USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=16 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 172 HIS : no HD1:sc= 0.539 K(o=-0.78,f=-4.6!) USER MOD Set 1.2: A 181 CYS SG : rot 176:sc= -1.32 USER MOD Set 2.1: A 139 MET CE :methyl -176:sc= 0 (180deg=-0.0111) USER MOD Set 2.2: A 141 MET CE :methyl -144:sc= 0 (180deg=-0.0666) USER MOD Set 3.1: A 117 SER OG : rot 180:sc= 0.946 USER MOD Set 3.2: A 120 THR OG1 : rot 79:sc= 1.82 USER MOD Set 3.3: A 175 ASN : amide:sc= 1.52 K(o=4.3,f=1.7) USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 1.58 (180deg=1.46) 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=-0.061) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 126 LYS NZ :NH3+ 157:sc= 0.572 (180deg=0.368) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0.976 K(o=0.98,f=-0.16) USER MOD Single : A 134 LYS NZ :NH3+ 158:sc= 0.926 (180deg=0.306) USER MOD Single : A 149 HIS : no HD1:sc= 1.26 K(o=1.3,f=-7.2!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0.00513 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 CYS SG : rot -21:sc= -0.401 USER MOD Single : A 170 HIS : no HD1:sc= 0.835 K(o=0.84,f=-2.8!) USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 177 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MET CE :methyl -162:sc= -0.0944 (180deg=-0.816) USER MOD Single : A 182 LYS NZ :NH3+ 170:sc= 0.882 (180deg=0.6) USER MOD Single : A 183 LYS NZ :NH3+ -175:sc= 1.13 (180deg=0.883) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 109 -1.383 9.031 0.502 1.00 0.00 N ATOM 56 CA LYS A 109 -2.233 7.881 0.113 1.00 0.00 C ATOM 57 C LYS A 109 -1.586 6.508 0.392 1.00 0.00 C ATOM 58 O LYS A 109 -1.667 5.592 -0.429 1.00 0.00 O ATOM 59 CB LYS A 109 -2.689 8.015 -1.353 1.00 0.00 C ATOM 60 CG LYS A 109 -3.581 9.233 -1.632 1.00 0.00 C ATOM 61 CD LYS A 109 -3.864 9.317 -3.139 1.00 0.00 C ATOM 62 CE LYS A 109 -2.654 9.869 -3.909 1.00 0.00 C ATOM 63 NZ LYS A 109 -2.591 9.327 -5.289 1.00 0.00 N ATOM 0 HA LYS A 109 -3.113 7.915 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.807 8.072 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.229 7.112 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.516 9.148 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.090 10.144 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -4.117 8.327 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.730 9.956 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.712 10.957 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.737 9.617 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.906 9.876 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.293 8.331 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.530 9.393 -5.731 1.00 0.00 H new ATOM 77 N LYS A 110 -0.898 6.386 1.532 1.00 0.00 N ATOM 78 CA LYS A 110 -0.025 5.252 1.880 1.00 0.00 C ATOM 79 C LYS A 110 -0.548 4.472 3.094 1.00 0.00 C ATOM 80 O LYS A 110 -0.993 5.070 4.076 1.00 0.00 O ATOM 81 CB LYS A 110 1.401 5.807 2.065 1.00 0.00 C ATOM 82 CG LYS A 110 2.505 4.747 2.217 1.00 0.00 C ATOM 83 CD LYS A 110 3.867 5.443 2.390 1.00 0.00 C ATOM 84 CE LYS A 110 5.018 4.432 2.451 1.00 0.00 C ATOM 85 NZ LYS A 110 6.320 5.098 2.711 1.00 0.00 N ATOM 0 H LYS A 110 -0.932 7.095 2.264 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.015 4.513 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.641 6.438 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.412 6.448 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.298 4.112 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.525 4.099 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.031 6.132 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.858 6.039 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.820 3.702 3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.071 3.884 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.075 4.383 2.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.521 5.777 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.277 5.601 3.620 1.00 0.00 H new ATOM 99 N ILE A 111 -0.455 3.143 3.044 1.00 0.00 N ATOM 100 CA ILE A 111 -0.763 2.230 4.157 1.00 0.00 C ATOM 101 C ILE A 111 0.446 1.363 4.512 1.00 0.00 C ATOM 102 O ILE A 111 1.269 1.021 3.664 1.00 0.00 O ATOM 103 CB ILE A 111 -1.997 1.328 3.882 1.00 0.00 C ATOM 104 CG1 ILE A 111 -1.732 0.242 2.815 1.00 0.00 C ATOM 105 CG2 ILE A 111 -3.225 2.182 3.546 1.00 0.00 C ATOM 106 CD1 ILE A 111 -2.902 -0.718 2.564 1.00 0.00 C ATOM 0 H ILE A 111 -0.154 2.651 2.203 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.011 2.868 5.005 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.204 0.782 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.475 0.732 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.862 -0.340 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.079 1.532 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.450 2.842 4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.020 2.780 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.620 -1.443 1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.148 -1.241 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.770 -0.153 2.225 1.00 0.00 H new ATOM 118 N PHE A 112 0.506 1.003 5.786 1.00 0.00 N ATOM 119 CA PHE A 112 1.358 -0.026 6.365 1.00 0.00 C ATOM 120 C PHE A 112 0.639 -1.373 6.184 1.00 0.00 C ATOM 121 O PHE A 112 -0.589 -1.443 6.296 1.00 0.00 O ATOM 122 CB PHE A 112 1.486 0.283 7.860 1.00 0.00 C ATOM 123 CG PHE A 112 2.414 -0.640 8.613 1.00 0.00 C ATOM 124 CD1 PHE A 112 3.778 -0.323 8.682 1.00 0.00 C ATOM 125 CD2 PHE A 112 1.934 -1.805 9.243 1.00 0.00 C ATOM 126 CE1 PHE A 112 4.664 -1.157 9.373 1.00 0.00 C ATOM 127 CE2 PHE A 112 2.822 -2.640 9.947 1.00 0.00 C ATOM 128 CZ PHE A 112 4.190 -2.315 10.015 1.00 0.00 C ATOM 0 H PHE A 112 -0.079 1.453 6.490 1.00 0.00 H new ATOM 0 HA PHE A 112 2.342 -0.059 5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.839 1.308 7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.497 0.233 8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.147 0.570 8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.885 -2.057 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.715 -0.911 9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.454 -3.530 10.435 1.00 0.00 H new ATOM 0 HZ PHE A 112 4.873 -2.952 10.558 1.00 0.00 H new ATOM 138 N VAL A 113 1.397 -2.447 5.969 1.00 0.00 N ATOM 139 CA VAL A 113 0.917 -3.832 5.882 1.00 0.00 C ATOM 140 C VAL A 113 1.782 -4.744 6.749 1.00 0.00 C ATOM 141 O VAL A 113 2.978 -4.868 6.486 1.00 0.00 O ATOM 142 CB VAL A 113 0.864 -4.335 4.425 1.00 0.00 C ATOM 143 CG1 VAL A 113 0.160 -5.694 4.349 1.00 0.00 C ATOM 144 CG2 VAL A 113 0.145 -3.360 3.485 1.00 0.00 C ATOM 0 H VAL A 113 2.407 -2.376 5.845 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.105 -3.856 6.260 1.00 0.00 H new ATOM 0 HB VAL A 113 1.900 -4.422 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.133 -6.032 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.704 -6.420 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.858 -5.598 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.139 -3.767 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.881 -3.217 