USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 120 THR OG1 : rot 97:sc= 0.577 USER MOD Set 1.2: A 175 ASN : amide:sc= 0.999 K(o=1.6,f=0.71) USER MOD Set 2.1: A 128 TYR OH : rot 180:sc= 0.0577 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 0.784 K(o=0.84,f=-3!) USER MOD Single : A 109 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.21) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.365 USER MOD Single : A 126 LYS NZ :NH3+ 160:sc= 1.83 (180deg=1.45) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= 1.46 K(o=1.5,f=-0.00047) USER MOD Single : A 134 LYS NZ :NH3+ -159:sc= 2.43 (180deg=1.78) USER MOD Single : A 139 MET CE :methyl -167:sc= -0.0483 (180deg=-0.26) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 149 HIS : no HD1:sc= 1.14 K(o=1.1,f=-6.9!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot -20:sc= 0 USER MOD Single : A 170 HIS : no HD1:sc= 0.876 K(o=0.88,f=-2.9!) USER MOD Single : A 176 ASN : amide:sc= -0.0962 K(o=-0.096,f=-0.86) USER MOD Single : A 177 LYS NZ :NH3+ -127:sc= 0.011 (180deg=-0.0692) USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 181 CYS SG : rot -60:sc= -0.175 USER MOD Single : A 182 LYS NZ :NH3+ 167:sc= 0.822 (180deg=0.302) USER MOD Single : A 183 LYS NZ :NH3+ -172:sc= 1.16 (180deg=0.96) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -2.230 8.775 0.484 1.00 0.00 N ATOM 56 CA LYS A 109 -2.508 7.602 -0.376 1.00 0.00 C ATOM 57 C LYS A 109 -1.743 6.311 -0.031 1.00 0.00 C ATOM 58 O LYS A 109 -1.939 5.306 -0.716 1.00 0.00 O ATOM 59 CB LYS A 109 -2.329 7.956 -1.863 1.00 0.00 C ATOM 60 CG LYS A 109 -3.308 9.049 -2.318 1.00 0.00 C ATOM 61 CD LYS A 109 -3.524 9.042 -3.834 1.00 0.00 C ATOM 62 CE LYS A 109 -2.239 9.339 -4.626 1.00 0.00 C ATOM 63 NZ LYS A 109 -2.304 8.772 -5.996 1.00 0.00 N ATOM 0 HA LYS A 109 -3.550 7.363 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.306 8.291 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.477 7.062 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.265 8.908 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.928 10.024 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.913 8.070 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.282 9.782 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.086 10.417 -4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.380 8.923 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.515 9.142 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.238 7.735 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.205 9.040 -6.440 1.00 0.00 H new ATOM 77 N LYS A 110 -0.863 6.316 0.978 1.00 0.00 N ATOM 78 CA LYS A 110 -0.009 5.169 1.344 1.00 0.00 C ATOM 79 C LYS A 110 -0.488 4.453 2.616 1.00 0.00 C ATOM 80 O LYS A 110 -0.742 5.094 3.638 1.00 0.00 O ATOM 81 CB LYS A 110 1.458 5.630 1.432 1.00 0.00 C ATOM 82 CG LYS A 110 2.444 4.449 1.464 1.00 0.00 C ATOM 83 CD LYS A 110 3.916 4.899 1.450 1.00 0.00 C ATOM 84 CE LYS A 110 4.330 5.501 2.799 1.00 0.00 C ATOM 85 NZ LYS A 110 5.750 5.937 2.819 1.00 0.00 N ATOM 0 H LYS A 110 -0.719 7.130 1.576 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.086 4.417 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.687 6.268 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.592 6.236 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.260 3.852 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.258 3.803 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.556 4.048 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.066 5.635 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.689 6.353 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.169 4.764 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.978 6.336 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.366 5.121 2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.901 6.660 2.087 1.00 0.00 H new ATOM 99 N ILE A 111 -0.546 3.122 2.573 1.00 0.00 N ATOM 100 CA ILE A 111 -0.769 2.244 3.734 1.00 0.00 C ATOM 101 C ILE A 111 0.476 1.412 4.051 1.00 0.00 C ATOM 102 O ILE A 111 1.294 1.119 3.179 1.00 0.00 O ATOM 103 CB ILE A 111 -1.977 1.291 3.540 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.786 0.313 2.359 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.273 2.092 3.393 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.872 -0.763 2.222 1.00 0.00 C ATOM 0 H ILE A 111 -0.436 2.603 1.702 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.989 2.909 4.570 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.045 0.675 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.748 0.888 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.820 -0.180 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.110 1.408 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.435 2.690 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.198 2.749 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.648 -1.399 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.899 -1.370 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.841 -0.286 2.076 1.00 0.00 H new ATOM 118 N PHE A 112 0.573 1.019 5.314 1.00 0.00 N ATOM 119 CA PHE A 112 1.458 -0.003 5.854 1.00 0.00 C ATOM 120 C PHE A 112 0.668 -1.321 5.925 1.00 0.00 C ATOM 121 O PHE A 112 -0.522 -1.314 6.253 1.00 0.00 O ATOM 122 CB PHE A 112 1.920 0.446 7.246 1.00 0.00 C ATOM 123 CG PHE A 112 2.830 -0.526 7.974 1.00 0.00 C ATOM 124 CD1 PHE A 112 2.293 -1.571 8.749 1.00 0.00 C ATOM 125 CD2 PHE A 112 4.222 -0.358 7.915 1.00 0.00 C ATOM 126 CE1 PHE A 112 3.137 -2.409 9.498 1.00 0.00 C ATOM 127 CE2 PHE A 112 5.069 -1.202 8.647 1.00 0.00 C ATOM 128 CZ PHE A 112 4.531 -2.223 9.449 1.00 0.00 C ATOM 0 H PHE A 112 -0.008 1.437 6.041 1.00 0.00 H new ATOM 0 HA PHE A 112 2.338 -0.151 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.439 1.400 7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.039 0.624 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.225 -1.730 8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.643 0.426 7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.717 -3.194 10.110 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.139 -1.067 8.594 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.184 -2.862 10.025 1.00 0.00 H new ATOM 138 N VAL A 113 1.319 -2.448 5.635 1.00 0.00 N ATOM 139 CA VAL A 113 0.733 -3.796 5.668 1.00 0.00 C ATOM 140 C VAL A 113 1.665 -4.755 6.396 1.00 0.00 C ATOM 141 O VAL A 113 2.734 -5.072 5.877 1.00 0.00 O ATOM 142 CB VAL A 113 0.387 -4.312 4.256 1.00 0.00 C ATOM 143 CG1 VAL A 113 -0.349 -5.655 4.334 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.487 -3.319 3.484 1.00 0.00 C ATOM 0 H VAL A 113 2.302 -2.452 5.361 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.207 -3.739 6.217 1.00 0.00 H new ATOM 0 HB VAL A 113 1.332 -4.434 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.583 -6.000 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.285 -6.389 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.273 -5.531 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.708 -3.721 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.419 -3.157 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.043 -2.372 3.381 1.00 0.00 H new ATOM 154 N GLY A 114 1.272 -5.210 7.589 1.00 0.00 N ATOM 155 CA GLY A 114 2.052 -6.135 8.425 1.00 0.00 C ATOM 156 C GLY A 114 1.461 -7.546 8.508 1.00 0.00 C ATOM 157 O GLY A 114 0.251 -7.720 8.368 1.00 0.00 O ATOM 0 H GLY A 114 0.384 -4.941 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.066 -6.199 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.128 -5.724 9.432 1.00 0.00 H new ATOM 161 N GLY A 115 2.309 -8.548 8.760 1.00 0.00 N ATOM 162 CA GLY A 115 1.929 -9.960 8.927 1.00 0.00 C ATOM 163 C GLY A 115 2.072 -10.831 7.668 1.00 0.00 C ATOM 164 O GLY A 115 1.613 -11.974 7.655 1.00 0.00 O ATOM 0 H GLY A 115 3.313 -8.397 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.540 -10.392 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.893 -10.003 9.263 1.00 0.00 H new ATOM 168 N LEU A 116 2.695 -10.307 6.607 1.00 0.00 N ATOM 169 CA LEU A 116 2.989 -11.028 5.362 1.00 0.00 C ATOM 170 C LEU A 116 3.955 -12.197 5.619 1.00 0.00 C ATOM 171 O LEU A 116 4.921 -12.047 6.366 1.00 0.00 O ATOM 172 CB LEU A 116 3.641 -10.063 4.348 1.00 0.00 C ATOM 173 CG LEU A 116 2.753 -8.895 3.886 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.613 -7.772 3.306 1.00 0.00 C ATOM 175 CD2 LEU A 116 1.794 -9.340 2.785 1.00 0.00 C ATOM 0 H LEU A 116 3.019 -9.340 6.590 1.00 0.00 H new ATOM 0 HA LEU A 116 2.052 -11.420 4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.548 -9.654 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.945 -10.635 