 N ATOM 918 CA ALA A 204 13.424 -4.498 2.072 1.00 0.00 C ATOM 919 C ALA A 204 13.474 -3.464 0.946 1.00 0.00 C ATOM 920 O ALA A 204 14.545 -3.167 0.418 1.00 0.00 O ATOM 921 CB ALA A 204 13.375 -5.933 1.544 1.00 0.00 C ATOM 0 H ALA A 204 11.501 -4.919 2.788 1.00 0.00 H new ATOM 0 HA ALA A 204 14.340 -4.397 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.249 -6.122 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.370 -6.629 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.471 -6.072 0.951 1.00 0.00 H new ATOM 927 N LEU A 205 12.302 -2.945 0.608 1.00 0.00 N ATOM 928 CA LEU A 205 12.200 -1.951 -0.447 1.00 0.00 C ATOM 929 C LEU A 205 12.895 -0.664 0.001 1.00 0.00 C ATOM 930 O LEU A 205 13.979 -0.341 -0.481 1.00 0.00 O ATOM 931 CB LEU A 205 10.738 -1.751 -0.854 1.00 0.00 C ATOM 932 CG LEU A 205 10.357 -0.342 -1.310 1.00 0.00 C ATOM 933 CD1 LEU A 205 9.572 -0.384 -2.623 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.597 0.404 -0.212 1.00 0.00 C ATOM 0 H LEU A 205 11.415 -3.194 1.046 1.00 0.00 H new ATOM 0 HA LEU A 205 12.714 -2.294 -1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.507 -2.447 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.106 -2.021 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 205 11.275 0.214 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.313 0.631 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.183 -0.849 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 205 8.660 -0.964 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.338 1.403 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.686 -0.141 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.224 0.482 0.676 1.00 0.00 H new ATOM 946 N GLY A 206 12.243 0.033 0.919 1.00 0.00 N ATOM 947 CA GLY A 206 12.784 1.279 1.438 1.00 0.00 C ATOM 948 C GLY A 206 11.848 1.893 2.479 1.00 0.00 C ATOM 949 O GLY A 206 10.628 1.849 2.326 1.00 0.00 O ATOM 0 H GLY A 206 11.345 -0.241 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.761 1.097 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 206 12.935 1.983 0.619 1.00 0.00 H new ATOM 953 N PRO A 207 12.470 2.464 3.547 1.00 0.00 N ATOM 954 CA PRO A 207 11.705 3.085 4.614 1.00 0.00 C ATOM 955 C PRO A 207 11.145 4.439 4.171 1.00 0.00 C ATOM 956 O PRO A 207 11.389 5.457 4.816 1.00 0.00 O ATOM 957 CB PRO A 207 12.674 3.196 5.779 1.00 0.00 C ATOM 958 CG PRO A 207 14.065 3.062 5.179 1.00 0.00 C ATOM 959 CD PRO A 207 13.912 2.532 3.762 1.00 0.00 C ATOM 0 HA PRO A 207 10.828 2.503 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.560 4.151 6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.490 2.414 6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.573 4.026 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.675 2.384 5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.390 3.192 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.375 1.551 3.653 1.00 0.00 H new ATOM 967 N GLY A 208 10.406 4.407 3.072 1.00 0.00 N ATOM 968 CA GLY A 208 9.810 5.618 2.536 1.00 0.00 C ATOM 969 C GLY A 208 10.071 5.739 1.033 1.00 0.00 C ATOM 970 O GLY A 208 10.509 6.785 0.557 1.00 0.00 O ATOM 0 H GLY A 208 10.207 3.561 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 208 8.736 5.613 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 208 10.219 6.487 3.051 1.00 0.00 H new ATOM 974 N ALA A 209 9.791 4.653 0.326 1.00 0.00 N ATOM 975 CA ALA A 209 9.991 4.623 -1.112 1.00 0.00 C ATOM 976 C ALA A 209 8.810 5.310 -1.801 1.00 0.00 C ATOM 977 O ALA A 209 7.790 5.581 -1.168 1.00 0.00 O ATOM 978 CB ALA A 