USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 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 -133:sc= 0.609 USER MOD Set 1.2: A 175 ASN : amide:sc= 1.09 K(o=1.7,f=0.88) USER MOD Set 2.1: A 128 TYR OH : rot 21:sc= 0.132 USER MOD Set 2.2: A 172 HIS : no HD1:sc= 0.699 K(o=1.5,f=-2.9!) USER MOD Set 2.3: A 181 CYS SG : rot -157:sc= 0.657 USER MOD Set 3.1: A 127 HIS : no HD1:sc=-0.00836 X(o=-0.0084,f=-0.33) USER MOD Set 3.2: A 131 GLN : amide:sc= 0 K(o=-0.0084,f=-0.54) USER MOD Set 4.1: A 117 SER OG : rot 180:sc= 0.68 USER MOD Set 4.2: A 177 LYS NZ :NH3+ 171:sc= 0.766 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= 1 (180deg=0.912) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00558 USER MOD Single : A 126 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.16) USER MOD Single : A 134 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.729) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 156:sc= -0.0968 (180deg=-1.31) USER MOD Single : A 149 HIS : no HD1:sc= 0.67 K(o=0.67,f=-4.4!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 8.9e-05 USER MOD Single : A 165 LYS NZ :NH3+ -178:sc= 1.03 (180deg=1.02) USER MOD Single : A 167 CYS SG : rot 88:sc= 0.0763 USER MOD Single : A 170 HIS : no HD1:sc= 0.988 K(o=0.99,f=-3.2!) USER MOD Single : A 176 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.5) USER MOD Single : A 178 MET CE :methyl -164:sc= 0 (180deg=-0.411) USER MOD Single : A 182 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.13) USER MOD Single : A 183 LYS NZ :NH3+ -176:sc= 1.04 (180deg=0.751) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.815 9.105 0.524 1.00 0.00 N ATOM 56 CA LYS A 109 -2.609 7.961 0.036 1.00 0.00 C ATOM 57 C LYS A 109 -1.900 6.611 0.277 1.00 0.00 C ATOM 58 O LYS A 109 -1.799 5.793 -0.634 1.00 0.00 O ATOM 59 CB LYS A 109 -2.946 8.144 -1.459 1.00 0.00 C ATOM 60 CG LYS A 109 -3.707 9.432 -1.807 1.00 0.00 C ATOM 61 CD LYS A 109 -3.947 9.465 -3.322 1.00 0.00 C ATOM 62 CE LYS A 109 -4.574 10.785 -3.782 1.00 0.00 C ATOM 63 NZ LYS A 109 -4.456 10.934 -5.255 1.00 0.00 N ATOM 0 HA LYS A 109 -3.536 7.938 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.017 8.125 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.539 7.291 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.657 9.466 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.134 10.306 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.000 9.314 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.599 8.638 -3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.624 10.816 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.081 11.621 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.029 11.743 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.461 11.096 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.796 10.068 -5.720 1.00 0.00 H new ATOM 77 N LYS A 110 -1.358 6.388 1.475 1.00 0.00 N ATOM 78 CA LYS A 110 -0.434 5.279 1.784 1.00 0.00 C ATOM 79 C LYS A 110 -0.835 4.464 3.019 1.00 0.00 C ATOM 80 O LYS A 110 -1.205 5.030 4.050 1.00 0.00 O ATOM 81 CB LYS A 110 0.967 5.898 1.915 1.00 0.00 C ATOM 82 CG LYS A 110 2.124 4.895 2.028 1.00 0.00 C ATOM 83 CD LYS A 110 3.418 5.684 2.265 1.00 0.00 C ATOM 84 CE LYS A 110 4.636 4.766 2.385 1.00 0.00 C ATOM 85 NZ LYS A 110 5.828 5.542 2.808 1.00 0.00 N ATOM 0 H LYS A 110 -1.549 6.983 2.281 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.462 4.544 0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.146 6.536 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.980 6.542 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.946 4.200 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.202 4.300 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.571 6.384 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.320 6.277 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.434 3.975 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.830 4.282 1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.647 4.906 2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.029 6.281 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.645 5.984 3.731 1.00 0.00 H new ATOM 99 N ILE A 111 -0.692 3.138 2.936 1.00 0.00 N ATOM 100 CA ILE A 111 -0.891 2.197 4.052 1.00 0.00 C ATOM 101 C ILE A 111 0.368 1.379 4.346 1.00 0.00 C ATOM 102 O ILE A 111 1.166 1.056 3.464 1.00 0.00 O ATOM 103 CB ILE A 111 -2.088 1.231 3.830 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.771 0.126 2.796 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.365 2.006 3.487 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.941 -0.792 2.418 1.00 0.00 C ATOM 0 H ILE A 111 -0.427 2.672 2.068 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.119 2.826 4.913 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.266 0.713 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.399 0.601 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.962 -0.491 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.186 1.305 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.610 2.683 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.207 2.581 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.605 -1.528 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.304 -1.305 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.747 -0.196 1.989 1.00 0.00 H new ATOM 118 N PHE A 112 0.488 1.032 5.620 1.00 0.00 N ATOM 119 CA PHE A 112 1.358 0.022 6.194 1.00 0.00 C ATOM 120 C PHE A 112 0.637 -1.333 6.149 1.00 0.00 C ATOM 121 O PHE A 112 -0.559 -1.395 6.445 1.00 0.00 O ATOM 122 CB PHE A 112 1.672 0.425 7.642 1.00 0.00 C ATOM 123 CG PHE A 112 2.458 -0.602 8.431 1.00 0.00 C ATOM 124 CD1 PHE A 112 1.793 -1.617 9.145 1.00 0.00 C ATOM 125 CD2 PHE A 112 3.862 -0.543 8.460 1.00 0.00 C ATOM 126 CE1 PHE A 112 2.528 -2.553 9.895 1.00 0.00 C ATOM 127 CE2 PHE A 112 4.594 -1.472 9.214 1.00 0.00 C ATOM 128 CZ PHE A 112 3.931 -2.478 9.934 1.00 0.00 C ATOM 0 H PHE A 112 -0.071 1.492 6.339 1.00 0.00 H new ATOM 0 HA PHE A 112 2.290 -0.060 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.232 1.360 7.631 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.734 0.621 8.161 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.715 -1.677 9.117 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.380 0.221 7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.014 -3.330 10.441 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.672 -1.413 9.241 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.496 -3.191 10.515 1.00 0.00 H new ATOM 138 N VAL A 113 1.352 -2.409 5.821 1.00 0.00 N ATOM 139 CA VAL A 113 0.851 -3.792 5.816 1.00 0.00 C ATOM 140 C VAL A 113 1.779 -4.671 6.646 1.00 0.00 C ATOM 141 O VAL A 113 2.940 -4.830 6.275 1.00 0.00 O ATOM 142 CB VAL A 113 0.692 -4.338 4.381 1.00 0.00 C ATOM 143 CG1 VAL A 113 0.043 -5.728 4.389 1.00 0.00 C ATOM 144 CG2 VAL A 113 -0.145 -3.407 3.497 1.00 0.00 C ATOM 0 H VAL A 113 2.331 -2.344 5.541 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.143 -3.803 6.264 1.00 0.00 H new ATOM 0 HB VAL A 113 1.698 -4.402 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.057 -6.089 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.667 -6.418 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.943 -5.667 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.229 -3.833 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.140 -3.293 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.338 -2.432 3.436 1.00 0.00 H new ATOM 154 N GLY A 114 1.297 -5.224 7.764 1.00 0.00 N ATOM 155 CA GLY A 114 2.110 -5.974 8.735 1.00 0.00 C ATOM 156 C GLY A 114 1.609 -7.393 9.014 1.00 0.00 C ATOM 157 O GLY A 114 0.404 -7.653 8.997 1.00 0.00 O ATOM 0 H GLY A 114 0.313 -5.163 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.135 -6.029 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.137 -5.420 9.673 1.00 0.00 H new ATOM 161 N GLY A 115 2.542 -8.306 9.293 1.00 0.00 N ATOM 162 CA GLY A 115 2.282 -9.731 9.535 1.00 0.00 C ATOM 163 C GLY A 115 2.342 -10.613 8.280 1.00 0.00 C ATOM 164 O GLY A 115 1.795 -11.718 8.281 1.00 0.00 O ATOM 0 H GLY A 115 3.532 -8.068 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.008 -10.102 10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 115 1.297 -9.835 9.990 1.00 0.00 H new ATOM 168 N LEU A 116 2.968 -10.131 7.198 1.00 0.00 N ATOM 169 CA LEU A 116 3.055 -10.816 5.901 1.00 0.00 C ATOM 170 C LEU A 116 3.722 -12.195 6.016 1.00 0.00 C ATOM 171 O LEU A 116 4.681 -12.379 6.773 1.00 0.00 O ATOM 172 CB LEU A 116 3.837 -9.936 4.903 1.00 0.00 C ATOM 173 CG LEU A 116 3.031 -8.743 4.359 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.979 -7.683 3.807 1.00 