3.471 1.00 0.00 H new ATOM 0 HG LEU A 116 2.196 -8.551 4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.971 -6.952 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.305 -7.413 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.177 -8.149 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.178 -8.496 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.365 -9.704 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.154 -10.138 3.161 1.00 0.00 H new ATOM 187 N SER A 117 3.746 -13.337 4.952 1.00 0.00 N ATOM 188 CA SER A 117 4.738 -14.424 4.935 1.00 0.00 C ATOM 189 C SER A 117 6.002 -13.996 4.185 1.00 0.00 C ATOM 190 O SER A 117 5.912 -13.333 3.150 1.00 0.00 O ATOM 191 CB SER A 117 4.144 -15.699 4.321 1.00 0.00 C ATOM 192 OG SER A 117 5.158 -16.647 4.022 1.00 0.00 O ATOM 0 H SER A 117 2.900 -13.533 4.416 1.00 0.00 H new ATOM 0 HA SER A 117 5.014 -14.644 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.425 -16.138 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.598 -15.447 3.412 1.00 0.00 H new ATOM 0 HG SER A 117 4.751 -17.450 3.634 1.00 0.00 H new ATOM 198 N VAL A 118 7.183 -14.420 4.646 1.00 0.00 N ATOM 199 CA VAL A 118 8.472 -14.176 3.961 1.00 0.00 C ATOM 200 C VAL A 118 8.591 -14.793 2.557 1.00 0.00 C ATOM 201 O VAL A 118 9.526 -14.468 1.826 1.00 0.00 O ATOM 202 CB VAL A 118 9.686 -14.518 4.851 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.530 -14.001 6.287 1.00 0.00 C ATOM 204 CG2 VAL A 118 9.975 -16.024 4.913 1.00 0.00 C ATOM 0 H VAL A 118 7.280 -14.948 5.513 1.00 0.00 H new ATOM 0 HA VAL A 118 8.482 -13.100 3.788 1.00 0.00 H new ATOM 0 HB VAL A 118 10.524 -14.012 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.412 -14.270 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.421 -12.917 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.646 -14.449 6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.839 -16.203 5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 118 9.108 -16.544 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 118 10.184 -16.396 3.910 1.00 0.00 H new ATOM 214 N ASN A 119 7.658 -15.670 2.163 1.00 0.00 N ATOM 215 CA ASN A 119 7.511 -16.180 0.791 1.00 0.00 C ATOM 216 C ASN A 119 6.645 -15.286 -0.127 1.00 0.00 C ATOM 217 O ASN A 119 6.651 -15.471 -1.346 1.00 0.00 O ATOM 218 CB ASN A 119 6.962 -17.618 0.858 1.00 0.00 C ATOM 219 CG ASN A 119 7.953 -18.609 1.449 1.00 0.00 C ATOM 220 OD1 ASN A 119 9.140 -18.599 1.148 1.00 0.00 O ATOM 221 ND2 ASN A 119 7.503 -19.525 2.276 1.00 0.00 N ATOM 0 H ASN A 119 6.966 -16.055 2.806 1.00 0.00 H new ATOM 0 HA ASN A 119 8.498 -16.170 0.328 1.00 0.00 H new ATOM 0 HB2 ASN A 119 6.050 -17.625 1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 119 6.688 -17.943 -0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 119 8.141 -20.221 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 119 6.516 -19.540 2.532 1.00 0.00 H new ATOM 228 N THR A 120 5.903 -14.323 0.431 1.00 0.00 N ATOM 229 CA THR A 120 5.058 -13.374 -0.321 1.00 0.00 C ATOM 230 C THR A 120 5.895 -12.320 -1.037 1.00 0.00 C ATOM 231 O THR A 120 6.781 -11.717 -0.428 1.00 0.00 O ATOM 232 CB THR A 120 4.040 -12.689 0.607 1.00 0.00 C ATOM 233 OG1 THR A 120 3.253 -13.671 1.244 1.00 0.00 O ATOM 234 CG2 THR A 120 3.085 -11.736 -0.103 1.00 0.00 C ATOM 0 H THR A 120 5.869 -14.174 1.440 1.00 0.00 H new ATOM 0 HA THR A 120 4.520 -13.952 -1.073 1.00 0.00 H new ATOM 0 HB THR A 120 4.634 -12.102 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.621 -13.860 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.402 -11.297 0.624 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.655 -10.945 -0.589 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.514 -12.284 -0.852 1.00 0.00 H new ATOM 242 N THR A 121 5.605 -12.075 -2.316 1.00 0.00 N ATOM 243 CA THR A 121 6.255 -11.026 -3.124 1.00 0.00 C ATOM 244 C THR A 121 5.617 -9.642 -3.061 1.00 0.00 C ATOM 245 O THR A 121 4.448 -9.484 -2.710 1.00 0.00 O ATOM 246 CB THR A 121 6.555 -11.448 -4.574 1.00 0.00 C ATOM 247 OG1 THR A 121 5.487 -11.091 -5.422 1.00 0.00 O ATOM 248 CG2 THR A 121 6.826 -12.937 -4.750 1.00 0.00 C ATOM 0 H THR A 121 4.903 -12.604 -2.833 1.00 0.00 H new ATOM 0 HA THR A 121 7.213 -10.914 -2.615 1.00 0.00 H new ATOM 0 HB THR A 121 7.469 -10.917 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 121 5.693 -11.364 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.028 -13.148 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 121 7.690 -13.223 -4.150 1.00 0.00 H new ATOM 0 HG23 THR A 121 5.955 -13.506 -4.426 1.00 0.00 H new ATOM 256 N VAL A 122 6.375 -8.618 -3.458 1.00 0.00 N ATOM 257 CA VAL A 122 5.832 -7.265 -3.663 1.00 0.00 C ATOM 258 C VAL A 122 4.731 -7.206 -4.732 1.00 0.00 C ATOM 259 O VAL A 122 3.762 -6.457 -4.598 1.00 0.00 O ATOM 260 CB VAL A 122 6.977 -6.269 -3.925 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.580 -6.364 -5.333 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.497 -4.839 -3.698 1.00 0.00 C ATOM 0 H VAL A 122 7.374 -8.697 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 122 5.331 -6.969 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 122 7.762 -6.539 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.379 -5.630 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.983 -7.364 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.806 -6.165 -6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.317 -4.146 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.673 -4.620 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.158 -4.728 -2.668 1.00 0.00 H new ATOM 272 N GLU A 123 4.838 -8.043 -5.767 1.00 0.00 N ATOM 273 CA GLU A 123 3.833 -8.157 -6.828 1.00 0.00 C ATOM 274 C GLU A 123 2.575 -8.901 -6.354 1.00 0.00 C ATOM 275 O GLU A 123 1.475 -8.513 -6.743 1.00 0.00 O ATOM 276 CB GLU A 123 4.428 -8.841 -8.071 1.00 0.00 C ATOM 277 CG GLU A 123 5.589 -8.040 -8.683 1.00 0.00 C ATOM 278 CD GLU A 123 6.094 -8.602 -10.030 1.00 0.00 C ATOM 279 OE1 GLU A 123 5.665 -9.697 -10.473 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.950 -7.939 -10.668 1.00 0.00 O ATOM 0 H GLU A 123 5.634 -8.668 -5.894 1.00 0.00 H new ATOM 0 HA GLU A 123 3.531 -7.144 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.780 -9.837 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.646 -8.972 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.269 -7.008 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.417 -8.021 -7.975 1.00 0.00 H new ATOM 287 N ASP A 124 2.703 -9.898 -5.466 1.00 0.00 N ATOM 288 CA ASP A 124 1.551 -10.518 -4.789 1.00 0.00 C ATOM 289 C ASP A 124 0.698 -9.486 -4.036 1.00 0.00 C ATOM 290 O ASP A 124 -0.528 -9.468 -4.158 1.00 0.00 O ATOM 291 CB ASP A 124 1.976 -11.599 -3.779 1.00 0.00 C ATOM 292 CG ASP A 124 2.637 -12.867 -4.334 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.252 -13.584 -3.506 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.492 -13.186 -5.539 1.00 0.00 O ATOM 0 H ASP A 124 3.603 -10.297 -5.197 1.00 0.00 H new ATOM 0 HA ASP A 124 0.966 -10.972 -5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.666 -11.143 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 124 1.092 -11.899 -3.216 1.00 0.00 H new ATOM 299 N VAL A 125 1.361 -8.599 -3.283 1.00 0.00 N ATOM 300 CA VAL A 125 0.714 -7.542 -2.495 1.00 0.00 C ATOM 301 C VAL A 125 0.067 -6.503 -3.414 1.00 0.00 C ATOM 302 O VAL A 125 -1.111 -6.189 -3.234 1.00 0.00 O ATOM 303 CB VAL A 125 1.725 -6.911 -1.516 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.128 -5.747 -0.723 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.193 -7.962 -0.504 1.00 0.00 C ATOM 0 H VAL A 125 2.378 -8.596 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.086 -7.980 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 125 2.550 -6.538 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.883 -5.340 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.799 -4.969 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.277 -6.101 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.907 -7.511 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.335 -8.336 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.670 -8.788 -1.032 1.00 0.00 H new ATOM 315 N LYS A 126 0.785 -6.012 -4.437 1.00 0.00 N ATOM 316 CA LYS A 126 0.237 -5.043 -5.402 1.00 0.00 C ATOM 317 C LYS A 126 -0.981 -5.609 -6.147 1.00 0.00 C ATOM 318 O LYS A 126 -2.024 -4.958 -6.193 1.00 0.00 O ATOM 319 CB LYS A 126 1.350 -4.564 -6.354 1.00 0.00 C ATOM 320 CG LYS A 126 0.860 -3.436 -7.278 1.00 0.00 C ATOM 321 CD LYS A 126 2.012 -2.744 -8.024 1.00 0.00 C ATOM 322 CE LYS A 126 1.602 -1.372 -8.584 1.00 0.00 C ATOM 323 NZ LYS A 126 0.585 -1.453 -9.664 1.00 0.00 N ATOM 0 H LYS A 126 1.754 -6.273 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.129 -4.173 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.202 -4.213 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.700 -5.402 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.156 -3.844 -8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.318 -2.697 -6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.858 -2.620 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.348 -3.382 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.210 -0.759 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.488 -0.865 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.109 -0.533 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.050 -1.700 -10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.117 -2.182 -9.426 1.00 0.00 H new ATOM 337 N HIS A 127 -0.888 -6.840 -6.656 1.00 0.00 N ATOM 338 CA HIS A 127 -1.985 -7.535 -7.339 1.00 0.00 C ATOM 339 C HIS A 127 -3.194 -7.791 -6.426 1.00 0.00 C ATOM 340 O HIS A 127 -4.333 -7.619 -6.863 1.00 0.00 O ATOM 341 CB HIS A 127 -1.453 -8.850 -7.920 1.00 0.00 C ATOM 342 CG HIS A 127 -2.451 -9.550 -8.803 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.260 -10.631 -8.440 1.00 0.00 N ATOM 344 CD2 HIS A 127 -2.779 -9.155 -10.065 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.046 -10.873 -9.505 1.00 0.00 C ATOM 346 NE2 HIS A 127 -3.776 -10.004 -10.496 1.00 0.00 N ATOM 0 H HIS A 127 -0.032 -7.393 -6.605 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.347 -6.888 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.548 -8.648 -8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.171 -9.514 -7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.343 -8.337 -10.619 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -4.789 -11.655 -9.557 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -4.231 -9.978 -11.409 1.00 0.00 H new ATOM 354 N TYR A 128 -2.971 -8.140 -5.153 1.00 0.00 N ATOM 355 CA TYR A 128 -4.054 -8.315 -4.185 1.00 0.00 C ATOM 356 C TYR A 128 -4.832 -7.030 -3.872 1.00 0.00 C ATOM 357 O TYR A 128 -6.059 -7.000 -3.986 1.00 0.00 O ATOM 358 CB TYR A 128 -3.573 -9.038 -2.921 1.00 0.00 C ATOM 359 CG TYR A 128 -4.624 -9.121 -1.828 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.742 -8.113 -0.848 1.00 0.00 C ATOM 361 CD2 TYR A 128 -5.505 -10.220 -1.811 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.726 -8.216 0.155 1.00 0.00 C ATOM 363 CE2 TYR A 128 -6.491 -10.325 -0.812 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.594 -9.331 0.186 1.00 0.00 C ATOM 365 OH TYR A 128 -7.529 -9.450 1.170 1.00 0.00 O ATOM 0 H TYR A 128 -2.041 -8.307 -4.770 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.783 -8.962 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.258 -10.047 -3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.695 -8.523 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.078 -7.262 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.424 -10.986 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.817 -7.441 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -7.169 -11.166 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 128 -8.040 -10.276 1.038 1.00 0.00 H new ATOM 375 N PHE A 129 -4.128 -5.946 -3.531 1.00 0.00 N ATOM 376 CA PHE A 129 -4.756 -4.647 -3.267 1.00 0.00 C ATOM 377 C PHE A 129 -5.467 -3.969 -4.449 1.00 0.00 C ATOM 378 O PHE A 129 -6.402 -3.189 -4.262 1.00 0.00 O ATOM 379 CB PHE A 129 -3.835 -3.730 -2.450 1.00 0.00 C ATOM 380 CG PHE A 129 -3.733 -4.132 -0.986 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.814 -3.918 -0.106 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.574 -4.770 -0.506 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.739 -4.350 1.230 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.500 -5.204 0.829 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.583 -4.996 1.699 1.00 0.00 C ATOM 0 H PHE A 129 -3.113 -5.943 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.613 -4.879 -2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.839 -3.739 -2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.203 -2.706 -2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.704 -3.420 -0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.735 -4.927 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.572 -4.185 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.609 -5.698 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.527 -5.331 2.724 1.00 0.00 H new ATOM 395 N GLU A 130 -5.108 -4.355 -5.677 1.00 0.00 N ATOM 396 CA GLU A 130 -5.802 -3.971 -6.915 1.00 0.00 C ATOM 397 C GLU A 130 -7.236 -4.535 -7.072 1.00 0.00 C ATOM 398 O GLU A 130 -7.911 -4.241 -8.062 1.00 0.00 O ATOM 399 CB GLU A 130 -4.920 -4.277 -8.141 1.00 0.00 C ATOM 400 CG GLU A 130 -3.810 -3.227 -8.299 1.00 0.00 C ATOM 401 CD GLU A 130 -2.740 -3.584 -9.349 1.00 0.00 C ATOM 402 OE1 GLU A 130 -2.790 -4.667 -9.981 1.00 0.00 O ATOM 403 OE2 GLU A 130 -1.828 -2.747 -9.552 1.00 0.00 O ATOM 0 H GLU A 130 -4.304 -4.960 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.957 -2.894 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.476 -5.267 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.536 -4.298 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.264 -2.274 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.322 -3.084 -7.335 1.00 0.00 H new ATOM 410 N GLN A 131 -7.749 -5.313 -6.108 1.00 0.00 N ATOM 411 CA GLN A 131 -9.173 -5.685 -6.076 1.00 0.00 C ATOM 412 C GLN A 131 -10.071 -4.492 -5.673 1.00 0.00 C ATOM 413 O GLN A 131 -11.228 -4.424 -6.094 1.00 0.00 O ATOM 414 CB GLN A 131 -9.386 -6.892 -5.143 1.00 0.00 C ATOM 415 CG GLN A 131 -9.352 -6.556 -3.644 1.00 0.00 C ATOM 416 CD GLN A 131 -9.290 -7.809 -2.778 1.00 0.00 C ATOM 417 OE1 GLN A 131 -10.289 -8.341 -2.311 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.139 -8.435 -2.701 1.00 0.00 N ATOM 0 H GLN A 131 -7.200 -5.698 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.470 -5.972 -7.085 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.347 -7.351 -5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.618 -7.636 -5.353 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -8.487 -5.927 -3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -10.238 -5.978 -3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.298 -8.005 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.086 -9.352 -2.257 1.00 0.00 H new ATOM 427 N PHE A 132 -9.554 -3.555 -4.865 1.00 0.00 N ATOM 428 CA PHE A 132 -10.313 -2.418 -4.315 1.00 0.00 C ATOM 429 C PHE A 132 -10.309 -1.167 -5.215 1.00 0.00 C ATOM 430 O PHE A 132 -11.176 -0.301 -5.088 1.00 0.00 O ATOM 431 CB PHE A 132 -9.731 -2.072 -2.938 1.00 0.00 C ATOM 432 CG PHE A 132 -9.731 -3.234 -1.964 1.00 0.00 C ATOM 433 CD1 PHE A 132 -8.511 -3.803 -1.550 1.00 0.00 C ATOM 434 CD2 PHE A 132 -10.944 -3.772 -1.496 1.00 0.00 C ATOM 435 CE1 PHE A 132 -8.502 -4.901 -0.676 1.00 0.00 C ATOM 436 CE2 PHE A 132 -10.935 -4.878 -0.629 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.715 -5.444 -0.218 1.00 0.00 C ATOM 0 H PHE A 132 -8.578 -3.565 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.356 -2.727 -4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.708 -1.717 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.303 -1.250 -2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.578 -3.392 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.883 -3.335 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.564 -5.329 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -11.867 -5.294 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.710 -6.294 0.448 1.00 0.00 H new ATOM 447 N GLY A 133 -9.328 -1.070 -6.113 1.00 0.00 N ATOM 448 CA GLY A 133 -9.060 0.068 -6.998 1.00 0.00 C ATOM 449 C GLY A 133 -7.772 -0.164 -7.795 1.00 0.00 C ATOM 450 O GLY A 133 -7.327 -1.304 -7.926 1.00 0.00 O ATOM 0 H GLY A 133 -8.659 -1.827 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.897 0.210 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.971 0.981 -6.409 1.00 0.00 H new ATOM 454 N LYS A 134 -7.137 0.896 -8.302 1.00 0.00 N ATOM 455 CA LYS A 134 -5.793 0.831 -8.911 1.00 0.00 C ATOM 456 C LYS A 134 -4.717 1.257 -7.903 1.00 0.00 C ATOM 457 O LYS A 134 -4.961 2.094 -7.031 1.00 0.00 O ATOM 458 CB LYS A 134 -5.821 1.579 -10.260 1.00 0.00 C ATOM 459 CG LYS A 134 -4.476 1.751 -10.998 1.00 0.00 C ATOM 460 CD LYS A 134 -3.810 3.084 -10.638 1.00 0.00 C ATOM 461 CE LYS A 134 -2.651 3.467 -11.559 1.00 0.00 C ATOM 462 NZ LYS A 134 -2.223 4.857 -11.263 1.00 0.00 N ATOM 0 H LYS A 134 -7.539 1.834 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.505 -0.191 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.506 1.052 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.242 2.570 -10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.810 0.928 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -4.641 1.703 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -4.561 3.874 -10.668 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -3.444 3.031 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -1.817 2.780 -11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -2.958 3.384 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -1.709 5.244 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -3.059 5.444 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -1.600 4.859 -10.430 1.00 0.00 H new ATOM 476 N VAL A 135 -3.530 0.662 -8.012 1.00 0.00 N ATOM 477 CA VAL A 135 -2.380 0.878 -7.114 1.00 0.00 C ATOM 478 C VAL A 135 -1.218 1.475 -7.914 1.00 0.00 C ATOM 479 O VAL A 135 -0.843 0.963 -8.970 1.00 0.00 O ATOM 480 CB VAL A 135 -2.002 -0.442 -6.407 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.754 -0.332 -5.527 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.142 -0.932 -5.499 1.00 0.00 C ATOM 0 H VAL A 135 -3.328 -0.009 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.640 1.590 -6.330 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.805 -1.141 -7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.550 -1.297 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.098 -0.036 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.920 0.416 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.847 -1.863 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.352 -0.179 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.037 -1.102 -6.098 1.00 0.00 H new ATOM 492 N ASP A 136 -0.644 2.562 -7.403 1.00 0.00 N ATOM 493 CA ASP A 136 0.525 3.254 -7.955 1.00 0.00 C ATOM 494 C ASP A 136 1.850 2.495 -7.806 1.00 0.00 C ATOM 495 O ASP A 136 2.616 2.380 -8.765 1.00 0.00 O ATOM 496 CB ASP A 136 0.649 4.673 -7.358 1.00 0.00 C ATOM 497 CG ASP A 136 -0.376 5.695 -7.875 1.00 0.00 C ATOM 498 OD1 ASP A 136 -1.164 5.368 -8.793 1.00 0.00 O ATOM 499 OD2 ASP A 136 -0.368 6.850 -7.385 1.00 0.00 O ATOM 0 H ASP A 136 -0.995 3.007 -6.555 1.00 0.00 H new ATOM 0 HA ASP A 136 0.342 3.314 -9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 136 0.553 4.603 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 136 1.650 5.050 -7.566 1.00 0.00 H new ATOM 504 N ASP A 137 2.123 1.974 -6.606 1.00 0.00 N ATOM 505 CA ASP A 137 3.404 1.345 -6.251 1.00 0.00 C ATOM 506 C ASP A 137 3.242 0.483 -4.977 1.00 0.00 C ATOM 507 O ASP A 137 2.312 0.677 -4.189 1.00 0.00 O ATOM 508 CB ASP A 137 4.434 2.464 -5.983 1.00 0.00 C ATOM 509 CG ASP A 137 5.892 1.972 -5.940 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.754 2.717 -5.416 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.187 0.867 -6.453 1.00 0.00 O ATOM 0 H ASP A 137 1.450 1.976 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 137 3.737 0.703 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.340 3.224 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.195 2.945 -5.035 1.00 0.00 H new ATOM 516 N ALA A 138 4.180 -0.439 -4.755 1.00 0.00 N ATOM 517 CA ALA A 138 4.328 -1.225 -3.529 1.00 0.00 C ATOM 518 C ALA A 138 5.815 -1.523 -3.230 1.00 0.00 C ATOM 519 O ALA A 138 6.638 -1.577 -4.147 1.00 0.00 O ATOM 520 CB ALA A 138 3.499 -2.513 -3.650 1.00 0.00 C ATOM 0 H ALA A 138 4.887 -0.668 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 138 3.952 -0.648 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.606 -3.102 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.449 -2.258 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.852 -3.095 -4.501 1.00 0.00 H new ATOM 526 N MET A 139 6.164 -1.733 -1.954 1.00 0.00 N ATOM 527 CA MET A 139 7.530 -2.069 -1.507 1.00 0.00 C ATOM 528 C MET A 139 7.520 -2.877 -0.202 1.00 0.00 C ATOM 529 O MET A 139 6.841 -2.495 0.748 1.00 0.00 O ATOM 530 CB MET A 139 8.387 -0.791 -1.366 1.00 0.00 C ATOM 531 CG MET A 139 7.819 0.257 -0.398 1.00 0.00 C ATOM 532 SD MET A 139 8.825 1.758 -0.244 1.00 0.00 S ATOM 533 CE MET A 139 7.790 2.690 0.917 1.00 0.00 C ATOM 0 H MET A 139 5.495 -1.674 -1.186 1.00 0.00 H new ATOM 0 HA MET A 139 7.982 -2.701 -2.271 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.385 -1.074 -1.030 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.499 -0.335 -2.349 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.819 0.537 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.712 -0.197 0.587 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.126 3.726 0.953 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.752 2.656 0.587 1.00 0.00 H new ATOM 0 HE3 MET A 139 7.869 2.249 1.910 1.00 0.00 H new ATOM 543 N LEU A 140 8.276 -3.979 -0.128 1.00 0.00 N ATOM 544 CA LEU A 140 8.463 -4.762 1.108 1.00 0.00 C ATOM 545 C LEU A 140 9.846 -4.490 1.721 1.00 0.00 C ATOM 546 O LEU A 140 10.812 -4.250 0.994 1.00 0.00 O ATOM 547 CB LEU A 140 8.228 -6.268 0.873 1.00 0.00 C ATOM 548 CG LEU A 140 6.973 -6.648 0.063 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.792 -8.165 0.073 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.680 -6.037 0.601 1.00 0.00 C ATOM 0 H LEU A 140 8.781 -4.359 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 140 7.710 -4.436 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 140 9.101 -6.674 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.170 -6.760 1.844 1.00 0.00 H new ATOM 0 HG LEU A 140 7.144 -6.255 -0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.904 -8.429 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.666 -8.639 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.677 -8.511 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.842 -6.351 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.517 -6.374 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.757 -4.950 0.585 1.00 0.00 H new ATOM 562 N MET A 141 9.955 -4.524 3.052 1.00 0.00 N ATOM 563 CA MET A 141 11.192 -4.152 3.757 1.00 0.00 C ATOM 564 C MET A 141 12.172 -5.323 3.914 1.00 0.00 C ATOM 565 O MET A 141 12.184 -6.026 4.928 1.00 0.00 O ATOM 566 CB MET A 141 10.863 -3.426 5.072 1.00 0.00 C ATOM 567 CG MET A 141 10.252 -2.043 4.796 1.00 0.00 C ATOM 568 SD MET A 141 11.320 -0.903 3.859 1.00 0.00 S ATOM 569 CE MET A 141 10.173 -0.367 2.561 1.00 0.00 C ATOM 0 H MET A 141 9.195 -4.808 3.671 1.00 0.00 H new ATOM 0 HA MET A 141 11.735 -3.443 3.133 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.167 -4.025 5.659 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.769 -3.316 5.668 1.00 0.00 H new ATOM 0 HG2 MET A 141 9.320 -2.177 4.247 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.997 -1.578 5.748 1.00 0.00 H new ATOM 0 HE1 MET A 141 10.676 0.338 1.899 1.00 0.00 H new ATOM 0 HE2 MET A 141 9.844 -1.233 1.986 1.00 0.00 H new ATOM 0 HE3 MET A 141 9.308 0.116 3.016 1.00 0.00 H new ATOM 699 N HIS A 149 12.271 -10.266 3.494 1.00 0.00 N ATOM 700 CA HIS A 149 11.620 -9.139 4.178 1.00 0.00 C ATOM 701 C HIS A 149 11.174 -9.478 5.603 1.00 0.00 C ATOM 702 O HIS A 149 10.970 -10.644 5.951 1.00 0.00 O ATOM 703 CB HIS A 149 10.488 -8.561 3.317 1.00 0.00 C ATOM 704 CG HIS A 149 9.353 -9.513 3.055 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.291 -9.760 3.925 1.00 0.00 N ATOM 706 CD2 HIS A 149 9.123 -10.165 1.881 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.451 -10.570 3.260 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.932 -10.835 2.034 1.00 0.00 N ATOM 0 HA HIS A 149 12.369 -8.357 4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.093 -7.672 3.808 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.903 -8.240 2.362 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.752 -10.157 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.522 -10.953 3.655 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.489 -11.432 1.335 1.00 0.00 H new ATOM 716 N ARG A 150 11.007 -8.437 6.429 1.00 0.00 N ATOM 717 CA ARG A 150 10.539 -8.531 7.829 1.00 0.00 C ATOM 718 C ARG A 150 9.069 -8.953 8.010 1.00 0.00 C ATOM 719 O ARG A 150 8.567 -8.944 9.131 1.00 0.00 O ATOM 720 CB ARG A 150 10.844 -7.219 8.582 1.00 0.00 C ATOM 721 CG ARG A 150 12.317 -7.088 8.999 1.00 0.00 C ATOM 722 CD ARG A 150 12.584 -5.796 9.790 1.00 0.00 C ATOM 723 NE ARG A 150 11.853 -5.744 11.076 1.00 0.00 N ATOM 724 CZ ARG A 150 11.548 -4.661 11.768 1.00 0.00 C ATOM 725 NH1 ARG A 150 12.022 -3.485 11.457 1.00 0.00 N ATOM 726 NH2 ARG A 150 10.724 -4.784 12.764 1.00 0.00 N ATOM 0 H ARG A 150 11.197 -7.478 6.140 1.00 0.00 H new ATOM 0 HA ARG A 150 11.105 -9.353 