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.665 -2.402 3.487 1.00 0.00 H new ATOM 154 N GLY A 114 1.201 -5.374 7.773 1.00 0.00 N ATOM 155 CA GLY A 114 1.917 -6.218 8.743 1.00 0.00 C ATOM 156 C GLY A 114 1.414 -7.664 8.803 1.00 0.00 C ATOM 157 O GLY A 114 0.229 -7.925 8.583 1.00 0.00 O ATOM 0 H GLY A 114 0.200 -5.313 7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.977 -6.223 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.827 -5.772 9.733 1.00 0.00 H new ATOM 161 N GLY A 115 2.312 -8.600 9.126 1.00 0.00 N ATOM 162 CA GLY A 115 2.026 -10.039 9.240 1.00 0.00 C ATOM 163 C GLY A 115 2.228 -10.845 7.944 1.00 0.00 C ATOM 164 O GLY A 115 1.721 -11.960 7.826 1.00 0.00 O ATOM 0 H GLY A 115 3.287 -8.374 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 115 2.664 -10.461 10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 115 0.995 -10.165 9.572 1.00 0.00 H new ATOM 168 N LEU A 116 2.933 -10.280 6.958 1.00 0.00 N ATOM 169 CA LEU A 116 3.211 -10.906 5.659 1.00 0.00 C ATOM 170 C LEU A 116 4.164 -12.104 5.803 1.00 0.00 C ATOM 171 O LEU A 116 5.197 -12.003 6.466 1.00 0.00 O ATOM 172 CB LEU A 116 3.828 -9.851 4.721 1.00 0.00 C ATOM 173 CG LEU A 116 2.814 -8.807 4.223 1.00 0.00 C ATOM 174 CD1 LEU A 116 3.545 -7.559 3.736 1.00 0.00 C ATOM 175 CD2 LEU A 116 2.014 -9.358 3.044 1.00 0.00 C ATOM 0 H LEU A 116 3.338 -9.348 7.043 1.00 0.00 H new ATOM 0 HA LEU A 116 2.275 -11.280 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.637 -9.340 5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.271 -10.355 3.862 1.00 0.00 H new ATOM 0 HG LEU A 116 2.149 -8.567 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.819 -6.826 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.124 -7.133 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.215 -7.826 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.302 -8.606 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.693 -9.609 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.476 -10.253 3.356 1.00 0.00 H new ATOM 187 N SER A 117 3.872 -13.226 5.137 1.00 0.00 N ATOM 188 CA SER A 117 4.784 -14.378 5.133 1.00 0.00 C ATOM 189 C SER A 117 6.063 -14.090 4.340 1.00 0.00 C ATOM 190 O SER A 117 6.045 -13.341 3.362 1.00 0.00 O ATOM 191 CB SER A 117 4.097 -15.640 4.600 1.00 0.00 C ATOM 192 OG SER A 117 3.848 -15.549 3.208 1.00 0.00 O ATOM 0 H SER A 117 3.018 -13.362 4.597 1.00 0.00 H new ATOM 0 HA SER A 117 5.066 -14.557 6.171 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.723 -16.509 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.157 -15.794 5.129 1.00 0.00 H new ATOM 0 HG SER A 117 3.411 -16.370 2.900 1.00 0.00 H new ATOM 198 N VAL A 118 7.178 -14.731 4.707 1.00 0.00 N ATOM 199 CA VAL A 118 8.440 -14.646 3.938 1.00 0.00 C ATOM 200 C VAL A 118 8.356 -15.264 2.532 1.00 0.00 C ATOM 201 O VAL A 118 9.205 -14.987 1.685 1.00 0.00 O ATOM 202 CB VAL A 118 9.652 -15.186 4.726 1.00 0.00 C ATOM 203 CG1 VAL A 118 9.726 -14.614 6.146 1.00 0.00 C ATOM 204 CG2 VAL A 118 9.667 -16.718 4.817 1.00 0.00 C ATOM 0 H VAL A 118 7.239 -15.320 5.537 1.00 0.00 H new ATOM 0 HA VAL A 118 8.601 -13.579 3.785 1.00 0.00 H new ATOM 0 HB VAL A 118 10.522 -14.857 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 118 10.596 -15.025 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 118 9.813 -13.529 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 118 8.822 -14.881 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 118 10.542 -17.040 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 118 8.763 -17.061 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 118 9.707 -17.142 3.814 1.00 0.00 H new ATOM 214 N ASN A 119 7.328 -16.081 2.271 1.00 0.00 N ATOM 215 CA ASN A 119 7.001 -16.611 0.942 1.00 0.00 C ATOM 216 C ASN A 119 6.244 -15.596 0.059 1.00 0.00 C ATOM 217 O ASN A 119 6.366 -15.637 -1.167 1.00 0.00 O ATOM 218 CB ASN A 119 6.191 -17.907 1.120 1.00 0.00 C ATOM 219 CG ASN A 119 6.977 -19.009 1.815 1.00 0.00 C ATOM 220 OD1 ASN A 119 8.127 -19.289 1.502 1.00 0.00 O ATOM 221 ND2 ASN A 119 6.376 -19.700 2.759 1.00 0.00 N ATOM 0 H ASN A 119 6.685 -16.399 2.996 1.00 0.00 H new ATOM 0 HA ASN A 119 7.932 -16.818 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 119 5.292 -17.691 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 119 5.865 -18.262 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 119 6.868 -20.463 3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 119 5.418 -19.473 3.026 1.00 0.00 H new ATOM 228 N THR A 120 5.479 -14.680 0.664 1.00 0.00 N ATOM 229 CA THR A 120 4.787 -13.580 -0.031 1.00 0.00 C ATOM 230 C THR A 120 5.787 -12.531 -0.515 1.00 0.00 C ATOM 231 O THR A 120 6.687 -12.134 0.228 1.00 0.00 O ATOM 232 CB THR A 120 3.745 -12.928 0.895 1.00 0.00 C ATOM 233 OG1 THR A 120 2.760 -13.880 1.233 1.00 0.00 O ATOM 234 CG2 THR A 120 3.017 -11.740 0.272 1.00 0.00 C ATOM 0 H THR A 120 5.318 -14.680 1.671 1.00 0.00 H new ATOM 0 HA THR A 120 4.275 -13.997 -0.898 1.00 0.00 H new ATOM 0 HB THR A 120 4.304 -12.569 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 120 3.104 -14.472 1.934 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.300 -11.337 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 120 3.740 -10.968 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.490 -12.066 -0.625 1.00 0.00 H new ATOM 242 N THR A 121 5.604 -12.046 -1.745 1.00 0.00 N ATOM 243 CA THR A 121 6.403 -10.974 -2.364 1.00 0.00 C ATOM 244 C THR A 121 5.614 -9.723 -2.754 1.00 0.00 C ATOM 245 O THR A 121 4.385 -9.750 -2.835 1.00 0.00 O ATOM 246 CB THR A 121 7.311 -11.516 -3.478 1.00 0.00 C ATOM 247 OG1 THR A 121 8.371 -10.607 -3.683 1.00 0.00 O ATOM 248 CG2 THR A 121 6.599 -11.698 -4.819 1.00 0.00 C ATOM 0 H THR A 121 4.872 -12.397 -2.362 1.00 0.00 H new ATOM 0 HA THR A 121 7.060 -10.605 -1.576 1.00 0.00 H new ATOM 0 HB THR A 121 7.652 -12.497 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 121 8.958 -10.944 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 121 7.304 -12.084 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 121 5.776 -12.402 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 121 6.209 -10.738 -5.157 1.00 0.00 H new ATOM 256 N VAL A 122 6.315 -8.612 -2.994 1.00 0.00 N ATOM 257 CA VAL A 122 5.743 -7.276 -3.242 1.00 0.00 C ATOM 258 C VAL A 122 4.686 -7.214 -4.353 1.00 0.00 C ATOM 259 O VAL A 122 3.681 -6.513 -4.216 1.00 0.00 O ATOM 260 CB VAL A 122 6.890 -6.268 -3.459 1.00 0.00 C ATOM 261 CG1 VAL A 122 7.587 -6.394 -4.820 1.00 0.00 C ATOM 262 CG2 VAL A 122 6.396 -4.832 -3.303 1.00 0.00 C ATOM 0 H VAL A 122 7.335 -8.613 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 122 5.176 -7.005 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 122 7.622 -6.513 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.380 -5.650 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.015 -7.392 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 122 6.862 -6.230 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.225 -4.143 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.615 -4.634 -4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 122 5.995 -4.692 -2.299 1.00 0.00 H new ATOM 272 N GLU A 123 4.863 -7.993 -5.423 1.00 0.00 N ATOM 273 CA GLU A 123 3.898 -8.088 -6.525 1.00 0.00 C ATOM 274 C GLU A 123 2.577 -8.745 -6.094 1.00 0.00 C ATOM 275 O GLU A 123 1.509 -8.312 -6.525 1.00 0.00 O ATOM 276 CB GLU A 123 4.512 -8.865 -7.702 1.00 0.00 C ATOM 277 CG GLU A 123 5.736 -8.152 -8.302 1.00 0.00 C ATOM 278 CD GLU A 123 6.273 -8.811 -9.593 1.00 0.00 C ATOM 279 OE1 GLU A 123 7.180 -8.220 -10.229 1.00 0.00 O ATOM 280 OE2 GLU A 123 5.817 -9.913 -9.989 1.00 0.00 O ATOM 0 H GLU A 123 5.686 -8.581 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 123 3.667 -7.070 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.804 -9.859 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.758 -9.000 -8.477 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.472 -7.116 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.533 -8.130 -7.558 1.00 0.00 H new ATOM 287 N ASP A 124 2.628 -9.738 -5.196 1.00 0.00 N ATOM 288 CA ASP A 124 1.430 -10.371 -4.629 1.00 0.00 C ATOM 289 C ASP A 124 0.682 -9.320 -3.800 1.00 0.00 C ATOM 290 O ASP A 124 -0.521 -9.147 -3.972 1.00 0.00 O ATOM 291 CB ASP A 124 1.778 -11.539 -3.686 1.00 0.00 C ATOM 292 CG ASP A 124 2.772 -12.583 -4.209 1.00 0.00 C ATOM 293 OD1 ASP A 124 3.418 -13.227 -3.348 1.00 0.00 O ATOM 294 OD2 ASP A 124 2.877 -12.802 -5.439 1.00 0.00 O ATOM 0 H ASP A 124 3.503 -10.125 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 124 0.833 -10.757 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 124 2.180 -11.121 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 124 0.852 -12.053 -3.427 1.00 0.00 H new ATOM 299 N VAL A 125 1.388 -8.582 -2.933 1.00 0.00 N ATOM 300 CA VAL A 125 0.779 -7.562 -2.066 1.00 0.00 C ATOM 301 C VAL A 125 0.096 -6.460 -2.877 1.00 0.00 C ATOM 302 O VAL A 125 -1.043 -6.106 -2.572 1.00 0.00 O ATOM 303 CB VAL A 125 1.781 -6.999 -1.037 1.00 0.00 C ATOM 304 CG1 VAL A 125 1.098 -6.095 -0.006 1.00 0.00 C ATOM 305 CG2 VAL A 125 2.463 -8.138 -0.270 1.00 0.00 C ATOM 0 H VAL A 125 2.397 -8.674 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 125 -0.003 -8.059 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 125 2.509 -6.419 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.841 -5.721 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.625 -5.255 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.341 -6.665 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.166 -7.721 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.710 -8.725 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.999 -8.779 -0.970 1.00 0.00 H new ATOM 315 N LYS A 126 0.718 -5.985 -3.966 1.00 0.00 N ATOM 316 CA LYS A 126 0.068 -5.059 -4.907 1.00 0.00 C ATOM 317 C LYS A 126 -1.202 -5.667 -5.520 1.00 0.00 C ATOM 318 O LYS A 126 -2.271 -5.071 -5.392 1.00 0.00 O ATOM 319 CB LYS A 126 1.079 -4.551 -5.953 1.00 0.00 C ATOM 320 CG LYS A 126 0.413 -3.642 -7.000 1.00 0.00 C ATOM 321 CD LYS A 126 1.408 -2.691 -7.686 1.00 0.00 C ATOM 322 CE LYS A 126 0.656 -1.831 -8.712 1.00 0.00 C ATOM 323 NZ LYS A 126 1.531 -0.823 -9.368 1.00 0.00 N ATOM 0 H LYS A 126 1.676 -6.228 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.273 -4.183 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.876 -4.003 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 126 1.543 -5.402 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -0.071 -4.261 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.370 -3.056 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 126 1.892 -2.055 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.195 -3.262 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.221 -2.478 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.170 -1.321 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.119 -0.549 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.611 0.016 -8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 2.475 -1.231 -9.522 1.00 0.00 H new ATOM 337 N HIS A 127 -1.134 -6.866 -6.108 1.00 0.00 N ATOM 338 CA HIS A 127 -2.304 -7.528 -6.714 1.00 0.00 C ATOM 339 C HIS A 127 -3.452 -7.802 -5.727 1.00 0.00 C ATOM 340 O HIS A 127 -4.618 -7.595 -6.069 1.00 0.00 O ATOM 341 CB HIS A 127 -1.881 -8.812 -7.440 1.00 0.00 C ATOM 342 CG HIS A 127 -1.251 -8.542 -8.786 1.00 0.00 C ATOM 343 ND1 HIS A 127 -1.899 -7.948 -9.876 1.00 0.00 N ATOM 344 CD2 HIS A 127 -0.036 -9.001 -9.201 1.00 0.00 C ATOM 345 CE1 HIS A 127 -1.036 -8.018 -10.904 1.00 0.00 C ATOM 346 NE2 HIS A 127 0.092 -8.643 -10.527 1.00 0.00 N ATOM 0 H HIS A 127 -0.272 -7.407 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.708 -6.821 -7.438 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -1.175 -9.361 -6.817 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -2.753 -9.453 -7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 127 0.686 -9.541 -8.607 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -1.223 -7.627 -11.893 1.00 0.00 H new ATOM 0 HE2 HIS A 127 0.903 -8.822 -11.119 1.00 0.00 H new ATOM 354 N TYR A 128 -3.143 -8.194 -4.489 1.00 0.00 N ATOM 355 CA TYR A 128 -4.106 -8.310 -3.395 1.00 0.00 C ATOM 356 C TYR A 128 -4.762 -7.020 -2.871 1.00 0.00 C ATOM 357 O TYR A 128 -5.815 -7.091 -2.233 1.00 0.00 O ATOM 358 CB TYR A 128 -3.582 -9.237 -2.290 1.00 0.00 C ATOM 359 CG TYR A 128 -3.774 -10.726 -2.546 1.00 0.00 C ATOM 360 CD1 TYR A 128 -2.728 -11.520 -3.058 1.00 0.00 C ATOM 361 CD2 TYR A 128 -5.006 -11.332 -2.226 1.00 0.00 C ATOM 362 CE1 TYR A 128 -2.903 -12.905 -3.243 1.00 0.00 C ATOM 363 CE2 TYR A 128 -5.185 -12.718 -2.401 1.00 0.00 C ATOM 364 CZ TYR A 128 -4.135 -13.509 -2.913 1.00 0.00 C ATOM 365 OH TYR A 128 -4.303 -14.852 -3.053 1.00 0.00 O ATOM 0 H TYR A 128 -2.193 -8.445 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.969 -8.781 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.519 -9.043 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.079 -8.978 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.783 -11.062 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -5.817 -10.730 -1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -2.095 -13.504 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -6.128 -13.176 -2.143 1.00 0.00 H new ATOM 0 HH TYR A 128 -5.211 -15.098 -2.779 1.00 0.00 H new ATOM 375 N PHE A 129 -4.201 -5.844 -3.184 1.00 0.00 N ATOM 376 CA PHE A 129 -4.828 -4.535 -2.951 1.00 0.00 C ATOM 377 C PHE A 129 -5.515 -3.872 -4.158 1.00 0.00 C ATOM 378 O PHE A 129 -6.503 -3.154 -3.999 1.00 0.00 O ATOM 379 CB PHE A 129 -3.906 -3.602 -2.152 1.00 0.00 C ATOM 380 CG PHE A 129 -3.764 -3.980 -0.684 1.00 0.00 C ATOM 381 CD1 PHE A 129 -4.870 -3.922 0.187 1.00 0.00 C ATOM 382 CD2 PHE A 129 -2.524 -4.425 -0.189 1.00 0.00 C ATOM 383 CE1 PHE A 129 -4.736 -4.323 1.531 1.00 0.00 C ATOM 384 CE2 PHE A 129 -2.391 -4.825 1.153 1.00 0.00 C ATOM 385 CZ PHE A 129 -3.498 -4.775 2.015 1.00 0.00 C ATOM 0 H PHE A 129 -3.279 -5.774 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 129 -5.691 -4.755 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.919 -3.601 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.290 -2.584 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -5.824 -3.569 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -1.667 -4.460 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -5.589 -4.283 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.436 -5.171 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 129 -3.398 -5.083 3.045 1.00 0.00 H new ATOM 395 N GLU A 130 -5.062 -4.192 -5.375 1.00 0.00 N ATOM 396 CA GLU A 130 -5.640 -3.736 -6.653 1.00 0.00 C ATOM 397 C GLU A 130 -7.127 -4.100 -6.841 1.00 0.00 C ATOM 398 O GLU A 130 -7.838 -3.433 -7.597 1.00 0.00 O ATOM 399 CB GLU A 130 -4.811 -4.311 -7.817 1.00 0.00 C ATOM 400 CG GLU A 130 -3.425 -3.663 -7.982 1.00 0.00 C ATOM 401 CD GLU A 130 -3.421 -2.539 -9.025 1.00 0.00 C ATOM 402 OE1 GLU A 130 -4.281 -1.638 -8.953 1.00 0.00 O ATOM 403 OE2 GLU A 130 -2.564 -2.533 -9.939 1.00 0.00 O ATOM 0 H GLU A 130 -4.252 -4.798 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.600 -2.647 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -4.683 -5.382 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.371 -4.187 -8.744 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -3.098 -3.264 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -2.703 -4.426 -8.273 1.00 0.00 H new ATOM 410 N GLN A 131 -7.627 -5.123 -6.133 1.00 0.00 N ATOM 411 CA GLN A 131 -9.045 -5.515 -6.146 1.00 0.00 C ATOM 412 C GLN A 131 -9.993 -4.426 -5.604 1.00 0.00 C ATOM 413 O GLN A 131 -11.147 -4.354 -6.031 1.00 0.00 O ATOM 414 CB GLN A 131 -9.233 -6.836 -5.375 1.00 0.00 C ATOM 415 CG GLN A 131 -8.897 -6.776 -3.874 1.00 0.00 C ATOM 416 CD GLN A 131 -9.140 -8.110 -3.164 1.00 0.00 C ATOM 417 OE1 GLN A 131 -10.118 -8.813 -3.393 1.00 0.00 O ATOM 418 NE2 GLN A 131 -8.277 -8.508 -2.255 1.00 0.00 N ATOM 0 H GLN A 131 -7.052 -5.709 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 131 -9.321 -5.655 -7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 131 -10.268 -7.158 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 131 -8.610 -7.600 -5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 131 -7.853 -6.487 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 131 -9.500 -6.001 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 131 -7.456 -7.939 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 131 -8.429 -9.385 -1.757 1.00 0.00 H new ATOM 427 N PHE A 132 -9.528 -3.577 -4.678 1.00 0.00 N ATOM 428 CA PHE A 132 -10.330 -2.501 -4.078 1.00 0.00 C ATOM 429 C PHE A 132 -10.378 -1.219 -4.923 1.00 0.00 C ATOM 430 O PHE A 132 -11.340 -0.452 -4.852 1.00 0.00 O ATOM 431 CB PHE A 132 -9.785 -2.207 -2.676 1.00 0.00 C ATOM 432 CG PHE A 132 -9.843 -3.415 -1.763 1.00 0.00 C ATOM 433 CD1 PHE A 132 -11.080 -3.911 -1.315 1.00 0.00 C ATOM 434 CD2 PHE A 132 -8.656 -4.090 -1.422 1.00 0.00 C ATOM 435 CE1 PHE A 132 -11.127 -5.073 -0.526 1.00 0.00 C ATOM 436 CE2 PHE A 132 -8.701 -5.242 -0.621 1.00 0.00 C ATOM 437 CZ PHE A 132 -9.938 -5.736 -0.173 1.00 0.00 C ATOM 0 H PHE A 132 -8.574 -3.618 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.361 -2.850 -4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -8.753 -1.866 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.357 -1.392 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.994 -3.399 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.706 -3.720 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -12.079 -5.458 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.786 -5.748 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 132 -9.976 -6.623 0.441 1.00 0.00 H new ATOM 447 N GLY A 133 -9.331 -0.999 -5.716 1.00 0.00 N ATOM 448 CA GLY A 133 -9.079 0.177 -6.546 1.00 0.00 C ATOM 449 C GLY A 133 -7.587 0.289 -6.879 1.00 0.00 C ATOM 450 O GLY A 133 -6.768 -0.441 -6.316 1.00 0.00 O ATOM 0 H GLY A 133 -8.583 -1.687 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -9.659 0.111 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -9.410 1.075 -6.025 1.00 0.00 H new ATOM 454 N LYS A 134 -7.222 1.181 -7.809 1.00 0.00 N ATOM 455 CA LYS A 134 -5.865 1.231 -8.373 1.00 0.00 C ATOM 456 C LYS A 134 -4.784 1.526 -7.326 1.00 0.00 C ATOM 457 O LYS A 134 -4.876 2.471 -6.537 1.00 0.00 O ATOM 458 CB LYS A 134 -5.810 2.171 -9.587 1.00 0.00 C ATOM 459 CG LYS A 134 -4.411 2.361 -10.211 1.00 0.00 C ATOM 460 CD LYS A 134 -3.677 1.118 -10.743 1.00 0.00 C ATOM 461 CE LYS A 134 -4.539 0.188 -11.603 1.00 0.00 C ATOM 462 NZ LYS A 134 -3.771 -1.018 -12.003 1.00 0.00 N ATOM 0 H LYS A 134 -7.854 1.885 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 134 -5.628 0.229 -8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -6.483 1.787 -10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.192 3.147 -9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.507 3.069 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.773 2.829 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.819 1.443 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -3.288 0.552 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -5.428 -0.109 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -4.881 0.719 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -4.430 -1.784 -12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -3.179 -0.795 -12.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -3.165 -1.321 -11.214 1.00 0.00 H new ATOM 476 N VAL A 135 -3.732 0.718 -7.376 1.00 0.00 N ATOM 477 CA VAL A 135 -2.510 0.819 -6.569 1.00 0.00 C ATOM 478 C VAL A 135 -1.391 1.422 -7.418 1.00 0.00 C ATOM 479 O VAL A 135 -1.051 0.894 -8.477 1.00 0.00 O ATOM 480 CB VAL A 135 -2.108 -0.565 -6.019 1.00 0.00 C ATOM 481 CG1 VAL A 135 -0.837 -0.516 -5.166 1.00 0.00 C ATOM 482 CG2 VAL A 135 -3.222 -1.181 -5.165 1.00 0.00 C ATOM 0 H VAL A 135 -3.702 -0.074 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.693 1.471 -5.715 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.925 -1.179 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.602 -1.517 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.009 -0.143 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.995 0.148 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.901 -2.155 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -3.438 -0.526 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -4.121 -1.300 -5.770 1.00 0.00 H new ATOM 492 N ASP A 136 -0.793 2.511 -6.946 1.00 0.00 N ATOM 493 CA ASP A 136 0.413 3.094 -7.537 1.00 0.00 C ATOM 494 C ASP A 136 1.675 2.244 -7.334 1.00 0.00 C ATOM 495 O ASP A 136 2.315 1.815 -8.294 1.00 0.00 O ATOM 496 CB ASP A 136 0.615 4.546 -7.059 1.00 0.00 C ATOM 497 CG ASP A 136 -0.302 5.589 -7.725 1.00 0.00 C ATOM 498 OD1 ASP A 136 -1.030 5.266 -8.693 1.00 0.00 O ATOM 499 OD2 ASP A 136 -0.262 6.765 -7.290 1.00 0.00 O ATOM 0 H ASP A 136 -1.134 3.022 -6.132 1.00 0.00 H new ATOM 0 HA ASP A 136 0.248 3.107 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 136 0.457 4.582 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 136 1.652 4.830 -7.239 1.00 0.00 H new ATOM 504 N ASP A 137 1.990 1.944 -6.074 1.00 0.00 N ATOM 505 CA ASP A 137 3.239 1.316 -5.628 1.00 0.00 C ATOM 506 C ASP A 137 3.115 0.378 -4.418 1.00 0.00 C ATOM 507 O ASP A 137 2.166 0.477 -3.641 1.00 0.00 O ATOM 508 CB ASP A 137 4.329 2.383 -5.403 1.00 0.00 C ATOM 509 CG ASP A 137 4.995 2.868 -6.701 1.00 0.00 C ATOM 510 OD1 ASP A 137 5.022 4.099 -6.943 1.00 0.00 O ATOM 511 OD2 ASP A 137 5.554 2.028 -7.446 1.00 0.00 O ATOM 0 H ASP A 137 1.355 2.140 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 