209 10.173 3.176 -1.573 1.00 0.00 C ATOM 0 H ALA A 209 9.427 3.787 0.724 1.00 0.00 H new ATOM 0 HA ALA A 209 10.895 5.168 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.323 3.154 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.042 2.743 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.284 2.599 -1.319 1.00 0.00 H new ATOM 984 N THR A 210 8.987 5.573 -3.087 1.00 0.00 N ATOM 985 CA THR A 210 7.949 6.224 -3.868 1.00 0.00 C ATOM 986 C THR A 210 6.831 5.232 -4.200 1.00 0.00 C ATOM 987 O THR A 210 7.041 4.020 -4.167 1.00 0.00 O ATOM 988 CB THR A 210 8.603 6.838 -5.107 1.00 0.00 C ATOM 989 OG1 THR A 210 7.582 7.659 -5.668 1.00 0.00 O ATOM 990 CG2 THR A 210 8.888 5.799 -6.195 1.00 0.00 C ATOM 0 H THR A 210 9.834 5.347 -3.608 1.00 0.00 H new ATOM 0 HA THR A 210 7.474 7.026 -3.303 1.00 0.00 H new ATOM 0 HB THR A 210 9.534 7.328 -4.821 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.922 8.097 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.352 6.287 -7.052 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.562 5.037 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.953 5.332 -6.506 1.00 0.00 H new ATOM 998 N LEU A 211 5.668 5.784 -4.511 1.00 0.00 N ATOM 999 CA LEU A 211 4.516 4.964 -4.849 1.00 0.00 C ATOM 1000 C LEU A 211 4.938 3.890 -5.853 1.00 0.00 C ATOM 1001 O LEU A 211 4.550 2.729 -5.726 1.00 0.00 O ATOM 1002 CB LEU A 211 3.358 5.839 -5.333 1.00 0.00 C ATOM 1003 CG LEU A 211 1.966 5.210 -5.256 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.904 3.913 -6.065 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.538 5.002 -3.803 1.00 0.00 C ATOM 0 H LEU A 211 5.498 6.789 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 211 4.144 4.446 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.353 6.758 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.550 6.122 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 211 1.253 5.902 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.903 3.487 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.134 4.124 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.630 3.203 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.545 4.554 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.248 4.341 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.516 5.963 -3.289 1.00 0.00 H new ATOM 1017 N GLU A 212 5.727 4.315 -6.829 1.00 0.00 N ATOM 1018 CA GLU A 212 6.205 3.403 -7.855 1.00 0.00 C ATOM 1019 C GLU A 212 6.973 2.244 -7.217 1.00 0.00 C ATOM 1020 O GLU A 212 6.789 1.088 -7.597 1.00 0.00 O ATOM 1021 CB GLU A 212 7.071 4.137 -8.880 1.00 0.00 C ATOM 1022 CG GLU A 212 6.901 3.533 -10.275 1.00 0.00 C ATOM 1023 CD GLU A 212 7.784 4.254 -11.295 1.00 0.00 C ATOM 1024 OE1 GLU A 212 8.758 4.918 -10.913 1.00 0.00 O ATOM 1025 OE2 GLU A 212 7.431 4.101 -12.528 1.00 0.00 O ATOM 0 H GLU A 212 6.047 5.278 -6.931 1.00 0.00 H new ATOM 0 HA GLU A 212 5.343 2.995 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.799 5.192 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.118 4.083 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.158 2.474 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.857 3.601 -10.580 1.00 0.00 H new ATOM 1033 N GLU A 213 7.820 2.592 -6.259 1.00 0.00 N ATOM 1034 CA GLU A 213 8.618 1.594 -5.566 1.00 0.00 C ATOM 1035 C GLU A 213 7.719 0.694 -4.715 1.00 0.00 C ATOM 1036 O GLU A 213 7.929 -0.516 -4.650 1.00 0.00 O ATOM 1037 CB GLU A 213 9.700 2.255 -4.711 1.00 0.00 C ATOM 1038 CG GLU A 213 10.908 1.331 -4.544 1.00 0.00 C ATOM 1039 CD GLU A 213 12.130 1.888 -5.277 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.178 3.090 -5.578 1.00 0.00 O ATOM 1041 OE2 GLU A 213 13.052 1.024 -5.533 1.00 0.00 O ATOM 0 H GLU A 213 7.971 3.551 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 213 9.118 0.975 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.014 3.190 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.292 2.506 -3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.137 1.214 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.668 0.340 -4.930 1.00 0.00 H new ATOM 1049 N MET A 214 6.737 1.321 -4.084 1.00 0.00 N ATOM 1050 CA MET A 214 5.806 0.592 -3.239 1.00 0.00 C ATOM 1051 C MET A 214 5.005 -0.424 -4.057 1.00 0.00 C ATOM 1052 O MET A 214 4.804 -1.557 -3.620 1.00 0.00 O ATOM 1053 CB MET A 214 4.847 1.578 -2.567 1.00 0.00 C ATOM 1054 CG MET A 214 5.594 2.493 -1.596 1.00 0.00 C ATOM 1055 SD MET A 214 4.560 2.866 -0.190 1.00 0.00 S ATOM 1056 CE MET A 214 5.788 3.490 0.943 1.00 0.00 C ATOM 0 H MET A 214 6.566 2.325 -4.141 1.00 0.00 H new ATOM 0 HA MET A 214 6.376 0.053 -2.482 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.346 2.179 -3.326 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.072 1.030 -2.032 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.514 2.011 -1.264 1.00 0.00 H new ATOM 0 HG3 MET A 214 5.882 3.415 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 214 5.403 3.437 1.962 1.00 0.00 H new ATOM 0 HE2 MET A 214 6.694 2.888 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 214 6.018 4.526 0.695 1.00 0.00 H new ATOM 1066 N MET A 215 4.568 0.019 -5.227 1.00 0.00 N ATOM 1067 CA MET A 215 3.792 -0.838 -6.108 1.00 0.00 C ATOM 1068 C MET A 215 4.673 -1.923 -6.732 1.00 0.00 C ATOM 1069 O MET A 215 4.204 -3.027 -7.004 1.00 0.00 O ATOM 1070 CB MET A 215 3.160 0.007 -7.216 1.00 0.00 C ATOM 1071 CG MET A 215 1.903 -0.665 -7.770 1.00 0.00 C ATOM 1072 SD MET A 215 2.004 -0.779 -9.548 1.00 0.00 S ATOM 1073 CE MET A 215 0.637 -1.881 -9.866 1.00 0.00 C ATOM 0 H MET A 215 4.736 0.959 -5.585 1.00 0.00 H new ATOM 0 HA MET A 215 3.013 -1.323 -5.520 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.908 0.993 -6.827 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.881 0.157 -8.020 1.00 0.00 H new ATOM 0 HG2 MET A 215 1.793 -1.660 -7.339 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.020 -0.094 -7.484 1.00 0.00 H new ATOM 0 HE1 MET A 215 0.556 -2.060 -10.938 1.00 0.00 H new ATOM 0 HE2 MET A 215 0.805 -2.827 -9.351 1.00 0.00 H new ATOM 0 HE3 MET A 215 -0.286 -1.430 -9.503 1.00 0.00 H new ATOM 1083 N THR A 216 5.932 -1.569 -6.941 1.00 0.00 N ATOM 1084 CA THR A 216 6.882 -2.500 -7.528 1.00 0.00 C ATOM 1085 C THR A 216 7.133 -3.674 -6.581 1.00 0.00 C ATOM 1086 O THR A 216 7.237 -4.819 -7.021 1.00 0.00 O ATOM 1087 CB THR A 216 8.151 -1.720 -7.877 1.00 0.00 C ATOM 1088 OG1 THR A 216 8.038 -1.479 -9.277 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.416 -2.572 -7.748 1.00 0.00 C ATOM 0 H THR A 216 6.317 -0.652 -6.715 1.00 0.00 H new ATOM 0 HA THR A 216 6.490 -2.941 -8.444 1.00 0.00 H new ATOM 0 HB THR A 216 8.231 -0.849 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.820 -0.976 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.288 -1.971 -8.007 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.512 -2.928 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.350 -3.425 -8.423 1.00 0.00 H new ATOM 1097 N ALA A 217 7.223 -3.353 -5.299 1.00 0.00 N ATOM 1098 CA ALA A 217 7.458 -4.368 -4.286 1.00 0.00 C ATOM 1099 C ALA A 217 6.192 -5.208 -4.110 1.00 0.00 C ATOM 