0.00 C ATOM 175 CD2 LEU A 116 2.118 -9.163 3.203 1.00 0.00 C ATOM 0 H LEU A 116 3.442 -9.228 7.201 1.00 0.00 H new ATOM 0 HA LEU A 116 2.038 -10.976 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.737 -9.562 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.162 -10.554 4.066 1.00 0.00 H new ATOM 0 HG LEU A 116 2.435 -8.358 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.401 -6.842 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.640 -7.337 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.574 -8.112 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.564 -8.296 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.722 -9.570 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.418 -9.923 3.550 1.00 0.00 H new ATOM 187 N SER A 117 3.253 -13.158 5.218 1.00 0.00 N ATOM 188 CA SER A 117 3.935 -14.448 5.072 1.00 0.00 C ATOM 189 C SER A 117 5.309 -14.258 4.426 1.00 0.00 C ATOM 190 O SER A 117 5.459 -13.473 3.487 1.00 0.00 O ATOM 191 CB SER A 117 3.105 -15.429 4.240 1.00 0.00 C ATOM 192 OG SER A 117 3.654 -16.729 4.377 1.00 0.00 O ATOM 0 H SER A 117 2.402 -13.069 4.662 1.00 0.00 H new ATOM 0 HA SER A 117 4.061 -14.867 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.067 -15.421 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.105 -15.128 3.192 1.00 0.00 H new ATOM 0 HG SER A 117 3.127 -17.364 3.848 1.00 0.00 H new ATOM 198 N VAL A 118 6.309 -15.025 4.865 1.00 0.00 N ATOM 199 CA VAL A 118 7.629 -15.088 4.200 1.00 0.00 C ATOM 200 C VAL A 118 7.559 -15.708 2.793 1.00 0.00 C ATOM 201 O VAL A 118 8.490 -15.544 2.004 1.00 0.00 O ATOM 202 CB VAL A 118 8.673 -15.802 5.082 1.00 0.00 C ATOM 203 CG1 VAL A 118 8.800 -15.131 6.455 1.00 0.00 C ATOM 204 CG2 VAL A 118 8.348 -17.286 5.277 1.00 0.00 C ATOM 0 H VAL A 118 6.235 -15.622 5.689 1.00 0.00 H new ATOM 0 HA VAL A 118 7.956 -14.057 4.066 1.00 0.00 H new ATOM 0 HB VAL A 118 9.622 -15.722 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 118 9.544 -15.660 7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.109 -14.094 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 118 7.838 -15.162 6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 118 9.111 -17.746 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 118 7.375 -17.385 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 118 8.327 -17.784 4.308 1.00 0.00 H new ATOM 214 N ASN A 119 6.449 -16.378 2.451 1.00 0.00 N ATOM 215 CA ASN A 119 6.146 -16.832 1.089 1.00 0.00 C ATOM 216 C ASN A 119 5.756 -15.665 0.151 1.00 0.00 C ATOM 217 O ASN A 119 6.006 -15.724 -1.055 1.00 0.00 O ATOM 218 CB ASN A 119 5.019 -17.875 1.192 1.00 0.00 C ATOM 219 CG ASN A 119 4.600 -18.427 -0.161 1.00 0.00 C ATOM 220 OD1 ASN A 119 3.602 -18.023 -0.743 1.00 0.00 O ATOM 221 ND2 ASN A 119 5.317 -19.397 -0.684 1.00 0.00 N ATOM 0 H ASN A 119 5.725 -16.623 3.126 1.00 0.00 H new ATOM 0 HA ASN A 119 7.037 -17.274 0.643 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.348 -18.697 1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 119 4.155 -17.422 1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 119 5.041 -19.812 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 119 6.149 -19.734 -0.200 1.00 0.00 H new ATOM 228 N THR A 120 5.155 -14.604 0.700 1.00 0.00 N ATOM 229 CA THR A 120 4.666 -13.429 -0.035 1.00 0.00 C ATOM 230 C THR A 120 5.759 -12.528 -0.598 1.00 0.00 C ATOM 231 O THR A 120 6.720 -12.196 0.099 1.00 0.00 O ATOM 232 CB THR A 120 3.684 -12.611 0.822 1.00 0.00 C ATOM 233 OG1 THR A 120 2.726 -13.477 1.394 1.00 0.00 O ATOM 234 CG2 THR A 120 2.913 -11.543 0.056 1.00 0.00 C ATOM 0 H THR A 120 4.989 -14.536 1.704 1.00 0.00 H new ATOM 0 HA THR A 120 4.147 -13.837 -0.902 1.00 0.00 H new ATOM 0 HB THR A 120 4.303 -12.108 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.830 -13.100 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.246 -11.016 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.614 -10.834 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.327 -12.013 -0.734 1.00 0.00 H new ATOM 242 N THR A 121 5.568 -12.084 -1.843 1.00 0.00 N ATOM 243 CA THR A 121 6.367 -11.046 -2.512 1.00 0.00 C ATOM 244 C THR A 121 5.579 -9.789 -2.884 1.00 0.00 C ATOM 245 O THR A 121 4.347 -9.794 -2.896 1.00 0.00 O ATOM 246 CB THR A 121 7.209 -11.627 -3.660 1.00 0.00 C ATOM 247 OG1 THR A 121 8.276 -10.743 -3.933 1.00 0.00 O ATOM 248 CG2 THR A 121 6.428 -11.817 -4.962 1.00 0.00 C ATOM 0 H THR A 121 4.825 -12.450 -2.438 1.00 0.00 H new ATOM 0 HA THR A 121 7.077 -10.682 -1.769 1.00 0.00 H new ATOM 0 HB THR A 121 7.547 -12.609 -3.328 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.821 -11.104 -4.663 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.088 -12.230 -5.725 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.597 -12.502 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 121 6.042 -10.855 -5.298 1.00 0.00 H new ATOM 256 N VAL A 122 6.280 -8.694 -3.188 1.00 0.00 N ATOM 257 CA VAL A 122 5.696 -7.366 -3.451 1.00 0.00 C ATOM 258 C VAL A 122 4.615 -7.339 -4.539 1.00 0.00 C ATOM 259 O VAL A 122 3.621 -6.625 -4.413 1.00 0.00 O ATOM 260 CB VAL A 122 6.824 -6.350 -3.718 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.466 -6.481 -5.104 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.319 -4.918 -3.558 1.00 0.00 C ATOM 0 H VAL A 122 7.297 -8.701 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 122 5.154 -7.079 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 122 7.588 -6.579 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.250 -5.732 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.897 -7.476 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.708 -6.329 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.134 -4.221 -3.752 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.510 -4.736 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.952 -4.773 -2.542 1.00 0.00 H new ATOM 272 N GLU A 123 4.766 -8.159 -5.581 1.00 0.00 N ATOM 273 CA GLU A 123 3.797 -8.254 -6.678 1.00 0.00 C ATOM 274 C GLU A 123 2.476 -8.920 -6.250 1.00 0.00 C ATOM 275 O GLU A 123 1.418 -8.549 -6.761 1.00 0.00 O ATOM 276 CB GLU A 123 4.411 -9.033 -7.855 1.00 0.00 C ATOM 277 CG GLU A 123 5.677 -8.398 -8.460 1.00 0.00 C ATOM 278 CD GLU A 123 5.461 -7.029 -9.142 1.00 0.00 C ATOM 279 OE1 GLU A 123 4.303 -6.607 -9.376 1.00 0.00 O ATOM 280 OE2 GLU A 123 6.476 -6.368 -9.478 1.00 0.00 O ATOM 0 H GLU A 123 5.568 -8.780 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 123 3.562 -7.234 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.653 -10.041 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.660 -9.130 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.419 -8.280 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.097 -9.089 -9.191 1.00 0.00 H new ATOM 287 N ASP A 124 2.504 -9.850 -5.284 1.00 0.00 N ATOM 288 CA ASP A 124 1.291 -10.464 -4.717 1.00 0.00 C ATOM 289 C ASP A 124 0.479 -9.391 -3.976 1.00 0.00 C ATOM 290 O ASP A 124 -0.738 -9.293 -4.140 1.00 0.00 O ATOM 291 CB ASP A 124 1.636 -11.561 -3.691 1.00 0.00 C ATOM 292 CG ASP A 124 2.585 -12.676 -4.151 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.198 -13.304 -3.254 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.689 -12.958 -5.369 1.00 0.00 O ATOM 0 H ASP A 124 3.369 -10.199 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 124 0.730 -10.901 -5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.077 -11.080 -2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.705 -12.023 -3.364 1.00 0.00 H new ATOM 299 N VAL A 125 1.169 -8.564 -3.183 1.00 0.00 N ATOM 300 CA VAL A 125 0.586 -7.467 -2.401 1.00 0.00 C ATOM 301 C VAL A 125 0.009 -6.392 -3.327 1.00 0.00 C ATOM 302 O VAL A 125 -1.149 -6.004 -3.164 1.00 0.00 O ATOM 303 CB VAL A 125 1.634 -6.903 -1.417 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.090 -5.758 -0.563 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.120 -8.007 -0.468 1.00 0.00 C ATOM 0 H VAL A 125 2.179 -8.642 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.245 -7.847 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 125 2.450 -6.522 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.871 -5.402 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.769 -4.942 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.241 -6.112 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.858 -7.596 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.275 -8.398 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.573 -8.812 -1.047 1.00 0.00 H new ATOM 315 N LYS A 126 0.761 -5.971 -4.354 1.00 0.00 N ATOM 316 CA LYS A 126 0.293 -5.014 -5.371 1.00 0.00 C ATOM 317 C LYS A 126 -0.958 -5.520 -6.099 1.00 0.00 C ATOM 