137 3.531 0.656 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 137 3.888 3.238 -4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 137 5.094 1.975 -4.743 1.00 0.00 H new ATOM 516 N ALA A 138 4.096 -0.507 -4.238 1.00 0.00 N ATOM 517 CA ALA A 138 4.268 -1.329 -3.042 1.00 0.00 C ATOM 518 C ALA A 138 5.766 -1.564 -2.760 1.00 0.00 C ATOM 519 O ALA A 138 6.590 -1.532 -3.680 1.00 0.00 O ATOM 520 CB ALA A 138 3.482 -2.637 -3.205 1.00 0.00 C ATOM 0 H ALA A 138 4.814 -0.676 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 138 3.867 -0.810 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.609 -3.251 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.424 -2.411 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.853 -3.179 -4.075 1.00 0.00 H new ATOM 526 N MET A 139 6.121 -1.792 -1.493 1.00 0.00 N ATOM 527 CA MET A 139 7.501 -2.021 -1.037 1.00 0.00 C ATOM 528 C MET A 139 7.528 -2.863 0.246 1.00 0.00 C ATOM 529 O MET A 139 6.902 -2.498 1.240 1.00 0.00 O ATOM 530 CB MET A 139 8.233 -0.674 -0.851 1.00 0.00 C ATOM 531 CG MET A 139 7.536 0.309 0.105 1.00 0.00 C ATOM 532 SD MET A 139 8.291 1.957 0.225 1.00 0.00 S ATOM 533 CE MET A 139 9.810 1.549 1.126 1.00 0.00 C ATOM 0 H MET A 139 5.441 -1.824 -0.733 1.00 0.00 H new ATOM 0 HA MET A 139 8.030 -2.589 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 139 9.238 -0.871 -0.479 1.00 0.00 H new ATOM 0 HB3 MET A 139 8.341 -0.197 -1.825 1.00 0.00 H new ATOM 0 HG2 MET A 139 6.500 0.426 -0.215 1.00 0.00 H new ATOM 0 HG3 MET A 139 7.514 -0.134 1.101 1.00 0.00 H new ATOM 0 HE1 MET A 139 10.359 2.464 1.346 1.00 0.00 H new ATOM 0 HE2 MET A 139 9.556 1.045 2.058 1.00 0.00 H new ATOM 0 HE3 MET A 139 10.430 0.892 0.516 1.00 0.00 H new ATOM 543 N LEU A 140 8.251 -3.988 0.243 1.00 0.00 N ATOM 544 CA LEU A 140 8.456 -4.828 1.435 1.00 0.00 C ATOM 545 C LEU A 140 9.857 -4.630 2.025 1.00 0.00 C ATOM 546 O LEU A 140 10.800 -4.272 1.319 1.00 0.00 O ATOM 547 CB LEU A 140 8.160 -6.311 1.151 1.00 0.00 C ATOM 548 CG LEU A 140 6.800 -6.606 0.491 1.00 0.00 C ATOM 549 CD1 LEU A 140 6.560 -8.115 0.462 1.00 0.00 C ATOM 550 CD2 LEU A 140 5.631 -5.949 1.222 1.00 0.00 C ATOM 0 H LEU A 140 8.715 -4.347 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 140 7.737 -4.502 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 140 8.948 -6.703 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 140 8.213 -6.860 2.091 1.00 0.00 H new ATOM 0 HG LEU A 140 6.845 -6.191 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 140 5.597 -8.321 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.352 -8.598 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 140 6.559 -8.503 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 140 4.699 -6.192 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 140 5.590 -6.317 2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 140 5.769 -4.868 1.230 1.00 0.00 H new ATOM 562 N MET A 141 9.986 -4.868 3.331 1.00 0.00 N ATOM 563 CA MET A 141 11.199 -4.615 4.119 1.00 0.00 C ATOM 564 C MET A 141 12.300 -5.670 3.907 1.00 0.00 C ATOM 565 O MET A 141 12.658 -6.409 4.827 1.00 0.00 O ATOM 566 CB MET A 141 10.808 -4.493 5.594 1.00 0.00 C ATOM 567 CG MET A 141 9.849 -3.338 5.892 1.00 0.00 C ATOM 568 SD MET A 141 10.514 -1.666 5.687 1.00 0.00 S ATOM 569 CE MET A 141 9.872 -1.252 4.042 1.00 0.00 C ATOM 0 H MET A 141 9.226 -5.255 3.890 1.00 0.00 H new ATOM 0 HA MET A 141 11.639 -3.680 3.771 1.00 0.00 H new ATOM 0 HB2 MET A 141 10.346 -5.427 5.915 1.00 0.00 H new ATOM 0 HB3 MET A 141 11.712 -4.363 6.189 1.00 0.00 H new ATOM 0 HG2 MET A 141 8.978 -3.441 5.244 1.00 0.00 H new ATOM 0 HG3 MET A 141 9.497 -3.442 6.918 1.00 0.00 H new ATOM 0 HE1 MET A 141 10.607 -0.653 3.505 1.00 0.00 H new ATOM 0 HE2 MET A 141 9.675 -2.169 3.487 1.00 0.00 H new ATOM 0 HE3 MET A 141 8.947 -0.685 4.145 1.00 0.00 H new ATOM 699 N HIS A 149 12.199 -10.722 3.722 1.00 0.00 N ATOM 700 CA HIS A 149 11.746 -9.468 4.354 1.00 0.00 C ATOM 701 C HIS A 149 11.344 -9.645 5.825 1.00 0.00 C ATOM 702 O HIS A 149 11.121 -10.762 6.300 1.00 0.00 O ATOM 703 CB HIS A 149 10.630 -8.823 3.513 1.00 0.00 C ATOM 704 CG HIS A 149 9.389 -9.666 3.396 1.00 0.00 C ATOM 705 ND1 HIS A 149 8.436 -9.838 4.401 1.00 0.00 N ATOM 706 CD2 HIS A 149 8.971 -10.314 2.272 1.00 0.00 C ATOM 707 CE1 HIS A 149 7.482 -10.620 3.868 1.00 0.00 C ATOM 708 NE2 HIS A 149 7.780 -10.921 2.594 1.00 0.00 N ATOM 0 HA HIS A 149 12.596 -8.786 4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 149 10.365 -7.863 3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 149 11.014 -8.619 2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 149 9.475 -10.345 1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 149 6.600 -10.959 4.391 1.00 0.00 H new ATOM 0 HE2 HIS A 149 7.218 -11.501 1.971 1.00 0.00 H new ATOM 716 N ARG A 150 11.247 -8.522 6.551 1.00 0.00 N ATOM 717 CA ARG A 150 10.896 -8.457 7.992 1.00 0.00 C ATOM 718 C ARG A 150 9.445 -8.839 8.360 1.00 0.00 C ATOM 719 O ARG A 150 9.061 -8.725 9.525 1.00 0.00 O ATOM 720 CB ARG A 150 11.251 -7.071 8.570 1.00 0.00 C ATOM 721 CG ARG A 150 12.759 -6.780 8.598 1.00 0.00 C ATOM 722 CD ARG A 150 13.072 -5.521 9.423 1.00 0.00 C ATOM 723 NE ARG A 150 12.643 -4.281 8.741 1.00 0.00 N ATOM 724 CZ ARG A 150 13.336 -3.164 8.603 1.00 0.00 C ATOM 725 NH1 ARG A 150 14.513 -2.976 9.120 1.00 0.00 N ATOM 726 NH2 ARG A 150 12.862 -2.166 7.925 1.00 0.00 N ATOM 0 H ARG A 150 11.414 -7.601 6.146 1.00 0.00 H new ATOM 0 HA ARG A 150 11.503 -9.237 8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 150 10.753 -6.303 7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 150 10.857 -6.999 9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 150 13.288 -7.634 9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 150 13.125 -6.650 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 150 12.575 -5.591 10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 150 14.144 -5.474 9.617 1.00 0.00 H new ATOM 0 HE ARG A 150 11.709 -4.289 8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 150 14.953 -3.715 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 150 14.997 -2.090 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 150 11.942 -2.236 7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 150 13.409 -1.310 7.827 1.00 0.00 H new ATOM 740 N GLY A 151 8.624 -9.263 7.401 1.00 0.00 N ATOM 741 CA GLY A 151 7.209 -9.595 7.613 1.00 0.00 C ATOM 742 C GLY A 151 6.259 -8.391 7.600 1.00 0.00 C ATOM 743 O GLY A 151 5.105 -8.507 8.020 1.00 0.00 O ATOM 0 H GLY A 151 8.926 -9.389 6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 151 6.895 -10.297 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 151 7.110 -10.109 8.569 1.00 0.00 H new ATOM 747 N PHE A 152 6.719 -7.232 7.116 1.00 0.00 N ATOM 748 CA PHE A 152 5.883 -6.044 6.929 1.00 0.00 C ATOM 749 C PHE A 152 6.386 -5.215 5.731 1.00 0.00 C ATOM 750 O PHE A 152 7.475 -5.448 5.192 1.00 0.00 O ATOM 751 CB PHE A 152 5.849 -5.210 8.225 1.00 0.00 C ATOM 752 CG PHE A 152 7.113 -4.466 8.630 1.00 0.00 C ATOM 753 CD1 PHE A 152 7.226 -3.092 8.344 1.00 0.00 C ATOM 754 CD2 PHE A 152 8.135 -5.105 9.361 1.00 0.00 C ATOM 755 CE1 PHE A 152 8.328 -2.353 8.808 1.00 0.00 C ATOM 756 