1100 O ALA A 217 6.258 -6.435 -4.066 1.00 0.00 O ATOM 1101 CB ALA A 217 7.900 -3.697 -2.984 1.00 0.00 C ATOM 0 H ALA A 217 7.137 -2.403 -4.938 1.00 0.00 H new ATOM 0 HA ALA A 217 8.259 -5.040 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.076 -4.458 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.819 -3.137 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.120 -3.017 -2.642 1.00 0.00 H new ATOM 1107 N CYS A 218 5.067 -4.514 -4.012 1.00 0.00 N ATOM 1108 CA CYS A 218 3.790 -5.180 -3.839 1.00 0.00 C ATOM 1109 C CYS A 218 3.614 -6.187 -4.978 1.00 0.00 C ATOM 1110 O CYS A 218 3.166 -7.310 -4.756 1.00 0.00 O ATOM 1111 CB CYS A 218 2.632 -4.180 -3.779 1.00 0.00 C ATOM 1112 SG CYS A 218 1.166 -4.964 -3.015 1.00 0.00 S ATOM 0 H CYS A 218 5.015 -3.496 -4.049 1.00 0.00 H new ATOM 0 HA CYS A 218 3.780 -5.706 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.927 -3.303 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.387 -3.834 -4.783 1.00 0.00 H new ATOM 0 HG CYS A 218 0.354 -4.043 -2.588 1.00 0.00 H new ATOM 1118 N GLN A 219 3.978 -5.747 -6.174 1.00 0.00 N ATOM 1119 CA GLN A 219 3.868 -6.595 -7.349 1.00 0.00 C ATOM 1120 C GLN A 219 4.752 -7.833 -7.195 1.00 0.00 C ATOM 1121 O GLN A 219 4.493 -8.867 -7.810 1.00 0.00 O ATOM 1122 CB GLN A 219 4.223 -5.821 -8.619 1.00 0.00 C ATOM 1123 CG GLN A 219 3.094 -5.907 -9.649 1.00 0.00 C ATOM 1124 CD GLN A 219 3.610 -5.593 -11.056 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.215 -4.563 -11.308 1.00 0.00 O ATOM 1126 NE2 GLN A 219 3.339 -6.536 -11.953 1.00 0.00 N ATOM 0 H GLN A 219 4.349 -4.814 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 219 2.832 -6.922 -7.441 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.415 -4.777 -8.371 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.142 -6.221 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.657 -6.905 -9.632 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.301 -5.208 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 219 2.828 -7.374 -11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.642 -6.422 -12.920 1.00 0.00 H new ATOM 1135 N GLY A 220 5.779 -7.689 -6.370 1.00 0.00 N ATOM 1136 CA GLY A 220 6.704 -8.783 -6.127 1.00 0.00 C ATOM 1137 C GLY A 220 6.115 -9.791 -5.137 1.00 0.00 C ATOM 1138 O GLY A 220 6.517 -10.953 -5.114 1.00 0.00 O ATOM 0 H GLY A 220 5.991 -6.831 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.935 -9.284 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.643 -8.390 -5.736 1.00 0.00 H new ATOM 1142 N VAL A 221 5.170 -9.307 -4.343 1.00 0.00 N ATOM 1143 CA VAL A 221 4.520 -10.151 -3.354 1.00 0.00 C ATOM 1144 C VAL A 221 4.152 -11.489 -3.994 1.00 0.00 C ATOM 1145 O VAL A 221 3.885 -11.554 -5.194 1.00 0.00 O ATOM 1146 CB VAL A 221 3.316 -9.423 -2.755 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.068 -9.627 -3.616 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.068 -9.868 -1.312 1.00 0.00 C ATOM 0 H VAL A 221 4.839 -8.342 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 221 5.199 -10.363 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 221 3.542 -8.357 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.226 -9.099 -3.168 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.249 -9.237 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.838 -10.691 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.206 -9.335 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.874 -10.940 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 221 3.947 -9.646 -0.707 1.00 0.00 H new