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.576 -6.373 7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.215 -7.163 9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 150 12.599 -7.948 9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.947 -7.105 8.110 1.00 0.00 H new ATOM 0 HD2 ARG A 150 13.653 -5.709 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 150 12.299 -4.938 9.181 1.00 0.00 H new ATOM 0 HE ARG A 150 11.554 -6.637 11.468 1.00 0.00 H new ATOM 0 HH11 ARG A 150 12.648 -3.382 10.658 1.00 0.00 H new ATOM 0 HH12 ARG A 150 11.766 -2.669 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 150 10.333 -5.698 12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 150 10.468 -3.967 13.318 1.00 0.00 H new ATOM 740 N GLY A 151 8.354 -9.318 6.946 1.00 0.00 N ATOM 741 CA GLY A 151 6.923 -9.635 6.987 1.00 0.00 C ATOM 742 C GLY A 151 6.004 -8.408 6.953 1.00 0.00 C ATOM 743 O GLY A 151 4.827 -8.507 7.302 1.00 0.00 O ATOM 0 H GLY A 151 8.759 -9.404 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.681 -10.279 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 151 6.715 -10.205 7.892 1.00 0.00 H new ATOM 747 N PHE A 152 6.510 -7.249 6.518 1.00 0.00 N ATOM 748 CA PHE A 152 5.690 -6.058 6.287 1.00 0.00 C ATOM 749 C PHE A 152 6.172 -5.238 5.081 1.00 0.00 C ATOM 750 O PHE A 152 7.319 -5.359 4.631 1.00 0.00 O ATOM 751 CB PHE A 152 5.613 -5.183 7.549 1.00 0.00 C ATOM 752 CG PHE A 152 6.920 -4.571 8.003 1.00 0.00 C ATOM 753 CD1 PHE A 152 7.703 -5.209 8.979 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.327 -3.328 7.482 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.882 -4.600 9.436 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.510 -2.723 7.936 1.00 0.00 C ATOM 757 CZ PHE A 152 9.295 -3.363 8.910 1.00 0.00 C ATOM 0 H PHE A 152 7.500 -7.112 6.316 1.00 0.00 H new ATOM 0 HA PHE A 152 4.686 -6.411 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 152 4.900 -4.379 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.213 -5.787 8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 152 7.399 -6.166 9.377 1.00 0.00 H new ATOM 0 HD2 PHE A 152 6.727 -2.838 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 152 9.476 -5.085 10.197 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.816 -1.767 7.537 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.212 -2.907 9.253 1.00 0.00 H new ATOM 767 N GLY A 153 5.293 -4.375 4.570 1.00 0.00 N ATOM 768 CA GLY A 153 5.612 -3.434 3.503 1.00 0.00 C ATOM 769 C GLY A 153 4.617 -2.281 3.392 1.00 0.00 C ATOM 770 O GLY A 153 3.744 -2.103 4.242 1.00 0.00 O ATOM 0 H GLY A 153 4.327 -4.312 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.609 -3.028 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.643 -3.969 2.554 1.00 0.00 H new ATOM 774 N PHE A 154 4.760 -1.509 2.320 1.00 0.00 N ATOM 775 CA PHE A 154 3.929 -0.364 1.965 1.00 0.00 C ATOM 776 C PHE A 154 3.210 -0.499 0.621 1.00 0.00 C ATOM 777 O PHE A 154 3.734 -1.133 -0.300 1.00 0.00 O ATOM 778 CB PHE A 154 4.756 0.921 2.023 1.00 0.00 C ATOM 779 CG PHE A 154 5.222 1.301 3.411 1.00 0.00 C ATOM 780 CD1 PHE A 154 6.434 0.790 3.910 1.00 0.00 C ATOM 781 CD2 PHE A 154 4.445 2.164 4.204 1.00 0.00 C ATOM 782 CE1 PHE A 154 6.879 1.156 5.189 1.00 0.00 C ATOM 783 CE2 PHE A 154 4.898 2.543 5.477 1.00 0.00 C ATOM 784 CZ PHE A 154 6.117 2.043 5.968 1.00 0.00 C ATOM 0 H PHE A 154 5.500 -1.675 1.638 1.00 0.00 H new ATOM 0 HA PHE A 154 3.132 -0.323 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.628 0.807 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.163 1.739 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 154 7.023 0.115 3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 154 3.501 2.535 3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 154 7.806 0.757 5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 154 4.310 3.219 6.080 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.468 2.341 6.945 1.00 0.00 H new ATOM 794 N VAL A 155 2.042 0.135 0.492 1.00 0.00 N ATOM 795 CA VAL A 155 1.220 0.171 -0.731 1.00 0.00 C ATOM 796 C VAL A 155 0.634 1.564 -0.973 1.00 0.00 C ATOM 797 O VAL A 155 -0.002 2.114 -0.075 1.00 0.00 O ATOM 798 CB VAL A 155 0.107 -0.902 -0.722 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.518 -1.070 -2.109 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.580 -2.280 -0.242 1.00 0.00 C ATOM 0 H VAL A 155 1.623 0.658 1.261 1.00 0.00 H new ATOM 0 HA VAL A 155 1.887 -0.064 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.629 -0.529 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.297 -1.832 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.953 -0.123 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.250 -1.375 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.256 -2.979 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.372 -2.641 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.960 -2.200 0.776 1.00 0.00 H new ATOM 810 N THR A 156 0.829 2.129 -2.166 1.00 0.00 N ATOM 811 CA THR A 156 0.338 3.462 -2.570 1.00 0.00 C ATOM 812 C THR A 156 -0.775 3.434 -3.611 1.00 0.00 C ATOM 813 O THR A 156 -0.613 2.828 -4.664 1.00 0.00 O ATOM 814 CB THR A 156 1.462 4.435 -2.973 1.00 0.00 C ATOM 815 OG1 THR A 156 2.617 4.253 -2.178 1.00 0.00 O ATOM 816 CG2 THR A 156 1.031 5.898 -2.857 1.00 0.00 C ATOM 0 H THR A 156 1.350 1.661 -2.908 1.00 0.00 H new ATOM 0 HA THR A 156 -0.113 3.855 -1.659 1.00 0.00 H new ATOM 0 HB THR A 156 1.687 4.208 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.311 4.884 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 156 1.857 6.545 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.177 6.079 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 156 0.751 6.114 -1.826 1.00 0.00 H new ATOM 824 N PHE A 157 -1.906 4.082 -3.340 1.00 0.00 N ATOM 825 CA PHE A 157 -3.136 4.009 -4.123 1.00 0.00 C ATOM 826 C PHE A 157 -3.322 5.047 -5.235 1.00 0.00 C ATOM 827 O PHE A 157 -2.694 6.103 -5.219 1.00 0.00 O ATOM 828 CB PHE A 157 -4.333 3.911 -3.165 1.00 0.00 C ATOM 829 CG PHE A 157 -4.491 2.536 -2.540 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.594 2.094 -1.548 1.00 0.00 C ATOM 831 CD2 PHE A 157 -5.521 1.679 -2.973 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.718 0.803 -1.010 1.00 0.00 C ATOM 833 CE2 PHE A 157 -5.659 0.398 -2.411 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.756 -0.042 -1.431 1.00 0.00 C ATOM 0 H PHE A 157 -1.993 4.699 -2.533 1.00 0.00 H new ATOM 0 HA PHE A 157 -3.056 3.099 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -4.217 4.651 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -5.245 4.163 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.809 2.750 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -6.207 2.007 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -3.012 0.459 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -6.461 -0.249 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.860 -1.028 -1.002 1.00 0.00 H new ATOM 844 N GLU A 158 -4.230 4.778 -6.171 1.00 0.00 N ATOM 845 CA GLU A 158 -4.697 5.750 -7.179 1.00 0.00 C ATOM 846 C GLU A 158 -5.355 6.973 -6.523 1.00 0.00 C ATOM 847 O GLU A 158 -5.052 8.115 -6.876 1.00 0.00 O ATOM 848 CB GLU A 158 -5.706 5.058 -8.117 1.00 0.00 C ATOM 849 CG GLU A 158 -6.447 5.963 -9.121 1.00 0.00 C ATOM 850 CD GLU A 158 -5.570 6.693 -10.165 1.00 0.00 C ATOM 851 OE1 GLU A 158 -4.362 6.389 -10.311 1.00 0.00 O ATOM 852 OE2 GLU A 158 -6.113 7.563 -10.887 1.00 0.00 O ATOM 0 H GLU A 158 -4.675 3.864 -6.259 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.833 6.100 -7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -5.177 4.288 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -6.450 4.550 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -7.178 5.355 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -7.004 6.712 -8.559 1.00 0.00 H new ATOM 859 N SER A 159 -6.223 6.724 -5.537 1.00 0.00 N ATOM 860 CA SER A 159 -7.011 7.731 -4.820 1.00 0.00 C ATOM 861 C SER A 159 -7.026 7.467 -3.315 1.00 0.00 C ATOM 862 O SER A 159 -7.108 6.323 -2.861 1.00 0.00 O ATOM 863 CB SER A 159 -8.438 7.771 -5.375 1.00 0.00 C ATOM 864 OG SER A 159 -9.227 8.705 -4.655 1.00 0.00 O ATOM 0 H SER A 159 -6.403 5.777 -5.203 1.00 0.00 H new ATOM 0 HA SER A 159 -6.541 8.702 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.416 8.042 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.887 6.780 -5.310 1.00 0.00 H new ATOM 0 HG SER A 159 -10.135 8.719 -5.024 1.00 0.00 H new ATOM 870 N GLU A 160 -6.984 8.544 -2.532 1.00 0.00 N ATOM 871 CA GLU A 160 -7.070 8.511 -1.069 1.00 0.00 C ATOM 872 C GLU A 160 -8.433 7.977 -0.581 1.00 0.00 C ATOM 873 O GLU A 160 -8.520 7.382 0.493 1.00 0.00 O ATOM 874 CB GLU A 160 -6.780 9.932 -0.562 1.00 0.00 C ATOM 875 CG GLU A 160 -6.571 10.001 0.955 1.00 0.00 C ATOM 876 CD GLU A 160 -6.025 11.366 1.420 1.00 0.00 C ATOM 877 OE1 GLU A 160 -5.171 11.966 0.724 1.00 0.00 O ATOM 878 OE2 GLU A 160 -6.427 11.835 2.512 1.00 0.00 O ATOM 0 H GLU A 160 -6.887 9.488 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.335 7.816 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -5.891 10.315 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -7.608 10.585 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -7.518 9.803 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -5.879 9.215 1.258 1.00 0.00 H new ATOM 885 N ASP A 161 -9.486 8.093 -1.399 1.00 0.00 N ATOM 886 CA ASP A 161 -10.797 7.490 -1.124 1.00 0.00 C ATOM 887 C ASP A 161 -10.817 5.953 -1.054 1.00 0.00 C ATOM 888 O ASP A 161 -11.618 5.378 -0.313 1.00 0.00 O ATOM 889 CB ASP A 161 -11.863 8.018 -2.102 1.00 0.00 C ATOM 890 CG ASP A 161 -12.321 9.470 -1.861 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.090 9.990 -2.707 1.00 0.00 O ATOM 892 OD2 ASP A 161 -11.958 10.098 -0.837 1.00 0.00 O ATOM 0 H ASP A 161 -9.453 8.612 -2.277 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.041 7.810 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.470 7.943 -3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.735 7.366 -2.049 1.00 0.00 H new ATOM 897 N ILE A 162 -9.913 5.280 -1.780 1.00 0.00 N ATOM 898 CA ILE A 162 -9.743 3.821 -1.679 1.00 0.00 C ATOM 899 C ILE A 162 -9.064 3.450 -0.360 1.00 0.00 C ATOM 900 O ILE A 162 -9.509 2.521 0.308 1.00 0.00 O ATOM 901 CB ILE A 162 -8.954 3.234 -2.870 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.466 3.676 -4.250 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.960 1.697 -2.812 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.958 3.433 -4.515 1.00 0.00 C ATOM 0 H ILE A 162 -9.284 5.725 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.741 3.383 -1.706 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.944 3.629 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -9.263 4.740 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.890 3.155 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -8.400 1.299 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -8.497 1.366 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.987 1.335 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -11.211 3.782 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -11.173 2.367 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.551 3.977 -3.780 1.00 0.00 H new ATOM 916 N VAL A 163 -8.031 4.195 0.057 1.00 0.00 N ATOM 917 CA VAL A 163 -7.272 3.908 1.291 1.00 0.00 C ATOM 918 C VAL A 163 -8.212 3.860 2.494 1.00 0.00 C ATOM 919 O VAL A 163 -8.093 2.959 3.321 1.00 0.00 O ATOM 920 CB VAL A 163 -6.198 4.983 1.547 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.536 4.865 2.927 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.128 4.882 0.466 1.00 0.00 C ATOM 0 H VAL A 163 -7.695 5.014 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.786 2.941 1.158 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.700 5.950 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.790 5.652 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.294 4.967 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -5.053 3.892 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.363 5.639 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.672 3.892 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.582 5.042 -0.512 1.00 0.00 H new ATOM 932 N GLU A 164 -9.182 4.775 2.573 1.00 0.00 N ATOM 933 CA GLU A 164 -10.211 4.762 3.623 1.00 0.00 C ATOM 934 C GLU A 164 -11.007 3.444 3.647 1.00 0.00 C ATOM 935 O GLU A 164 -11.149 2.831 4.705 1.00 0.00 O ATOM 936 CB GLU A 164 -11.175 5.952 3.458 1.00 0.00 C ATOM 937 CG GLU A 164 -10.529 7.343 3.579 1.00 0.00 C ATOM 938 CD GLU A 164 -9.919 7.661 4.958 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.109 6.902 5.939 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.218 8.693 5.087 1.00 0.00 O ATOM 0 H GLU A 164 -9.278 5.546 1.913 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.688 4.850 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.656 5.876 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -11.961 5.868 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.748 7.431 2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.281 8.097 3.349 1.00 0.00 H new ATOM 947 N LYS A 165 -11.472 2.961 2.487 1.00 0.00 N ATOM 948 CA LYS A 165 -12.233 1.704 2.355 1.00 0.00 C ATOM 949 C LYS A 165 -11.396 0.478 2.740 1.00 0.00 C ATOM 950 O LYS A 165 -11.850 -0.372 3.506 1.00 0.00 O ATOM 951 CB LYS A 165 -12.760 1.604 0.912 1.00 0.00 C ATOM 952 CG LYS A 165 -13.791 0.478 0.734 1.00 0.00 C ATOM 953 CD LYS A 165 -14.315 0.444 -0.711 1.00 0.00 C ATOM 954 CE LYS A 165 -15.547 -0.460 -0.879 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.257 -1.893 -0.606 1.00 0.00 N ATOM 0 H LYS A 165 -11.329 3.438 1.597 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.072 1.718 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -13.213 2.554 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.923 1.435 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -13.337 -0.481 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.622 0.626 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -14.568 1.457 -1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.522 0.095 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -16.335 -0.120 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -15.929 -0.359 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -16.124 -2.453 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -14.525 -2.231 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -14.919 -1.999 0.372 1.00 0.00 H new ATOM 969 N VAL A 166 -10.159 0.409 2.248 1.00 0.00 N ATOM 970 CA VAL A 166 -9.189 -0.669 2.533 1.00 0.00 C ATOM 971 C VAL A 166 -8.799 -0.694 4.019 1.00 0.00 C ATOM 972 O VAL A 166 -8.740 -1.759 4.635 1.00 0.00 O ATOM 973 CB VAL A 166 -7.947 -0.511 1.633 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.910 -1.618 1.838 1.00 0.00 C ATOM 975 CG2 VAL A 166 -8.332 -0.545 0.148 1.00 0.00 C ATOM 0 H VAL A 166 -9.785 1.120 1.620 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.662 -1.625 2.309 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.518 0.450 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -6.061 -1.449 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.569 -1.610 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.360 -2.585 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -7.436 -0.431 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.810 -1.497 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -9.024 0.269 -0.067 1.00 0.00 H new ATOM 985 N CYS A 167 -8.591 0.476 4.622 1.00 0.00 N ATOM 986 CA CYS A 167 -8.262 0.618 6.042 1.00 0.00 C ATOM 987 C CYS A 167 -9.459 0.303 6.966 1.00 0.00 C ATOM 988 O CYS A 167 -9.269 -0.295 8.025 1.00 0.00 O ATOM 989 CB CYS A 167 -7.707 2.035 6.254 1.00 0.00 C ATOM 990 SG CYS A 167 -7.158 2.290 7.968 1.00 0.00 S ATOM 0 H CYS A 167 -8.647 1.368 4.130 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.506 -0.117 6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -6.871 2.204 5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.474 2.768 6.004 1.00 0.00 H new ATOM 0 HG CYS A 167 -7.727 1.413 8.741 1.00 0.00 H new ATOM 996 N GLU A 168 -10.697 0.611 6.560 1.00 0.00 N ATOM 997 CA GLU A 168 -11.917 0.212 7.286 1.00 0.00 C ATOM 998 C GLU A 168 -12.156 -1.313 7.316 1.00 0.00 C ATOM 999 O GLU A 168 -12.751 -1.818 8.272 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.146 0.942 6.713 1.00 0.00 C ATOM 1001 CG GLU A 168 -13.263 2.404 7.183 1.00 0.00 C ATOM 1002 CD GLU A 168 -13.687 2.584 8.659 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -13.682 3.743 9.142 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -14.041 1.598 9.351 1.00 0.00 O ATOM 0 H GLU A 168 -10.885 1.148 5.713 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.763 0.510 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.097 0.921 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -14.048 0.402 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -12.302 2.896 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -13.985 2.917 6.548 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.661 -2.067 6.323 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.631 -3.543 6.372 1.00 0.00 C ATOM 1013 C ILE A 169 -10.653 -4.022 7.461 1.00 0.00 C ATOM 1014 O ILE A 169 -10.943 -4.986 8.172 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.279 -4.132 4.985 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.395 -3.804 3.963 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.064 -5.653 5.041 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.964 -3.973 2.502 1.00 0.00 C ATOM 0 H ILE A 169 -11.271 -1.676 5.465 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.625 -3.906 6.634 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.343 -3.672 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.253 -4.448 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.727 -2.777 4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.819 -6.023 4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.245 -5.880 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.975 -6.136 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.798 -3.725 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.126 -3.308 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.661 -5.006 2.329 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.534 -3.299 7.625 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.465 -3.464 8.628 1.00 0.00 C ATOM 1032 C HIS A 170 -7.675 -4.773 8.497 1.00 0.00 C ATOM 1033 O HIS A 170 -6.472 -4.730 8.232 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.026 -3.216 10.045 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.020 -3.131 11.173 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.350 -3.172 12.533 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.668 -2.973 11.063 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.192 -3.047 13.204 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.167 -2.926 12.346 1.00 0.00 N ATOM 0 H HIS A 170 -9.335 -2.514 7.005 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.712 -2.702 8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.595 -2.287 10.027 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.729 -4.016 10.277 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.101 -2.899 10.147 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.100 -3.044 14.280 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.185 -2.818 12.600 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.341 -5.922 8.614 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.776 -7.254 8.402 1.00 0.00 C ATOM 1049 C PHE A 171 -8.064 -7.912 7.045 1.00 0.00 C ATOM 1050 O PHE A 171 -9.220 -8.089 6.655 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.979 -8.165 9.617 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.054 -7.841 10.777 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -5.753 -8.380 10.815 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.482 -6.985 11.810 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -4.897 -8.087 11.891 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.621 -6.682 12.880 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.329 -7.236 12.922 1.00 0.00 C ATOM 0 H PHE A 171 -9.328 -5.951 8.869 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.703 -7.083 8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.013 -8.084 9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.822 -9.201 9.315 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.412 -9.020 10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.474 -6.560 11.781 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -3.907 -8.516 11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -6.952 -6.024 13.670 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.669 -7.007 13.746 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.999 -8.283 6.337 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.970 -8.812 4.969 1.00 0.00 C ATOM 1069 C HIS A 172 -6.252 -10.178 4.943 1.00 0.00 C ATOM 1070 O HIS A 172 -5.734 -10.623 5.968 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.280 -7.761 4.078 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.044 -6.466 3.871 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.769 -6.128 2.723 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.110 -5.415 4.744 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.230 -4.882 2.927 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.840 -4.429 4.126 1.00 0.00 N ATOM 0 H HIS A 172 -6.061 -8.218 6.732 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.976 -8.990 4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.310 -7.523 4.514 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.089 -8.208 3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.672 -5.369 5.730 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.830 -4.324 2.223 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.049 -3.509 4.514 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.190 -10.867 3.799 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.515 -12.175 3.674 1.00 0.00 C ATOM 1086 C GLU A 173 -4.723 -12.313 2.365 1.00 0.00 C ATOM 1087 O GLU A 173 -5.265 -12.086 1.285 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.530 -13.319 3.873 1.00 0.00 C ATOM 1089 CG GLU A 173 -5.944 -14.731 3.674 1.00 0.00 C ATOM 1090 CD GLU A 173 -5.919 -15.216 2.206 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -4.871 -15.751 1.772 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -6.954 -15.118 1.502 1.00 0.00 O ATOM 0 H GLU A 173 -6.606 -10.537 2.928 1.00 0.00 H new ATOM 0 HA GLU A 173 -4.770 -12.242 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -6.945 -13.249 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.357 -13.180 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -4.927 -14.747 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.524 -15.438 4.267 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.450 -12.717 2.458 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.532 -12.908 1.321 1.00 0.00 C ATOM 1101 C ILE A 174 -1.720 -14.196 1.535 1.00 0.00 C ATOM 1102 O ILE A 174 -1.169 -14.409 2.616 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.618 -11.668 1.118 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.449 -10.367 0.980 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.705 -11.871 -0.110 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.647 -9.087 0.726 1.00 0.00 C ATOM 0 H ILE A 174 -3.013 -12.928 3.355 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.112 -13.014 0.404 1.00 0.00 H new ATOM 0 HB ILE A 174 -0.992 -11.562 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.159 -10.497 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.033 -10.233 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.070 -10.995 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.081 -12.752 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.318 -12.010 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.329 -8.240 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -0.956 -8.920 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.084 -9.188 -0.202 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.635 -15.055 0.511 1.00 0.00 N ATOM 1119 CA ASN A 175 -0.887 -16.326 0.528 1.00 0.00 C ATOM 1120 C ASN A 175 -1.200 -17.241 1.739 1.00 0.00 C ATOM 1121 O ASN A 175 -0.302 -17.838 2.339 1.00 0.00 O ATOM 1122 CB ASN A 175 0.618 -16.058 0.311 1.00 0.00 C ATOM 1123 CG ASN A 175 0.966 -15.534 -1.074 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.364 -15.876 -2.083 1.00 0.00 O ATOM 1125 ND2 ASN A 175 2.000 -14.735 -1.159 1.00 0.00 N ATOM 0 H ASN A 175 -2.098 -14.882 -0.381 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.242 -16.921 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.958 -15.338 1.055 1.00 0.00 H new ATOM 0 HB3 ASN A 175 1.169 -16.982 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.308 -14.394 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.498 -14.453 -0.314 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.481 -17.337 2.116 1.00 0.00 N ATOM 1133 CA ASN A 176 -2.988 -18.091 3.271 1.00 0.00 C ATOM 1134 C ASN A 176 -2.420 -17.611 4.628 1.00 0.00 C ATOM 1135 O ASN A 176 -2.228 -18.404 5.556 1.00 0.00 O ATOM 1136 CB ASN A 176 -2.875 -19.609 3.000 1.00 0.00 C ATOM 1137 CG ASN A 176 -3.704 -20.459 3.956 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -4.770 -20.076 4.422 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -3.277 -21.672 4.229 1.00 0.00 N ATOM 0 H ASN A 176 -3.227 -16.870 1.601 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.051 -17.876 3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -3.192 -19.812 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -1.829 -19.907 3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -3.832 -22.286 