CE2 PHE A 152 9.252 -4.371 9.809 1.00 0.00 C ATOM 757 CZ PHE A 152 9.343 -2.992 9.542 1.00 0.00 C ATOM 0 H PHE A 152 7.691 -7.092 6.841 1.00 0.00 H new ATOM 0 HA PHE A 152 4.863 -6.356 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 152 5.047 -4.478 8.130 1.00 0.00 H new ATOM 0 HB3 PHE A 152 5.577 -5.876 9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 152 6.459 -2.601 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 152 8.062 -6.160 9.579 1.00 0.00 H new ATOM 0 HE1 PHE A 152 8.395 -1.295 8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 152 10.039 -4.867 10.358 1.00 0.00 H new ATOM 0 HZ PHE A 152 10.190 -2.426 9.900 1.00 0.00 H new ATOM 767 N GLY A 153 5.573 -4.249 5.305 1.00 0.00 N ATOM 768 CA GLY A 153 5.871 -3.323 4.212 1.00 0.00 C ATOM 769 C GLY A 153 4.830 -2.208 4.065 1.00 0.00 C ATOM 770 O GLY A 153 3.994 -2.003 4.946 1.00 0.00 O ATOM 0 H GLY A 153 4.658 -4.084 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 153 6.851 -2.876 4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 153 5.931 -3.881 3.278 1.00 0.00 H new ATOM 774 N PHE A 154 4.881 -1.500 2.937 1.00 0.00 N ATOM 775 CA PHE A 154 3.988 -0.396 2.576 1.00 0.00 C ATOM 776 C PHE A 154 3.333 -0.511 1.191 1.00 0.00 C ATOM 777 O PHE A 154 3.902 -1.126 0.286 1.00 0.00 O ATOM 778 CB PHE A 154 4.713 0.945 2.736 1.00 0.00 C ATOM 779 CG PHE A 154 5.100 1.283 4.161 1.00 0.00 C ATOM 780 CD1 PHE A 154 4.252 2.059 4.973 1.00 0.00 C ATOM 781 CD2 PHE A 154 6.320 0.810 4.676 1.00 0.00 C ATOM 782 CE1 PHE A 154 4.636 2.377 6.287 1.00 0.00 C ATOM 783 CE2 PHE A 154 6.686 1.094 5.998 1.00 0.00 C ATOM 784 CZ PHE A 154 5.852 1.892 6.801 1.00 0.00 C ATOM 0 H PHE A 154 5.578 -1.688 2.216 1.00 0.00 H new ATOM 0 HA PHE A 154 3.154 -0.455 3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 154 5.613 0.933 2.121 1.00 0.00 H new ATOM 0 HB3 PHE A 154 4.073 1.738 2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 154 3.307 2.410 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 154 6.978 0.225 4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 154 3.997 2.994 6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 154 7.608 0.700 6.400 1.00 0.00 H new ATOM 0 HZ PHE A 154 6.145 2.132 7.812 1.00 0.00 H new ATOM 794 N VAL A 155 2.165 0.116 1.013 1.00 0.00 N ATOM 795 CA VAL A 155 1.399 0.174 -0.251 1.00 0.00 C ATOM 796 C VAL A 155 0.814 1.577 -0.472 1.00 0.00 C ATOM 797 O VAL A 155 0.342 2.203 0.477 1.00 0.00 O ATOM 798 CB VAL A 155 0.299 -0.913 -0.303 1.00 0.00 C ATOM 799 CG1 VAL A 155 -0.442 -0.949 -1.644 1.00 0.00 C ATOM 800 CG2 VAL A 155 0.850 -2.322 -0.055 1.00 0.00 C ATOM 0 H VAL A 155 1.704 0.619 1.771 1.00 0.00 H new ATOM 0 HA VAL A 155 2.091 -0.033 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.389 -0.631 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.201 -1.731 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -0.920 0.015 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 155 0.267 -1.156 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 155 0.036 -3.045 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 155 1.593 -2.561 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 155 1.314 -2.363 0.930 1.00 0.00 H new ATOM 810 N THR A 156 0.834 2.063 -1.714 1.00 0.00 N ATOM 811 CA THR A 156 0.435 3.420 -2.141 1.00 0.00 C ATOM 812 C THR A 156 -0.661 3.449 -3.206 1.00 0.00 C ATOM 813 O THR A 156 -0.592 2.681 -4.164 1.00 0.00 O ATOM 814 CB THR A 156 1.641 4.285 -2.551 1.00 0.00 C ATOM 815 OG1 THR A 156 2.770 4.033 -1.736 1.00 0.00 O ATOM 816 CG2 THR A 156 1.334 5.778 -2.485 1.00 0.00 C ATOM 0 H THR A 156 1.146 1.493 -2.500 1.00 0.00 H new ATOM 0 HA THR A 156 -0.009 3.866 -1.251 1.00 0.00 H new ATOM 0 HB THR A 156 1.858 4.007 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.516 4.598 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 156 2.216 6.344 -2.783 1.00 0.00 H new ATOM 0 HG22 THR A 156 0.509 6.010 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 156 1.057 6.048 -1.466 1.00 0.00 H new ATOM 824 N PHE A 157 -1.656 4.331 -3.084 1.00 0.00 N ATOM 825 CA PHE A 157 -2.891 4.319 -3.872 1.00 0.00 C ATOM 826 C PHE A 157 -3.097 5.445 -4.890 1.00 0.00 C ATOM 827 O PHE A 157 -2.572 6.548 -4.732 1.00 0.00 O ATOM 828 CB PHE A 157 -4.081 4.159 -2.919 1.00 0.00 C ATOM 829 CG PHE A 157 -4.187 2.778 -2.300 1.00 0.00 C ATOM 830 CD1 PHE A 157 -3.379 2.437 -1.199 1.00 0.00 C ATOM 831 CD2 PHE A 157 -5.083 1.829 -2.823 1.00 0.00 C ATOM 832 CE1 PHE A 157 -3.461 1.156 -0.633 1.00 0.00 C ATOM 833 CE2 PHE A 157 -5.179 0.553 -2.239 1.00 0.00 C ATOM 834 CZ PHE A 157 -4.364 0.213 -1.145 1.00 0.00 C ATOM 0 H PHE A 157 -1.623 5.098 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 157 -2.800 3.460 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -3.999 4.899 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 157 -5.001 4.376 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -2.694 3.164 -0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -5.698 2.080 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -2.826 0.895 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -5.881 -0.168 -2.632 1.00 0.00 H new ATOM 0 HZ PHE A 157 -4.433 -0.769 -0.701 1.00 0.00 H new ATOM 844 N GLU A 158 -3.927 5.195 -5.902 1.00 0.00 N ATOM 845 CA GLU A 158 -4.408 6.214 -6.852 1.00 0.00 C ATOM 846 C GLU A 158 -5.267 7.292 -6.167 1.00 0.00 C ATOM 847 O GLU A 158 -5.093 8.483 -6.434 1.00 0.00 O ATOM 848 CB GLU A 158 -5.186 5.517 -7.986 1.00 0.00 C ATOM 849 CG GLU A 158 -6.064 6.404 -8.892 1.00 0.00 C ATOM 850 CD GLU A 158 -5.328 7.488 -9.711 1.00 0.00 C ATOM 851 OE1 GLU A 158 -6.017 8.244 -10.439 1.00 0.00 O ATOM 852 OE2 GLU A 158 -4.079 7.592 -9.668 1.00 0.00 O ATOM 0 H GLU A 158 -4.295 4.263 -6.094 1.00 0.00 H new ATOM 0 HA GLU A 158 -3.544 6.734 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 158 -4.466 4.997 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 158 -5.825 4.756 -7.538 1.00 0.00 H new ATOM 0 HG2 GLU A 158 -6.602 5.758 -9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 158 -6.812 6.895 -8.269 1.00 0.00 H new ATOM 859 N SER A 159 -6.151 6.889 -5.247 1.00 0.00 N ATOM 860 CA SER A 159 -7.088 7.776 -4.545 1.00 0.00 C ATOM 861 C SER A 159 -7.194 7.450 -3.054 1.00 0.00 C ATOM 862 O SER A 159 -7.197 6.285 -2.650 1.00 0.00 O ATOM 863 CB SER A 159 -8.466 7.717 -5.212 1.00 0.00 C ATOM 864 OG SER A 159 -9.398 8.529 -4.515 1.00 0.00 O ATOM 0 H SER A 159 -6.237 5.913 -4.963 1.00 0.00 H new ATOM 0 HA SER A 159 -6.696 8.790 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 159 -8.389 8.050 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 159 -8.820 6.686 -5.235 1.00 0.00 H new ATOM 0 HG SER A 159 -10.271 8.479 -4.958 1.00 0.00 H new ATOM 870 N GLU A 160 -7.330 8.492 -2.231 1.00 0.00 N ATOM 871 CA GLU A 160 -7.558 8.380 -0.786 1.00 0.00 C ATOM 872 C GLU A 160 -8.891 7.673 -0.467 1.00 0.00 C ATOM 873 O GLU A 160 -9.006 7.000 0.557 1.00 0.00 O ATOM 874 CB GLU A 160 -7.521 9.795 -0.185 1.00 0.00 C ATOM 875 CG GLU A 160 -7.371 9.781 1.344 1.00 0.00 C ATOM 876 CD GLU A 160 -7.451 11.180 1.981 1.00 0.00 C ATOM 877 OE1 GLU A 160 -7.659 12.199 1.279 1.00 0.00 O ATOM 878 OE2 GLU A 160 -7.288 11.282 3.220 1.00 0.00 O ATOM 0 H GLU A 