318 O LYS A 126 -1.967 -4.818 -6.128 1.00 0.00 O ATOM 319 CB LYS A 126 1.452 -4.690 -6.331 1.00 0.00 C ATOM 320 CG LYS A 126 1.079 -3.647 -7.395 1.00 0.00 C ATOM 321 CD LYS A 126 2.330 -3.198 -8.167 1.00 0.00 C ATOM 322 CE LYS A 126 2.052 -2.079 -9.182 1.00 0.00 C ATOM 323 NZ LYS A 126 1.168 -2.519 -10.292 1.00 0.00 N ATOM 0 H LYS A 126 1.719 -6.287 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.013 -4.090 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.302 -4.324 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.773 -5.607 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.349 -4.068 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.608 -2.786 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.083 -2.855 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.752 -4.056 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 126 1.591 -1.235 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.997 -1.725 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.399 -1.984 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.310 -3.534 -10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.175 -2.348 -10.034 1.00 0.00 H new ATOM 337 N HIS A 127 -0.933 -6.754 -6.616 1.00 0.00 N ATOM 338 CA HIS A 127 -2.081 -7.387 -7.277 1.00 0.00 C ATOM 339 C HIS A 127 -3.306 -7.492 -6.361 1.00 0.00 C ATOM 340 O HIS A 127 -4.414 -7.160 -6.783 1.00 0.00 O ATOM 341 CB HIS A 127 -1.655 -8.773 -7.775 1.00 0.00 C ATOM 342 CG HIS A 127 -2.688 -9.439 -8.647 1.00 0.00 C ATOM 343 ND1 HIS A 127 -3.857 -10.078 -8.217 1.00 0.00 N ATOM 344 CD2 HIS A 127 -2.560 -9.609 -9.991 1.00 0.00 C ATOM 345 CE1 HIS A 127 -4.420 -10.593 -9.326 1.00 0.00 C ATOM 346 NE2 HIS A 127 -3.663 -10.324 -10.405 1.00 0.00 N ATOM 0 H HIS A 127 -0.105 -7.349 -6.587 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.383 -6.759 -8.115 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -0.724 -8.680 -8.334 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.449 -9.412 -6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -1.752 -9.253 -10.612 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -5.348 -11.144 -9.347 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -3.870 -10.601 -11.364 1.00 0.00 H new ATOM 354 N TYR A 128 -3.117 -7.896 -5.101 1.00 0.00 N ATOM 355 CA TYR A 128 -4.205 -8.012 -4.132 1.00 0.00 C ATOM 356 C TYR A 128 -4.880 -6.683 -3.758 1.00 0.00 C ATOM 357 O TYR A 128 -6.110 -6.593 -3.727 1.00 0.00 O ATOM 358 CB TYR A 128 -3.756 -8.824 -2.911 1.00 0.00 C ATOM 359 CG TYR A 128 -4.778 -8.879 -1.792 1.00 0.00 C ATOM 360 CD1 TYR A 128 -4.747 -7.945 -0.738 1.00 0.00 C ATOM 361 CD2 TYR A 128 -5.775 -9.873 -1.823 1.00 0.00 C ATOM 362 CE1 TYR A 128 -5.695 -8.026 0.300 1.00 0.00 C ATOM 363 CE2 TYR A 128 -6.726 -9.954 -0.788 1.00 0.00 C ATOM 364 CZ TYR A 128 -6.677 -9.043 0.289 1.00 0.00 C ATOM 365 OH TYR A 128 -7.567 -9.153 1.315 1.00 0.00 O ATOM 0 H TYR A 128 -2.203 -8.151 -4.726 1.00 0.00 H new ATOM 0 HA TYR A 128 -5.001 -8.564 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -3.527 -9.841 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.832 -8.395 -2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -3.997 -7.168 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.810 -10.575 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.672 -7.309 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -7.493 -10.713 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 128 -7.630 -8.296 1.787 1.00 0.00 H new ATOM 375 N PHE A 129 -4.091 -5.624 -3.544 1.00 0.00 N ATOM 376 CA PHE A 129 -4.628 -4.289 -3.271 1.00 0.00 C ATOM 377 C PHE A 129 -5.294 -3.552 -4.442 1.00 0.00 C ATOM 378 O PHE A 129 -6.259 -2.815 -4.237 1.00 0.00 O ATOM 379 CB PHE A 129 -3.672 -3.449 -2.413 1.00 0.00 C ATOM 380 CG PHE A 129 -3.620 -3.936 -0.975 1.00 0.00 C ATOM 381 CD1 PHE A 129 -2.476 -4.603 -0.498 1.00 0.00 C ATOM 382 CD2 PHE A 129 -4.749 -3.821 -0.141 1.00 0.00 C ATOM 383 CE1 PHE A 129 -2.474 -5.189 0.779 1.00 0.00 C ATOM 384 CE2 PHE A 129 -4.752 -4.426 1.129 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.623 -5.126 1.578 1.00 0.00 C ATOM 0 H PHE A 129 -3.072 -5.668 -3.555 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.508 -4.472 -2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.672 -3.485 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -3.990 -2.406 -2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -1.594 -4.665 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -5.614 -3.268 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.588 -5.687 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.626 -4.351 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.639 -5.617 2.540 1.00 0.00 H new ATOM 395 N GLU A 130 -4.869 -3.841 -5.678 1.00 0.00 N ATOM 396 CA GLU A 130 -5.516 -3.361 -6.913 1.00 0.00 C ATOM 397 C GLU A 130 -6.984 -3.800 -7.073 1.00 0.00 C ATOM 398 O GLU A 130 -7.744 -3.151 -7.796 1.00 0.00 O ATOM 399 CB GLU A 130 -4.707 -3.796 -8.147 1.00 0.00 C ATOM 400 CG GLU A 130 -3.470 -2.915 -8.354 1.00 0.00 C ATOM 401 CD GLU A 130 -2.518 -3.413 -9.459 1.00 0.00 C ATOM 402 OE1 GLU A 130 -1.518 -2.705 -9.727 1.00 0.00 O ATOM 403 OE2 GLU A 130 -2.743 -4.484 -10.072 1.00 0.00 O ATOM 0 H GLU A 130 -4.052 -4.425 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.530 -2.274 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.398 -4.835 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.340 -3.748 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.795 -1.904 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.919 -2.855 -7.415 1.00 0.00 H new ATOM 410 N GLN A 131 -7.404 -4.874 -6.394 1.00 0.00 N ATOM 411 CA GLN A 131 -8.779 -5.397 -6.448 1.00 0.00 C ATOM 412 C GLN A 131 -9.785 -4.455 -5.771 1.00 0.00 C ATOM 413 O GLN A 131 -10.923 -4.320 -6.227 1.00 0.00 O ATOM 414 CB GLN A 131 -8.833 -6.795 -5.804 1.00 0.00 C ATOM 415 CG GLN A 131 -7.765 -7.711 -6.422 1.00 0.00 C ATOM 416 CD GLN A 131 -7.968 -9.210 -6.208 1.00 0.00 C ATOM 417 OE1 GLN A 131 -8.990 -9.691 -5.731 1.00 0.00 O ATOM 418 NE2 GLN A 131 -6.987 -10.017 -6.559 1.00 0.00 N ATOM 0 H GLN A 131 -6.792 -5.414 -5.782 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.065 -5.469 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -8.673 -6.714 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -9.822 -7.230 -5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.725 -7.519 -7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -6.794 -7.433 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -6.130 -9.634 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -7.085 -11.024 -6.432 1.00 0.00 H new ATOM 427 N PHE A 132 -9.353 -3.770 -4.709 1.00 0.00 N ATOM 428 CA PHE A 132 -10.123 -2.691 -4.068 1.00 0.00 C ATOM 429 C PHE A 132 -10.185 -1.405 -4.903 1.00 0.00 C ATOM 430 O PHE A 132 -11.227 -0.746 -4.953 1.00 0.00 O ATOM 431 CB PHE A 132 -9.561 -2.386 -2.674 1.00 0.00 C ATOM 432 CG PHE A 132 -9.606 -3.575 -1.741 1.00 0.00 C ATOM 433 CD1 PHE A 132 -8.406 -4.208 -1.376 1.00 0.00 C ATOM 434 CD2 PHE A 132 -10.835 -4.081 -1.276 1.00 0.00 C ATOM 435 CE1 PHE A 132 -8.427 -5.329 -0.535 1.00 0.00 C ATOM 436 CE2 PHE A 132 -10.855 -5.224 -0.457 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.651 -5.845 -0.079 1.00 0.00 C ATOM 0 H PHE A 132 -8.453 -3.947 -4.263 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.146 -3.057 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.530 -2.047 -2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.126 -1.565 -2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.464 -3.829 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.759 -3.593 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.500 -5.797 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -11.798 -5.626 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.668 -6.716 0.560 1.00 0.00 H new ATOM 447 N GLY A 133 -9.074 -1.067 -5.559 1.00 0.00 N ATOM 448 CA GLY A 133 -8.899 0.081 -6.452 1.00 0.00 C ATOM 449 C GLY A 133 -7.422 0.308 -6.792 1.00 0.00 C ATOM 450 O GLY A 133 -6.538 -0.255 -6.146 1.00 0.00 O ATOM 0 H GLY A 133 -8.221 -1.620 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.464 -0.081 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.307 0.975 -5.981 1.00 0.00 H new ATOM 454 N LYS A 134 -7.139 1.115 -7.822 1.00 0.00 N ATOM 455 CA LYS A 134 -5.799 1.257 -8.420 1.00 0.00 C ATOM 456 C LYS A 134 -4.713 1.663 -7.412 1.00 0.00 C ATOM 457 O LYS A 134 -4.867 2.593 -6.617 1.00 0.00 O ATOM 458 CB LYS A 134 -5.870 2.202 -9.634 1.00 0.00 C ATOM 459 CG LYS A 134 -4.537 2.417 -10.379 1.00 0.00 C ATOM 460 CD LYS A 134 -3.972 1.136 -11.021 1.00 0.00 C ATOM 461 CE LYS A 134 -2.831 1.409 -12.016 1.00 0.00 C ATOM 462 NZ LYS A 134 -1.688 2.138 -11.404 1.00 0.00 N ATOM 0 H LYS A 134 -7.844 1.698 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.486 0.271 -8.765 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.602 1.807 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.240 3.171 -9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.682 3.168 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.802 2.818 -9.681 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -3.609 0.473 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -4.776 0.610 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -2.475 0.462 -12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.218 1.989 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.817 1.920 -11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -1.868 3.162 -11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -1.579 1.843 -10.413 1.00 0.00 H new ATOM 476 N VAL A 135 -3.587 0.960 -7.510 1.00 0.00 N ATOM 477 CA VAL A 135 -2.376 1.119 -6.694 1.00 0.00 C ATOM 478 C VAL A 135 -1.332 1.864 -7.527 1.00 0.00 C ATOM 479 O VAL A 135 -1.116 1.551 -8.700 1.00 0.00 O ATOM 480 CB VAL A 135 -1.875 -0.271 -6.250 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.481 -0.276 -5.614 1.00 0.00 C ATOM 482 CG2 VAL A 135 -2.869 -0.877 -5.248 1.00 0.00 C ATOM 0 H VAL A 135 -3.485 0.218 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.579 1.698 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.802 -0.861 -7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.213 -1.295 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.247 0.107 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.484 0.356 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.516 -1.859 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -2.951 -0.226 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -3.846 -0.977 -5.720 1.00 0.00 H new ATOM 492 N ASP A 136 -0.692 2.860 -6.925 1.00 0.00 N ATOM 493 CA ASP A 136 0.422 3.616 -7.496 1.00 0.00 C ATOM 494 C ASP A 136 1.772 2.878 -7.408 1.00 0.00 C ATOM 495 O ASP A 136 2.509 2.796 -8.392 1.00 0.00 O ATOM 496 CB ASP A 136 0.471 5.005 -6.836 1.00 0.00 C ATOM 497 CG ASP A 136 1.717 5.823 -7.218 1.00 0.00 C ATOM 498 OD1 ASP A 136 2.399 6.344 -6.305 1.00 0.00 O ATOM 499 OD2 ASP A 136 1.988 5.988 -8.432 1.00 0.00 O ATOM 0 H ASP A 136 -0.943 3.177 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 136 0.244 3.730 -8.565 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -0.421 5.564 -7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 136 0.443 4.885 -5.753 1.00 0.00 H new ATOM 504 N ASP A 137 2.079 2.299 -6.240 1.00 0.00 N ATOM 505 CA ASP A 137 3.337 1.584 -5.971 1.00 0.00 C ATOM 506 C ASP A 137 3.186 0.672 -4.730 1.00 0.00 C ATOM 507 O ASP A 137 2.334 0.909 -3.869 1.00 0.00 O ATOM 508 CB ASP A 137 4.445 2.624 -5.708 1.00 0.00 C ATOM 509 CG ASP A 137 5.869 2.043 -5.751 1.00 0.00 C ATOM 510 OD1 ASP A 137 6.799 2.712 -5.241 1.00 0.00 O ATOM 511 OD2 ASP A 137 6.073 0.943 -6.317 1.00 0.00 O ATOM 0 H ASP A 137 1.448 2.314 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 137 3.591 0.963 -6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 137 4.366 3.420 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 137 4.278 3.079 -4.732 1.00 0.00 H new ATOM 516 N ALA A 138 4.049 -0.340 -4.610 1.00 0.00 N ATOM 517 CA ALA A 138 4.174 -1.230 -3.451 1.00 0.00 C ATOM 518 C ALA A 138 5.652 -1.567 -3.158 1.00 0.00 C ATOM 519 O ALA A 138 6.468 -1.644 -4.080 1.00 0.00 O ATOM 520 CB ALA A 138 3.348 -2.501 -3.698 1.00 0.00 C ATOM 0 H ALA A 138 4.710 -0.573 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 138 3.787 -0.721 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.438 -3.166 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.301 -2.233 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.718 -3.008 -4.589 1.00 0.00 H new ATOM 526 N MET A 139 6.002 -1.794 -1.884 1.00 0.00 N ATOM 527 CA MET A 139 7.367 -2.150 -1.450 1.00 0.00 C ATOM 528 C MET A 139 7.379 -2.927 -0.125 1.00 0.00 C ATOM 529 O MET A 139 6.763 -2.495 0.848 1.00 0.00 O ATOM 530 CB MET A 139 8.251 -0.888 -1.371 1.00 0.00 C ATOM 531 CG MET A 139 7.704 0.226 -0.468 1.00 0.00 C ATOM 532 SD MET A 139 8.759 1.698 -0.420 1.00 0.00 S ATOM 533 CE MET A 139 7.936 2.621 0.904 1.00 0.00 C ATOM 0 H MET A 139 5.338 -1.735 -1.112 1.00 0.00 H new ATOM 0 HA MET A 139 7.784 -2.821 -2.201 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.239 -1.176 -1.011 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.382 -0.490 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.711 0.511 -0.816 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.588 -0.161 0.544 1.00 0.00 H new ATOM 0 HE1 MET A 139 8.458 3.564 1.069 1.00 0.00 H new ATOM 0 HE2 MET A 139 6.903 2.823 0.619 1.00 0.00 H new ATOM 0 HE3 MET A 139 7.951 2.033 1.821 1.00 0.00 H new ATOM 543 N LEU A 140 8.095 -4.057 -0.058 1.00 0.00 N ATOM 544 CA LEU A 140 8.318 -4.819 1.185 1.00 0.00 C ATOM 545 C LEU A 140 9.720 -4.542 1.740 1.00 0.00 C ATOM 546 O LEU A 140 10.676 -4.401 0.974 1.00 0.00 O ATOM 547 CB LEU A 140 8.056 -6.326 0.986 1.00 0.00 C ATOM 548 CG LEU A 140 6.731 -6.683 0.284 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.518 -8.197 0.317 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.519 -6.017 0.931 1.00 0.00 C ATOM 0 H LEU A 140 8.542 -4.476 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 140 7.596 -4.479 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 140 8.878 -6.746 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.072 -6.812 1.962 1.00 0.00 H new ATOM 0 HG LEU A 140 6.814 -6.317 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.580 -8.443 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.342 -8.692 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.480 -8.537 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.615 -6.305 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.441 -6.336 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.635 -4.934 0.891 1.00 0.00 H new ATOM 562 N MET A 141 9.855 -4.433 3.064 1.00 0.00 N ATOM 563 CA MET A 141 11.099 -3.972 3.697 1.00 0.00 C ATOM 564 C MET A 141 12.113 -5.112 3.879 1.00 0.00 C ATOM 565 O MET A 141 12.155 -5.770 4.920 1.00 0.00 O ATOM 566 CB MET A 141 10.785 -3.232 5.005 1.00 0.00 C ATOM 567 CG MET A 141 9.955 -1.955 4.794 1.00 0.00 C ATOM 568 SD MET A 141 10.642 -0.655 3.724 1.00 0.00 S ATOM 569 CE MET A 141 9.902 -1.037 2.118 1.00 0.00 C ATOM 0 H MET A 141 9.112 -4.659 3.726 1.00 0.00 H new ATOM 0 HA MET A 141 11.584 -3.261 3.028 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.245 -3.902 5.674 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.720 -2.972 5.501 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.989 -2.249 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.765 -1.515 5.773 1.00 0.00 H new ATOM 0 HE1 MET A 141 9.877 -0.136 1.505 1.00 0.00 H new ATOM 0 HE2 MET A 141 10.496 -1.801 1.616 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.886 -1.405 2.264 1.00 0.00 H new ATOM 699 N HIS A 149 12.105 -10.065 3.614 1.00 0.00 N ATOM 700 CA HIS A 149 11.440 -8.914 4.237 1.00 0.00 C ATOM 701 C HIS A 149 11.156 -9.148 5.725 1.00 0.00 C ATOM 702 O HIS A 149 10.997 -10.284 6.181 1.00 0.00 O ATOM 703 CB HIS A 149 10.193 -8.492 3.446 1.00 0.00 C ATOM 704 CG HIS A 149 9.116 -9.542 3.366 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.208 -9.854 4.382 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.785 -10.241 2.244 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.368 -10.758 3.850 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.694 -11.012 2.571 1.00 0.00 N ATOM 0 HA HIS A 149 12.132 -8.073 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 149 9.775 -7.595 3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 149 10.495 -8.222 2.434 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.282 -10.198 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.545 -11.217 4.377 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.215 -11.664 1.950 1.00 0.00 H new ATOM 716 N ARG A 150 11.080 -8.056 6.492 1.00 0.00 N ATOM 717 CA ARG A 150 10.846 -8.047 7.949 1.00 0.00 C ATOM 718 C ARG A 150 9.423 -8.441 8.397 1.00 0.00 C ATOM 719 O ARG A 150 9.057 -8.216 9.550 1.00 0.00 O ATOM 720 CB ARG A 150 11.263 -6.674 8.511 1.00 0.00 C ATOM 721 CG ARG A 150 12.768 -6.384 8.405 1.00 0.00 C ATOM 722 CD ARG A 150 13.278 -5.478 9.540 1.00 0.00 C ATOM 723 NE ARG A 150 12.841 -4.074 9.458 1.00 0.00 N ATOM 724 CZ ARG A 150 13.391 -3.117 8.734 1.00 0.00 C ATOM 725 NH1 ARG A 150 14.308 -3.301 7.834 1.00 0.00 N ATOM 726 NH2 ARG A 150 13.038 -1.886 8.906 1.00 0.00 N ATOM 0 H ARG A 150 11.183 -7.117 6.106 1.00 0.00 H new ATOM 0 HA ARG A 150 11.467 -8.839 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.715 -5.895 7.981 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.966 -6.616 9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 150 13.318 -7.325 8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 150 12.976 -5.910 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 150 12.946 -5.892 10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 150 14.368 -5.504 9.544 1.00 0.00 H new ATOM 0 HE ARG A 150 12.029 -3.814 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 150 14.655 -4.241 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 150 14.682 -2.505 7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 150 12.332 -1.651 9.603 1.00 0.00 H new ATOM 0 HH22 ARG A 150 13.466 -1.150 8.344 1.00 0.00 H new ATOM 740 N GLY A 151 8.610 -9.006 7.501 1.00 0.00 N ATOM 741 CA GLY A 151 7.203 -9.329 7.755 1.00 0.00 C ATOM 742 C GLY A 151 6.247 -8.145 7.571 1.00 0.00 C ATOM 743 O GLY A 151 5.086 -8.231 7.974 1.00 0.00 O ATOM 0 H GLY A 151 8.917 -9.257 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.900 -10.135 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.106 -9.706 8.773 1.00 0.00 H new ATOM 747 N PHE A 152 6.700 -7.036 6.973 1.00 0.00 N ATOM 748 CA PHE A 152 5.856 -5.864 6.719 1.00 0.00 C ATOM 749 C PHE A 152 6.331 -5.108 5.461 1.00 0.00 C ATOM 750 O PHE A 152 7.450 -5.289 4.965 1.00 0.00 O ATOM 751 CB PHE A 152 5.874 -4.936 7.946 1.00 0.00 C ATOM 752 CG PHE A 152 7.154 -4.149 8.160 1.00 0.00 C ATOM 753 CD1 PHE A 152 8.228 -4.698 8.887 1.00 0.00 C ATOM 754 CD2 PHE A 152 7.260 -2.847 7.636 1.00 0.00 C ATOM 755 CE1 PHE A 152 9.405 -3.951 9.075 1.00 0.00 C ATOM 756 CE2 PHE A 152 8.429 -2.099 7.836 1.00 0.00 C ATOM 757 CZ PHE A 152 9.512 -2.663 8.530 1.00 0.00 C ATOM 0 H PHE A 152 7.662 -6.927 6.652 1.00 0.00 H new ATOM 0 HA PHE A 152 4.834 -6.200 6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 152 5.047 -4.231 7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.686 -5.537 8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 152 8.148 -5.693 9.300 1.00 0.00 H new ATOM 0 HD2 PHE A 152 6.438 -2.423 7.078 1.00 0.00 H new ATOM 0 HE1 PHE A 152 10.226 -4.369 9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 152 8.497 -1.090 7.457 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.429 -2.104 8.644 1.00 0.00 H new ATOM 767 N GLY A 153 5.460 -4.234 4.957 1.00 0.00 N ATOM 768 CA GLY A 153 5.719 -3.351 3.822 1.00 0.00 C ATOM 769 C GLY A 153 4.692 -2.224 3.681 1.00 0.00 C ATOM 770 O GLY A 153 3.880 -1.983 4.575 1.00 0.00 O ATOM 0 H GLY A 153 4.522 -4.118 5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.713 -2.916 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.727 -3.942 2.906 1.00 0.00 H new ATOM 774 N PHE A 154 4.736 -1.545 2.537 1.00 0.00 N ATOM 775 CA PHE A 154 3.920 -0.383 2.189 1.00 0.00 C ATOM 776 C PHE A 154 3.197 -0.475 0.842 1.00 0.00 C ATOM 777 O PHE A 154 3.721 -1.066 -0.105 1.00 0.00 O ATOM 778 CB PHE A 154 4.770 0.891 2.267 1.00 0.00 C ATOM 779 CG PHE A 154 5.224 1.210 3.672 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.361 1.879 4.556 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.483 0.766 4.115 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.759 2.105 5.882 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.873 0.978 5.446 1.00 0.00 C ATOM 784 CZ PHE A 154 6.011 1.649 6.331 1.00 0.00 C ATOM 0 H PHE A 154 5.377 -1.804 1.787 1.00 0.00 H new ATOM 0 HA PHE A 154 3.119 -0.353 2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.644 0.779 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.194 1.730 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.394 2.218 4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 154 7.149 0.262 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 154 4.102 2.630 6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.834 0.626 5.790 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.310 1.814 7.355 1.00 0.00 H new ATOM 794 N VAL A 155 2.028 0.165 0.745 1.00 0.00 N ATOM 795 CA VAL A 155 1.245 0.321 -0.496 1.00 0.00 C ATOM 796 C VAL A 155 0.709 1.745 -0.647 1.00 0.00 C ATOM 797 O VAL A 155 0.106 2.280 0.285 1.00 0.00 O ATOM 798 CB VAL A 155 0.116 -0.726 -0.634 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.450 -0.756 -2.057 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.556 -2.150 -0.271 1.00 0.00 C ATOM 0 H VAL A 155 1.582 0.604 1.550 1.00 0.00 H new ATOM 0 HA VAL A 155 1.937 0.134 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.647 -0.407 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.241 -1.503 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.856 0.224 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.344 -1.010 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.286 -2.832 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.369 -2.458 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.897 -2.173 0.764 1.00 0.00 H new ATOM 810 N THR A 156 0.920 2.352 -1.816 1.00 0.00 N ATOM 811 CA THR A 156 0.419 3.685 -2.206 1.00 0.00 C ATOM 812 C THR A 156 -0.699 3.635 -3.243 1.00 0.00 C ATOM 813 O THR A 156 -0.643 2.814 -4.155 1.00 0.00 O ATOM 814 CB THR A 156 1.539 4.673 -2.589 1.00 0.00 C ATOM 815 OG1 THR A 156 2.706 4.460 -1.820 1.00 0.00 O ATOM 816 CG2 THR A 156 1.135 6.136 -2.397 1.00 0.00 C ATOM 0 H THR A 156 1.469 1.914 -2.555 1.00 0.00 H new ATOM 0 HA THR A 156 -0.035 4.087 -1.300 1.00 0.00 H new ATOM 0 HB THR A 156 1.729 4.483 -3.645 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.397 5.101 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 156 1.964 6.783 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.269 6.359 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 156 0.884 6.310 -1.351 1.00 0.00 H new ATOM 824 N PHE A 157 -1.714 4.491 -3.132 1.00 0.00 N ATOM 825 CA PHE A 157 -2.961 4.436 -3.893 1.00 0.00 C ATOM 826 C PHE A 157 -3.200 5.585 -4.877 1.00 0.00 C ATOM 827 O PHE A 157 -2.713 6.698 -4.681 1.00 0.00 O ATOM 828 CB PHE A 157 -4.138 4.219 -2.933 1.00 0.00 C ATOM 829 CG PHE A 157 -4.168 2.838 -2.302 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.318 2.542 -1.220 1.00 0.00 C ATOM 831 CD2 PHE A 157 -5.038 1.848 -2.790 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.330 1.264 -0.640 1.00 0.00 C ATOM 833 CE2 PHE A 157 -5.066 0.575 -2.192 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.208 0.280 -1.120 1.00 0.00 C ATOM 0 H PHE A 157 -1.688 5.276 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.868 3.579 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -4.093 4.968 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -5.070 4.381 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.654 3.301 -0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -5.686 2.065 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -2.662 1.037 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -5.749 -0.177 -2.558 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.224 -0.700 -0.667 1.00 0.00 H new ATOM 844 N GLU A 158 -3.982 5.327 -5.925 1.00 0.00 N ATOM 845 CA GLU A 158 -4.390 6.346 -6.905 1.00 0.00 C ATOM 846 C GLU A 158 -5.410 7.345 -6.321 1.00 0.00 C ATOM 847 O GLU A 158 -5.335 8.543 -6.610 1.00 0.00 O ATOM 848 CB GLU A 158 -4.910 5.630 -8.163 1.00 0.00 C ATOM 849 CG GLU A 158 -5.249 6.564 -9.340 1.00 0.00 C ATOM 850 CD GLU A 158 -6.674 7.164 -9.335 1.00 0.00 C ATOM 851 OE1 GLU A 158 -6.918 8.114 -10.118 1.00 0.00 O ATOM 852 OE2 GLU A 158 -7.566 6.681 -8.597 1.00 0.00 O ATOM 0 H GLU A 158 -4.356 4.399 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.528 6.955 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.160 4.911 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.802 5.062 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -4.530 7.383 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -5.111 6.011 -10.269 1.00 0.00 H new ATOM 859 N SER A 159 -6.303 6.882 -5.437 1.00 0.00 N ATOM 860 CA SER A 159 -7.302 7.704 -4.739 1.00 0.00 C ATOM 861 C SER A 159 -7.345 7.409 -3.238 1.00 0.00 C ATOM 862 O SER A 159 -7.259 6.257 -2.805 1.00 0.00 O ATOM 863 CB SER A 159 -8.684 7.527 -5.376 1.00 0.00 C ATOM 864 OG SER A 159 -9.664 8.251 -4.646 1.00 0.00 O ATOM 0 H SER A 159 -6.352 5.896 -5.180 1.00 0.00 H new ATOM 0 HA SER A 159 -7.001 8.746 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.662 7.874 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.947 6.470 -5.400 1.00 0.00 H new ATOM 0 HG SER A 159 -10.541 8.129 -5.066 1.00 0.00 H new ATOM 870 N GLU A 160 -7.512 8.462 -2.434 1.00 