4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -2.390 -21.999 3.845 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.153 -16.301 4.749 1.00 0.00 N ATOM 1147 CA LYS A 177 -1.823 -15.595 6.000 1.00 0.00 C ATOM 1148 C LYS A 177 -2.607 -14.296 6.130 1.00 0.00 C ATOM 1149 O LYS A 177 -2.853 -13.596 5.149 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.314 -15.318 6.127 1.00 0.00 C ATOM 1151 CG LYS A 177 0.534 -16.578 6.279 1.00 0.00 C ATOM 1152 CD LYS A 177 0.325 -17.295 7.622 1.00 0.00 C ATOM 1153 CE LYS A 177 1.174 -18.566 7.702 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.683 -19.622 6.775 1.00 0.00 N ATOM 0 H LYS A 177 -2.161 -15.676 3.943 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.112 -16.258 6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 177 0.021 -14.770 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.144 -14.671 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 177 0.298 -17.266 5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 177 1.586 -16.313 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 177 0.588 -16.625 8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -0.728 -17.548 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 177 2.210 -18.326 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.163 -18.946 8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.532 -20.505 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 -0.214 -19.317 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 1.388 -19.783 6.027 1.00 0.00 H new ATOM 1168 N MET A 178 -2.997 -13.981 7.359 1.00 0.00 N ATOM 1169 CA MET A 178 -3.766 -12.783 7.685 1.00 0.00 C ATOM 1170 C MET A 178 -2.837 -11.581 7.889 1.00 0.00 C ATOM 1171 O MET A 178 -1.825 -11.682 8.586 1.00 0.00 O ATOM 1172 CB MET A 178 -4.692 -13.062 8.879 1.00 0.00 C ATOM 1173 CG MET A 178 -5.416 -11.802 9.369 1.00 0.00 C ATOM 1174 SD MET A 178 -7.102 -12.068 9.982 1.00 0.00 S ATOM 1175 CE MET A 178 -7.970 -12.211 8.392 1.00 0.00 C ATOM 0 H MET A 178 -2.785 -14.560 8.172 1.00 0.00 H new ATOM 0 HA MET A 178 -4.412 -12.518 6.848 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.429 -13.813 8.595 1.00 0.00 H new ATOM 0 HB3 MET A 178 -4.107 -13.482 9.697 1.00 0.00 H new ATOM 0 HG2 MET A 178 -4.825 -11.349 10.165 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.453 -11.083 8.551 1.00 0.00 H new ATOM 0 HE1 MET A 178 -9.032 -12.379 8.571 1.00 0.00 H new ATOM 0 HE2 MET A 178 -7.839 -11.291 7.822 1.00 0.00 H new ATOM 0 HE3 MET A 178 -7.560 -13.049 7.828 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.193 -10.449 7.280 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.416 -9.203 7.271 1.00 0.00 C ATOM 1187 C VAL A 179 -3.236 -7.994 7.697 1.00 0.00 C ATOM 1188 O VAL A 179 -4.461 -7.987 7.596 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.692 -8.957 5.932 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.909 -10.187 5.486 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.623 -8.531 4.791 1.00 0.00 C ATOM 0 H VAL A 179 -4.065 -10.369 6.758 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.641 -9.340 8.025 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.014 -8.128 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.411 -9.978 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.163 -10.437 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.592 -11.027 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -2.039 -8.377 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.366 -9.310 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.127 -7.603 5.060 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.552 -6.959 8.174 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.176 -5.771 8.764 1.00 0.00 C ATOM 1203 C GLU A 180 -2.843 -4.492 7.978 1.00 0.00 C ATOM 1204 O GLU A 180 -1.697 -4.042 7.994 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.735 -5.655 10.231 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.550 -4.587 10.974 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.974 -4.218 12.350 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -2.059 -4.899 12.865 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -3.385 -3.173 12.908 1.00 0.00 O ATOM 0 H GLU A 180 -1.533 -6.918 8.163 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.259 -5.884 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.856 -6.618 10.727 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.675 -5.404 10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.602 -3.689 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.571 -4.945 11.102 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.845 -3.892 7.324 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.746 -2.555 6.730 1.00 0.00 C ATOM 1218 C CYS A 181 -3.889 -1.454 7.795 1.00 0.00 C ATOM 1219 O CYS A 181 -4.846 -1.452 8.572 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.778 -2.390 5.599 1.00 0.00 C ATOM 1221 SG CYS A 181 -4.945 -0.653 5.101 1.00 0.00 S ATOM 0 H CYS A 181 -4.758 -4.327 7.191 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.752 -2.449 6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.477 -2.989 4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -5.745 -2.770 5.929 1.00 0.00 H new ATOM 0 HG CYS A 181 -5.336 0.055 6.119 1.00 0.00 H new ATOM 1227 N LYS A 182 -2.973 -0.484 7.785 1.00 0.00 N ATOM 1228 CA LYS A 182 -2.950 0.693 8.672 1.00 0.00 C ATOM 1229 C LYS A 182 -2.292 1.886 7.972 1.00 0.00 C ATOM 1230 O LYS A 182 -1.408 1.700 7.140 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.299 0.325 10.024 1.00 0.00 C ATOM 1232 CG LYS A 182 -0.931 -0.390 9.936 1.00 0.00 C ATOM 1233 CD LYS A 182 -0.779 -1.510 10.978 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.658 -0.974 12.408 1.00 0.00 C ATOM 1235 NZ LYS A 182 -0.814 -2.064 13.404 1.00 0.00 N ATOM 0 H LYS A 182 -2.190 -0.493 7.131 1.00 0.00 H new ATOM 0 HA LYS A 182 -3.969 1.008 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -2.175 1.238 10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -2.988 -0.314 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -0.808 -0.809 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -0.134 0.341 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.638 -2.178 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 182 0.104 -2.104 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.312 -0.494 12.539 1.00 0.00 H new ATOM 0 HE3 LYS A 182 -1.417 -0.210 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -0.513 -1.725 14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -1.811 -2.356 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.227 -2.876 13.125 1.00 0.00 H new ATOM 1249 N LYS A 183 -2.735 3.113 8.255 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.262 4.326 7.554 1.00 0.00 C ATOM 1251 C LYS A 183 -0.777 4.605 7.803 1.00 0.00 C ATOM 1252 O LYS A 183 -0.312 4.515 8.944 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.151 5.528 7.914 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.524 5.414 7.232 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.480 6.519 7.697 1.00 0.00 C ATOM 1256 CE LYS A 183 -6.853 6.307 7.050 1.00 0.00 C ATOM 1257 NZ LYS A 183 -7.834 7.327 7.493 1.00 0.00 N ATOM 0 H LYS A 183 -3.432 3.302 8.975 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.350 4.149 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.280 5.580 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.663 6.453 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.399 5.471 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -4.960 4.439 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.571 6.504 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.084 7.497 7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -6.753 6.345 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.224 5.313 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -8.780 7.074 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -7.848 7.367 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.563 8.257 7.115 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.036 4.936 6.742 1.00 0.00 N ATOM 1272 CA ALA A 184 1.408 5.148 6.814 1.00 0.00 C ATOM 1273 C ALA A 184 1.779 6.421 7.605 1.00 0.00 C ATOM 1274 O ALA A 184 1.363 7.528 7.254 1.00 0.00 O ATOM 1275 CB ALA A 184 2.001 5.161 5.402 1.00 0.00 C ATOM 0 H ALA A 184 -0.424 5.064 5.807 1.00 0.00 H new ATOM 0 HA ALA A 184 1.844 4.317 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 184 3.078 5.319 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.801 4.207 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.547 5.966 4.824 1.00 0.00 H new