160 -7.284 9.458 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 160 -6.775 7.765 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 160 -6.692 10.351 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -8.436 10.324 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -8.150 9.150 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 160 -6.415 9.326 1.603 1.00 0.00 H new ATOM 885 N ASP A 161 -9.877 7.733 -1.370 1.00 0.00 N ATOM 886 CA ASP A 161 -11.120 6.962 -1.244 1.00 0.00 C ATOM 887 C ASP A 161 -10.927 5.437 -1.203 1.00 0.00 C ATOM 888 O ASP A 161 -11.648 4.736 -0.488 1.00 0.00 O ATOM 889 CB ASP A 161 -12.141 7.367 -2.321 1.00 0.00 C ATOM 890 CG ASP A 161 -12.808 8.742 -2.115 1.00 0.00 C ATOM 891 OD1 ASP A 161 -13.541 9.182 -3.034 1.00 0.00 O ATOM 892 OD2 ASP A 161 -12.644 9.383 -1.049 1.00 0.00 O ATOM 0 H ASP A 161 -9.836 8.316 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 161 -11.518 7.224 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -11.642 7.366 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.921 6.606 -2.363 1.00 0.00 H new ATOM 897 N ILE A 162 -9.912 4.923 -1.913 1.00 0.00 N ATOM 898 CA ILE A 162 -9.512 3.514 -1.811 1.00 0.00 C ATOM 899 C ILE A 162 -8.791 3.260 -0.489 1.00 0.00 C ATOM 900 O ILE A 162 -9.088 2.273 0.173 1.00 0.00 O ATOM 901 CB ILE A 162 -8.632 3.051 -2.990 1.00 0.00 C ATOM 902 CG1 ILE A 162 -9.134 3.497 -4.371 1.00 0.00 C ATOM 903 CG2 ILE A 162 -8.502 1.519 -2.971 1.00 0.00 C ATOM 904 CD1 ILE A 162 -10.606 3.178 -4.674 1.00 0.00 C ATOM 0 H ILE A 162 -9.351 5.467 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 162 -10.429 2.927 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 162 -7.665 3.533 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 162 -8.988 4.573 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 162 -8.514 3.026 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 162 -7.880 1.196 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 162 -8.044 1.204 -2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 162 -9.491 1.069 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 162 -10.857 3.535 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 162 -10.763 2.101 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 162 -11.244 3.672 -3.941 1.00 0.00 H new ATOM 916 N VAL A 163 -7.901 4.160 -0.056 1.00 0.00 N ATOM 917 CA VAL A 163 -7.195 4.015 1.231 1.00 0.00 C ATOM 918 C VAL A 163 -8.195 3.876 2.385 1.00 0.00 C ATOM 919 O VAL A 163 -8.039 2.991 3.222 1.00 0.00 O ATOM 920 CB VAL A 163 -6.246 5.202 1.504 1.00 0.00 C ATOM 921 CG1 VAL A 163 -5.513 5.078 2.846 1.00 0.00 C ATOM 922 CG2 VAL A 163 -5.195 5.339 0.402 1.00 0.00 C ATOM 0 H VAL A 163 -7.649 5.000 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 163 -6.593 3.109 1.165 1.00 0.00 H new ATOM 0 HB VAL A 163 -6.885 6.084 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -4.860 5.940 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -6.241 5.040 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -4.916 4.166 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -4.543 6.184 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -4.601 4.426 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -5.690 5.505 -0.555 1.00 0.00 H new ATOM 932 N GLU A 164 -9.261 4.685 2.402 1.00 0.00 N ATOM 933 CA GLU A 164 -10.359 4.558 3.374 1.00 0.00 C ATOM 934 C GLU A 164 -11.112 3.221 3.253 1.00 0.00 C ATOM 935 O GLU A 164 -11.296 2.531 4.257 1.00 0.00 O ATOM 936 CB GLU A 164 -11.347 5.731 3.227 1.00 0.00 C ATOM 937 CG GLU A 164 -10.783 7.116 3.589 1.00 0.00 C ATOM 938 CD GLU A 164 -10.411 7.302 5.074 1.00 0.00 C ATOM 939 OE1 GLU A 164 -9.847 8.365 5.425 1.00 0.00 O ATOM 940 OE2 GLU A 164 -10.645 6.405 5.919 1.00 0.00 O ATOM 0 H GLU A 164 -9.389 5.450 1.740 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.903 4.583 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.701 5.759 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -12.215 5.535 3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.896 7.300 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -11.518 7.873 3.317 1.00 0.00 H new ATOM 947 N LYS A 165 -11.499 2.817 2.032 1.00 0.00 N ATOM 948 CA LYS A 165 -12.200 1.547 1.748 1.00 0.00 C ATOM 949 C LYS A 165 -11.414 0.324 2.240 1.00 0.00 C ATOM 950 O LYS A 165 -11.965 -0.551 2.906 1.00 0.00 O ATOM 951 CB LYS A 165 -12.464 1.470 0.233 1.00 0.00 C ATOM 952 CG LYS A 165 -13.292 0.243 -0.181 1.00 0.00 C ATOM 953 CD LYS A 165 -13.401 0.110 -1.709 1.00 0.00 C ATOM 954 CE LYS A 165 -14.058 1.298 -2.431 1.00 0.00 C ATOM 955 NZ LYS A 165 -15.490 1.469 -2.062 1.00 0.00 N ATOM 0 H LYS A 165 -11.331 3.374 1.194 1.00 0.00 H new ATOM 0 HA LYS A 165 -13.144 1.533 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -12.984 2.374 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -11.510 1.450 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -12.835 -0.658 0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -14.291 0.318 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -12.400 -0.032 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 165 -13.969 -0.792 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -13.513 2.211 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -13.979 1.153 -3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -15.886 2.282 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -16.019 0.610 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -15.567 1.635 -1.038 1.00 0.00 H new ATOM 969 N VAL A 166 -10.120 0.293 1.932 1.00 0.00 N ATOM 970 CA VAL A 166 -9.169 -0.758 2.325 1.00 0.00 C ATOM 971 C VAL A 166 -8.943 -0.742 3.841 1.00 0.00 C ATOM 972 O VAL A 166 -9.039 -1.785 4.488 1.00 0.00 O ATOM 973 CB VAL A 166 -7.832 -0.555 1.585 1.00 0.00 C ATOM 974 CG1 VAL A 166 -6.777 -1.579 2.006 1.00 0.00 C ATOM 975 CG2 VAL A 166 -7.985 -0.661 0.062 1.00 0.00 C ATOM 0 H VAL A 166 -9.681 1.028 1.378 1.00 0.00 H new ATOM 0 HA VAL A 166 -9.586 -1.727 2.051 1.00 0.00 H new ATOM 0 HB VAL A 166 -7.512 0.450 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 166 -5.853 -1.396 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 166 -6.589 -1.488 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 166 -7.137 -2.584 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -7.015 -0.511 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -8.367 -1.648 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -8.682 0.101 -0.288 1.00 0.00 H new ATOM 985 N CYS A 167 -8.671 0.427 4.426 1.00 0.00 N ATOM 986 CA CYS A 167 -8.356 0.553 5.852 1.00 0.00 C ATOM 987 C CYS A 167 -9.548 0.182 6.761 1.00 0.00 C ATOM 988 O CYS A 167 -9.356 -0.438 7.808 1.00 0.00 O ATOM 989 CB CYS A 167 -7.850 1.979 6.114 1.00 0.00 C ATOM 990 SG CYS A 167 -7.364 2.191 7.852 1.00 0.00 S ATOM 0 H CYS A 167 -8.663 1.315 3.924 1.00 0.00 H new ATOM 0 HA CYS A 167 -7.575 -0.163 6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -6.999 2.191 5.467 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -8.630 2.697 5.861 1.00 0.00 H new ATOM 0 HG CYS A 167 -7.943 1.282 8.579 1.00 0.00 H new ATOM 996 N GLU A 168 -10.784 0.478 6.346 1.00 0.00 N ATOM 997 CA GLU A 168 -12.015 0.121 7.053 1.00 0.00 C ATOM 998 C GLU A 