0.00 N ATOM 871 CA GLU A 160 -7.649 8.374 -0.976 1.00 0.00 C ATOM 872 C GLU A 160 -8.938 7.633 -0.566 1.00 0.00 C ATOM 873 O GLU A 160 -8.977 6.992 0.483 1.00 0.00 O ATOM 874 CB GLU A 160 -7.612 9.801 -0.404 1.00 0.00 C ATOM 875 CG GLU A 160 -7.342 9.826 1.108 1.00 0.00 C ATOM 876 CD GLU A 160 -7.234 11.251 1.695 1.00 0.00 C ATOM 877 OE1 GLU A 160 -7.342 12.260 0.955 1.00 0.00 O ATOM 878 OE2 GLU A 160 -7.030 11.374 2.928 1.00 0.00 O ATOM 0 H GLU A 160 -7.557 9.419 -2.784 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.824 7.791 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -6.839 10.374 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -8.562 10.295 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -8.142 9.291 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -6.417 9.287 1.312 1.00 0.00 H new ATOM 885 N ASP A 161 -9.971 7.634 -1.418 1.00 0.00 N ATOM 886 CA ASP A 161 -11.184 6.836 -1.205 1.00 0.00 C ATOM 887 C ASP A 161 -10.950 5.319 -1.139 1.00 0.00 C ATOM 888 O ASP A 161 -11.612 4.620 -0.366 1.00 0.00 O ATOM 889 CB ASP A 161 -12.274 7.191 -2.231 1.00 0.00 C ATOM 890 CG ASP A 161 -12.961 8.554 -2.021 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.762 8.949 -2.904 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.747 9.231 -0.986 1.00 0.00 O ATOM 0 H ASP A 161 -9.989 8.188 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.534 7.111 -0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.830 7.176 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -13.036 6.412 -2.210 1.00 0.00 H new ATOM 897 N ILE A 162 -9.963 4.809 -1.890 1.00 0.00 N ATOM 898 CA ILE A 162 -9.535 3.408 -1.778 1.00 0.00 C ATOM 899 C ILE A 162 -8.815 3.178 -0.452 1.00 0.00 C ATOM 900 O ILE A 162 -9.071 2.178 0.208 1.00 0.00 O ATOM 901 CB ILE A 162 -8.632 2.954 -2.943 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.134 3.368 -4.332 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.456 1.426 -2.904 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.592 2.999 -4.648 1.00 0.00 C ATOM 0 H ILE A 162 -9.445 5.348 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.442 2.806 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.681 3.465 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -9.021 4.447 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.491 2.909 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.817 1.112 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -7.996 1.137 -1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.430 0.945 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.843 3.337 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.715 1.918 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.253 3.480 -3.927 1.00 0.00 H new ATOM 916 N VAL A 163 -7.966 4.110 -0.011 1.00 0.00 N ATOM 917 CA VAL A 163 -7.265 3.980 1.276 1.00 0.00 C ATOM 918 C VAL A 163 -8.263 3.829 2.427 1.00 0.00 C ATOM 919 O VAL A 163 -8.088 2.947 3.263 1.00 0.00 O ATOM 920 CB VAL A 163 -6.318 5.167 1.539 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.540 5.022 2.851 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.308 5.309 0.400 1.00 0.00 C ATOM 0 H VAL A 163 -7.745 4.964 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.655 3.078 1.219 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.952 6.051 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.889 5.886 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.240 4.962 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.937 4.115 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.647 6.152 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.718 4.396 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.838 5.480 -0.537 1.00 0.00 H new ATOM 932 N GLU A 164 -9.349 4.609 2.439 1.00 0.00 N ATOM 933 CA GLU A 164 -10.443 4.448 3.413 1.00 0.00 C ATOM 934 C GLU A 164 -11.157 3.088 3.282 1.00 0.00 C ATOM 935 O GLU A 164 -11.342 2.395 4.282 1.00 0.00 O ATOM 936 CB GLU A 164 -11.477 5.584 3.272 1.00 0.00 C ATOM 937 CG GLU A 164 -10.948 7.013 3.484 1.00 0.00 C ATOM 938 CD GLU A 164 -10.393 7.314 4.889 1.00 0.00 C ATOM 939 OE1 GLU A 164 -10.490 6.480 5.820 1.00 0.00 O ATOM 940 OE2 GLU A 164 -9.828 8.416 5.087 1.00 0.00 O ATOM 0 H GLU A 164 -9.498 5.370 1.776 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.982 4.491 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.917 5.526 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.281 5.407 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -10.161 7.202 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.755 7.715 3.273 1.00 0.00 H new ATOM 947 N LYS A 165 -11.512 2.674 2.056 1.00 0.00 N ATOM 948 CA LYS A 165 -12.173 1.388 1.744 1.00 0.00 C ATOM 949 C LYS A 165 -11.373 0.178 2.242 1.00 0.00 C ATOM 950 O LYS A 165 -11.919 -0.723 2.877 1.00 0.00 O ATOM 951 CB LYS A 165 -12.382 1.341 0.220 1.00 0.00 C ATOM 952 CG LYS A 165 -13.058 0.078 -0.334 1.00 0.00 C ATOM 953 CD LYS A 165 -13.166 0.201 -1.864 1.00 0.00 C ATOM 954 CE LYS A 165 -13.836 -1.029 -2.485 1.00 0.00 C ATOM 955 NZ LYS A 165 -13.926 -0.902 -3.964 1.00 0.00 N ATOM 0 H LYS A 165 -11.343 3.240 1.224 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.128 1.331 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.980 2.205 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.411 1.449 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.480 -0.807 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.048 -0.043 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -13.737 1.094 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -12.171 0.327 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.269 -1.924 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -14.835 -1.153 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -14.414 -1.733 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -14.458 -0.042 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -12.969 -0.842 -4.366 1.00 0.00 H new ATOM 969 N VAL A 166 -10.068 0.190 1.982 1.00 0.00 N ATOM 970 CA VAL A 166 -9.089 -0.822 2.413 1.00 0.00 C ATOM 971 C VAL A 166 -8.885 -0.773 3.934 1.00 0.00 C ATOM 972 O VAL A 166 -8.943 -1.809 4.599 1.00 0.00 O ATOM 973 CB VAL A 166 -7.755 -0.601 1.670 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.690 -1.616 2.086 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.908 -0.726 0.147 1.00 0.00 C ATOM 0 H VAL A 166 -9.637 0.939 1.440 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.471 -1.812 2.165 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.450 0.410 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.768 -1.422 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.501 -1.527 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.040 -2.624 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -6.942 -0.562 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.271 -1.723 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.620 0.019 -0.210 1.00 0.00 H new ATOM 985 N CYS A 167 -8.687 0.412 4.515 1.00 0.00 N ATOM 986 CA CYS A 167 -8.474 0.565 5.963 1.00 0.00 C ATOM 987 C CYS A 167 -9.691 0.197 6.832 1.00 0.00 C ATOM 988 O CYS A 167 -9.516 -0.304 7.942 1.00 0.00 O ATOM 989 CB CYS A 167 -7.988 1.984 6.288 1.00 0.00 C ATOM 990 SG CYS A 167 -6.269 2.191 5.740 1.00 0.00 S ATOM 0 H CYS A 167 -8.669 1.292 4.000 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.703 -0.160 6.222 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.626 2.718 5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.061 2.166 7.360 1.00 0.00 H new ATOM 0 HG CYS A 167 -6.253 2.584 4.501 1.00 0.00 H new ATOM 996 N GLU A 168 -10.920 0.383 6.337 1.00 0.00 N ATOM 997 CA GLU A 168 -12.159 -0.013 7.004 1.00 0.00 C ATOM 998 C GLU A 168 -12.271 -1.539 7.202 1.00 0.00 C ATOM 999 O GLU A 168 -12.837 -1.999 8.198 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.312 0.563 6.162 1.00 0.00 C ATOM 1001 CG GLU A 168 -14.681 0.192 6.728 1.00 0.00 C ATOM 1002 CD GLU A 168 -15.875 0.898 6.048 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -17.034 0.594 6.425 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -15.692 1.754 5.147 1.00 0.00 O ATOM 0 H GLU A 168 -11.081 0.827 5.433 1.00 0.00 H new ATOM 0 HA GLU A 168 -12.189 0.386 8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.221 1.648 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.232 0.195 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -14.816 -0.886 6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.695 0.428 7.792 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.689 -2.332 6.292 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.606 -3.800 6.399 1.00 0.00 C ATOM 1013 C ILE A 169 -10.628 -4.227 7.512 1.00 0.00 C ATOM 1014 O ILE A 169 -10.880 -5.216 8.204 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.230 -4.397 5.022 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.366 -4.142 4.000 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -10.925 -5.903 5.093 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -11.913 -4.263 2.543 1.00 0.00 C ATOM 0 H ILE A 169 -11.254 -1.967 5.445 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.581 -4.195 6.685 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.318 -3.895 4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.174 -4.851 4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.775 -3.145 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.667 -6.269 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.088 -6.073 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -11.803 -6.435 5.459 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.758 -4.072 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.126 -3.535 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.531 -5.268 2.363 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.560 -3.443 7.724 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.526 -3.557 8.774 1.00 0.00 C ATOM 1032 C HIS A 170 -7.660 -4.826 8.706 1.00 0.00 C ATOM 1033 O HIS A 170 -6.448 -4.717 8.523 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.161 -3.324 10.159 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.208 -3.267 11.333 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.570 -3.539 12.657 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.883 -2.937 11.303 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.456 -3.372 13.390 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.431 -3.011 12.603 1.00 0.00 N ATOM 0 H HIS A 170 -9.379 -2.644 7.116 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.800 -2.767 8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.720 -2.389 10.126 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.883 -4.120 10.343 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.303 -2.670 10.432 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.395 -3.509 14.460 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.478 -2.823 12.914 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.261 -6.014 8.798 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.620 -7.308 8.541 1.00 0.00 C ATOM 1049 C PHE A 171 -7.868 -7.928 7.162 1.00 0.00 C ATOM 1050 O PHE A 171 -9.006 -8.222 6.792 1.00 0.00 O ATOM 1051 CB PHE A 171 -7.743 -8.289 9.714 1.00 0.00 C ATOM 1052 CG PHE A 171 -6.727 -8.051 10.814 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -5.526 -8.789 10.824 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -6.963 -7.082 11.808 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -4.570 -8.562 11.831 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.006 -6.859 12.815 1.00 0.00 C ATOM 1057 CZ PHE A 171 -4.812 -7.600 12.827 1.00 0.00 C ATOM 0 H PHE A 171 -9.242 -6.106 9.063 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.561 -7.056 8.479 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -8.746 -8.215 10.135 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.629 -9.306 9.339 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.340 -9.528 10.059 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -7.879 -6.510 11.797 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -3.650 -9.127 11.839 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -6.189 -6.118 13.579 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.080 -7.430 13.602 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.785 -8.142 6.417 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.754 -8.630 5.034 1.00 0.00 C ATOM 1069 C HIS A 172 -6.087 -10.008 4.944 1.00 0.00 C ATOM 1070 O HIS A 172 -5.506 -10.477 5.924 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.043 -7.575 4.177 1.00 0.00 C ATOM 1072 CG HIS A 172 -6.860 -6.324 3.952 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.623 -6.052 2.812 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.001 -5.286 4.828 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.172 -4.845 3.016 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.804 -4.359 4.211 1.00 0.00 N ATOM 0 H HIS A 172 -5.848 -7.970 6.782 1.00 0.00 H new ATOM 0 HA HIS A 172 -7.767 -8.771 4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.103 -7.303 4.657 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -5.792 -8.013 3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.566 -5.209 5.813 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.819 -4.336 2.317 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.075 -3.454 4.596 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.156 -10.674 3.788 1.00 0.00 N ATOM 1085 CA GLU A 173 -5.646 -12.043 3.606 1.00 0.00 C ATOM 1086 C GLU A 173 -4.878 -12.210 2.282 1.00 0.00 C ATOM 1087 O GLU A 173 -5.423 -11.973 1.204 1.00 0.00 O ATOM 1088 CB GLU A 173 -6.809 -13.042 3.734 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.348 -14.508 3.681 1.00 0.00 C ATOM 1090 CD GLU A 173 -7.507 -15.526 3.732 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -8.686 -15.150 3.937 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.229 -16.738 3.562 1.00 0.00 O ATOM 0 H GLU A 173 -6.570 -10.279 2.944 1.00 0.00 H new ATOM 0 HA GLU A 173 -4.920 -12.250 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -7.332 -12.865 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.525 -12.863 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.777 -14.667 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -5.673 -14.698 4.515 1.00 0.00 H new ATOM 1099 N ILE A 174 -3.615 -12.644 2.365 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.671 -12.780 1.243 1.00 0.00 C ATOM 1101 C ILE A 174 -1.892 -14.098 1.402 1.00 0.00 C ATOM 1102 O ILE A 174 -1.371 -14.383 2.481 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.722 -11.551 1.152 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.500 -10.210 1.164 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.833 -11.664 -0.102 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.633 -8.949 1.074 1.00 0.00 C ATOM 0 H ILE A 174 -3.202 -12.923 3.255 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.224 -12.811 0.304 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.087 -11.553 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.202 -10.209 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.091 -10.160 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.172 -10.799 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.236 -12.574 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.462 -11.698 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.272 -8.066 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -0.949 -8.917 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.061 -8.966 0.146 1.00 0.00 H new ATOM 1118 N ASN A 175 -1.827 -14.915 0.342 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.180 -16.241 0.337 1.00 0.00 C ATOM 1120 C ASN A 175 -1.631 -17.164 1.496 1.00 0.00 C ATOM 1121 O ASN A 175 -0.811 -17.773 2.189 1.00 0.00 O ATOM 1122 CB ASN A 175 0.350 -16.090 0.199 1.00 0.00 C ATOM 1123 CG ASN A 175 0.782 -15.501 -1.134 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.317 -15.878 -2.202 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.719 -14.586 -1.108 1.00 0.00 N ATOM 0 H ASN A 175 -2.233 -14.669 -0.561 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.529 -16.775 -0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.719 -15.455 1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.817 -17.067 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.064 -14.185 -1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.103 -14.275 -0.216 1.00 0.00 H new ATOM 1132 N ASN A 176 -2.952 -17.252 1.717 1.00 0.00 N ATOM 1133 CA ASN A 176 -3.603 -18.075 2.753 1.00 0.00 C ATOM 1134 C ASN A 176 -3.162 -17.735 4.203 1.00 0.00 C ATOM 1135 O ASN A 176 -3.135 -18.604 5.081 1.00 0.00 O ATOM 1136 CB ASN A 176 -3.474 -19.565 2.360 1.00 0.00 C ATOM 1137 CG ASN A 176 -4.363 -20.502 3.170 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -5.513 -20.215 3.474 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -3.886 -21.687 3.486 1.00 0.00 N ATOM 0 H ASN A 176 -3.626 -16.730 1.156 1.00 0.00 H new ATOM 0 HA ASN A 176 -4.665 -17.830 2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -3.718 -19.673 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -2.435 -19.873 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -4.474 -22.358 3.981 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -2.928 -21.934 3.236 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.809 -16.466 4.461 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.397 -15.928 5.773 1.00 0.00 C ATOM 1148 C LYS A 177 -2.877 -14.478 5.931 1.00 0.00 C ATOM 1149 O LYS A 177 -3.138 -13.809 4.931 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.871 -16.072 5.897 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.373 -15.928 7.345 1.00 0.00 C ATOM 1152 CD LYS A 177 1.124 -16.230 7.482 1.00 0.00 C ATOM 1153 CE LYS A 177 1.453 -17.713 7.222 1.00 0.00 C ATOM 1154 NZ LYS A 177 2.899 -17.937 6.968 1.00 0.00 N ATOM 0 H LYS A 177 -2.802 -15.754 3.731 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.859 -16.489 6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.570 -17.045 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.388 -15.318 5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -0.570 -14.915 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 177 -0.937 -16.603 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 177 1.682 -15.609 6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 177 1.456 -15.958 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 177 1.142 -18.307 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 177 0.878 -18.065 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 3.094 -18.958 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 3.159 -17.519 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 3.457 -17.491 7.723 1.00 0.00 H new ATOM 1168 N MET A 178 -3.034 -13.990 7.163 1.00 0.00 N ATOM 1169 CA MET A 178 -3.671 -12.690 7.438 1.00 0.00 C ATOM 1170 C MET A 178 -2.691 -11.583 7.833 1.00 0.00 C ATOM 1171 O MET A 178 -1.664 -11.840 8.463 1.00 0.00 O ATOM 1172 CB MET A 178 -4.817 -12.812 8.452 1.00 0.00 C ATOM 1173 CG MET A 178 -6.010 -13.560 7.847 1.00 0.00 C ATOM 1174 SD MET A 178 -7.573 -13.346 8.740 1.00 0.00 S ATOM 1175 CE MET A 178 -8.137 -11.812 7.953 1.00 0.00 C ATOM 0 H MET A 178 -2.725 -14.481 8.002 1.00 0.00 H new ATOM 0 HA MET A 178 -4.096 -12.379 6.484 1.00 0.00 H new ATOM 0 HB2 MET A 178 -4.467 -13.338 9.340 1.00 0.00 H new ATOM 0 HB3 MET A 178 -5.131 -11.819 8.772 1.00 0.00 H new ATOM 0 HG2 MET A 178 -6.147 -13.226 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 178 -5.773 -14.623 7.808 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.930 -11.365 8.553 1.00 0.00 H new ATOM 0 HE2 MET A 178 -7.303 -11.114 7.877 1.00 0.00 H new ATOM 0 HE3 MET A 178 -8.517 -12.033 6.956 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.043 -10.345 7.473 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.233 -9.133 7.672 1.00 0.00 C ATOM 1187 C VAL A 179 -3.080 -7.961 8.162 1.00 0.00 C ATOM 1188 O VAL A 179 -4.246 -7.815 7.788 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.470 -8.732 6.392 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.512 -9.836 5.960 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.365 -8.384 5.194 1.00 0.00 C ATOM 0 H VAL A 179 -3.934 -10.149 7.017 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.502 -9.377 8.443 1.00 0.00 H new ATOM 0 HB VAL A 179 -0.933 -7.826 6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 179 0.013 -9.529 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 179 0.211 -10.022 6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.074 -10.748 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.742 -8.115 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -2.980 -9.246 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.009 -7.543 5.453 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.479 -7.103 8.981 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.080 -5.836 9.413 1.00 0.00 C ATOM 1203 C GLU A 180 -2.731 -4.716 8.423 1.00 0.00 C ATOM 1204 O GLU A 180 -1.551 -4.509 8.125 1.00 0.00 O ATOM 1205 CB GLU A 180 -2.597 -5.463 10.824 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.435 -4.309 11.396 1.00 0.00 C ATOM 1207 CD GLU A 180 -2.960 -3.792 12.765 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -1.814 -4.079 13.190 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -3.720 -3.025 13.400 1.00 0.00 O ATOM 0 H GLU A 180 -1.550 -7.266 9.370 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.163 -5.960 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -2.668 -6.331 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.546 -5.174 10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.424 -3.482 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.470 -4.638 11.486 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.734 -3.964 7.963 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.558 -2.763 7.143 1.00 0.00 C ATOM 1218 C CYS A 181 -3.984 -1.500 7.902 1.00 0.00 C ATOM 1219 O CYS A 181 -5.064 -1.456 8.498 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.309 -2.906 5.818 1.00 0.00 C ATOM 1221 SG CYS A 181 -3.644 -4.335 4.925 1.00 0.00 S ATOM 0 H CYS A 181 -4.713 -4.178 8.155 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.497 -2.656 6.918 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -5.376 -3.037 6.000 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.197 -2.001 5.220 1.00 0.00 H new ATOM 0 HG CYS A 181 -3.894 -4.208 3.656 1.00 0.00 H new ATOM 1227 N LYS A 182 -3.133 -0.468 7.873 1.00 0.00 N ATOM 1228 CA LYS A 182 -3.292 0.784 8.636 1.00 0.00 C ATOM 1229 C LYS A 182 -2.597 1.962 7.957 1.00 0.00 C ATOM 1230 O LYS A 182 -1.615 1.764 7.249 1.00 0.00 O ATOM 1231 CB LYS A 182 -2.823 0.586 10.094 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.477 -0.131 10.299 1.00 0.00 C ATOM 1233 CD LYS A 182 -1.282 -0.478 11.783 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.025 -1.331 11.980 1.00 0.00 C ATOM 1235 NZ LYS A 182 0.005 -1.965 13.320 1.00 0.00 N ATOM 0 H LYS A 182 -2.288 -0.477 7.302 1.00 0.00 H new ATOM 0 HA LYS A 182 -4.352 1.036 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -2.761 1.566 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -3.592 0.024 10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -1.445 -1.040 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -0.661 0.506 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 182 -1.201 0.438 12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -2.154 -1.016 12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 182 0.015 -2.103 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.861 -0.708 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 0.968 -2.302 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.277 -1.269 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -0.655 -2.769 13.339 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.087 3.189 8.151 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.552 4.398 7.489 1.00 0.00 C ATOM 1251 C LYS A 183 -1.089 4.655 7.876 1.00 0.00 C ATOM 1252 O LYS A 183 -0.737 4.616 9.060 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.459 5.609 7.769 1.00 0.00 C ATOM 1254 CG LYS A 183 -4.842 5.419 7.123 1.00 0.00 C ATOM 1255 CD LYS A 183 -5.823 6.532 7.505 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.200 6.202 6.913 1.00 0.00 C ATOM 1257 NZ LYS A 183 -8.233 7.182 7.330 1.00 0.00 N ATOM 0 H LYS A 183 -3.871 3.381 8.774 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.554 4.231 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.571 5.744 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -2.993 6.515 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.733 5.391 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.253 4.456 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -5.890 6.621 8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.470 7.492 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.133 6.187 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.500 5.203 7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -9.160 6.885 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.269 7.228 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -7.995 8.120 6.950 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.232 4.877 6.879 1.00 0.00 N ATOM 1272 CA ALA A 184 1.217 4.929 7.071 1.00 0.00 C ATOM 1273 C ALA A 184 1.669 6.194 7.829 1.00 0.00 C ATOM 1274 O ALA A 184 1.295 7.316 7.479 1.00 0.00 O ATOM 1275 CB ALA A 184 1.916 4.797 5.714 1.00 0.00 C ATOM 0 H ALA A 184 -0.524 5.026 5.913 1.00 0.00 H new ATOM 0 HA ALA A 184 1.507 4.089 7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.996 4.836 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.644 3.846 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.606 5.615 5.064 1.00 0.00 H new