168 -12.221 -1.401 7.208 1.00 0.00 C ATOM 999 O GLU A 168 -12.845 -1.847 8.174 1.00 0.00 O ATOM 1000 CB GLU A 168 -13.157 0.796 6.275 1.00 0.00 C ATOM 1001 CG GLU A 168 -14.584 0.393 6.646 1.00 0.00 C ATOM 1002 CD GLU A 168 -15.038 0.779 8.071 1.00 0.00 C ATOM 1003 OE1 GLU A 168 -16.188 0.432 8.441 1.00 0.00 O ATOM 1004 OE2 GLU A 168 -14.289 1.448 8.825 1.00 0.00 O ATOM 0 H GLU A 168 -10.959 0.989 5.481 1.00 0.00 H new ATOM 0 HA GLU A 168 -11.974 0.473 8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.065 1.874 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.012 0.590 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -15.269 0.848 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -14.678 -0.687 6.534 1.00 0.00 H new ATOM 1011 N ILE A 169 -11.669 -2.210 6.294 1.00 0.00 N ATOM 1012 CA ILE A 169 -11.680 -3.683 6.374 1.00 0.00 C ATOM 1013 C ILE A 169 -10.739 -4.191 7.484 1.00 0.00 C ATOM 1014 O ILE A 169 -11.054 -5.179 8.151 1.00 0.00 O ATOM 1015 CB ILE A 169 -11.334 -4.280 4.990 1.00 0.00 C ATOM 1016 CG1 ILE A 169 -12.449 -3.937 3.972 1.00 0.00 C ATOM 1017 CG2 ILE A 169 -11.129 -5.803 5.038 1.00 0.00 C ATOM 1018 CD1 ILE A 169 -12.014 -4.072 2.511 1.00 0.00 C ATOM 0 H ILE A 169 -11.194 -1.857 5.463 1.00 0.00 H new ATOM 0 HA ILE A 169 -12.680 -4.019 6.646 1.00 0.00 H new ATOM 0 HB ILE A 169 -10.390 -3.834 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 169 -13.303 -4.591 4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 169 -12.787 -2.916 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 169 -10.889 -6.169 4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 169 -10.310 -6.039 5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 169 -12.043 -6.282 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 169 -12.848 -3.815 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 169 -11.180 -3.398 2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 169 -11.704 -5.099 2.317 1.00 0.00 H new ATOM 1030 N HIS A 170 -9.628 -3.479 7.720 1.00 0.00 N ATOM 1031 CA HIS A 170 -8.598 -3.684 8.760 1.00 0.00 C ATOM 1032 C HIS A 170 -7.778 -4.980 8.628 1.00 0.00 C ATOM 1033 O HIS A 170 -6.549 -4.926 8.568 1.00 0.00 O ATOM 1034 CB HIS A 170 -9.219 -3.497 10.158 1.00 0.00 C ATOM 1035 CG HIS A 170 -8.245 -3.373 11.311 1.00 0.00 C ATOM 1036 ND1 HIS A 170 -8.594 -3.471 12.663 1.00 0.00 N ATOM 1037 CD2 HIS A 170 -6.902 -3.137 11.229 1.00 0.00 C ATOM 1038 CE1 HIS A 170 -7.453 -3.307 13.357 1.00 0.00 C ATOM 1039 NE2 HIS A 170 -6.423 -3.109 12.518 1.00 0.00 N ATOM 0 H HIS A 170 -9.403 -2.672 7.138 1.00 0.00 H new ATOM 0 HA HIS A 170 -7.845 -2.911 8.604 1.00 0.00 H new ATOM 0 HB2 HIS A 170 -9.843 -2.603 10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 170 -9.878 -4.342 10.356 1.00 0.00 H new ATOM 0 HD2 HIS A 170 -6.327 -2.999 10.325 1.00 0.00 H new ATOM 0 HE1 HIS A 170 -7.376 -3.331 14.434 1.00 0.00 H new ATOM 0 HE2 HIS A 170 -5.451 -2.963 12.790 1.00 0.00 H new ATOM 1047 N PHE A 171 -8.440 -6.132 8.532 1.00 0.00 N ATOM 1048 CA PHE A 171 -7.842 -7.451 8.310 1.00 0.00 C ATOM 1049 C PHE A 171 -8.069 -8.060 6.919 1.00 0.00 C ATOM 1050 O PHE A 171 -9.211 -8.243 6.499 1.00 0.00 O ATOM 1051 CB PHE A 171 -8.118 -8.399 9.482 1.00 0.00 C ATOM 1052 CG PHE A 171 -7.244 -8.138 10.696 1.00 0.00 C ATOM 1053 CD1 PHE A 171 -6.033 -8.840 10.856 1.00 0.00 C ATOM 1054 CD2 PHE A 171 -7.630 -7.185 11.658 1.00 0.00 C ATOM 1055 CE1 PHE A 171 -5.220 -8.598 11.977 1.00 0.00 C ATOM 1056 CE2 PHE A 171 -6.811 -6.937 12.775 1.00 0.00 C ATOM 1057 CZ PHE A 171 -5.606 -7.644 12.934 1.00 0.00 C ATOM 0 H PHE A 171 -9.456 -6.175 8.610 1.00 0.00 H new ATOM 0 HA PHE A 171 -6.765 -7.283 8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -9.165 -8.308 9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -7.967 -9.426 9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -5.729 -9.565 10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -8.557 -6.643 11.538 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -4.298 -9.146 12.103 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -7.108 -6.204 13.510 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.977 -7.454 13.791 1.00 0.00 H new ATOM 1067 N HIS A 172 -6.984 -8.376 6.207 1.00 0.00 N ATOM 1068 CA HIS A 172 -6.980 -8.762 4.789 1.00 0.00 C ATOM 1069 C HIS A 172 -6.326 -10.128 4.552 1.00 0.00 C ATOM 1070 O HIS A 172 -5.431 -10.538 5.290 1.00 0.00 O ATOM 1071 CB HIS A 172 -6.282 -7.669 3.966 1.00 0.00 C ATOM 1072 CG HIS A 172 -7.081 -6.397 3.809 1.00 0.00 C ATOM 1073 ND1 HIS A 172 -7.865 -6.069 2.699 1.00 0.00 N ATOM 1074 CD2 HIS A 172 -7.130 -5.365 4.700 1.00 0.00 C ATOM 1075 CE1 HIS A 172 -8.340 -4.834 2.939 1.00 0.00 C ATOM 1076 NE2 HIS A 172 -7.907 -4.388 4.127 1.00 0.00 N ATOM 0 H HIS A 172 -6.049 -8.371 6.615 1.00 0.00 H new ATOM 0 HA HIS A 172 -8.016 -8.860 4.465 1.00 0.00 H new ATOM 0 HB2 HIS A 172 -5.329 -7.429 4.438 1.00 0.00 H new ATOM 0 HB3 HIS A 172 -6.056 -8.066 2.976 1.00 0.00 H new ATOM 0 HD2 HIS A 172 -6.651 -5.324 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 172 -8.980 -4.279 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 172 -8.119 -3.478 4.536 1.00 0.00 H new ATOM 1084 N GLU A 173 -6.758 -10.834 3.509 1.00 0.00 N ATOM 1085 CA GLU A 173 -6.201 -12.132 3.109 1.00 0.00 C ATOM 1086 C GLU A 173 -5.249 -11.975 1.909 1.00 0.00 C ATOM 1087 O GLU A 173 -5.641 -11.415 0.884 1.00 0.00 O ATOM 1088 CB GLU A 173 -7.360 -13.101 2.830 1.00 0.00 C ATOM 1089 CG GLU A 173 -6.900 -14.543 2.560 1.00 0.00 C ATOM 1090 CD GLU A 173 -8.075 -15.544 2.444 1.00 0.00 C ATOM 1091 OE1 GLU A 173 -9.265 -15.141 2.454 1.00 0.00 O ATOM 1092 OE2 GLU A 173 -7.807 -16.765 2.344 1.00 0.00 O ATOM 0 H GLU A 173 -7.517 -10.518 2.906 1.00 0.00 H new ATOM 0 HA GLU A 173 -5.597 -12.548 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -8.039 -13.098 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -7.926 -12.741 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -6.319 -14.566 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -6.236 -14.863 3.363 1.00 0.00 H new ATOM 1099 N ILE A 174 -4.009 -12.469 2.029 1.00 0.00 N ATOM 1100 CA ILE A 174 -2.952 -12.408 0.998 1.00 0.00 C ATOM 1101 C ILE A 174 -2.228 -13.756 0.953 1.00 0.00 C ATOM 1102 O ILE A 174 -1.761 -14.236 1.985 1.00 0.00 O ATOM 1103 CB ILE A 174 -1.954 -11.249 1.267 1.00 0.00 C ATOM 1104 CG1 ILE A 174 -2.701 -9.899 1.371 1.00 0.00 C ATOM 1105 CG2 ILE A 174 -0.863 -11.221 0.175 1.00 0.00 C ATOM 1106 CD1 ILE A 174 -1.827 -8.640 1.334 1.00 0.00 C ATOM 0 H ILE A 174 -3.698 -12.941 2.878 1.00 0.00 H new ATOM 0 HA ILE A 174 -3.412 -12.206 0.031 1.00 0.00 H new ATOM 0 HB ILE A 174 -1.461 -11.419 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -3.421 -9.841 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -3.272 -9.893 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -0.169 -10.404 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -0.321 -12.167 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -1.328 -11.072 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -2.459 -7.756 1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -1.124 -8.660 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -1.275 -8.608 0.394 1.00 0.00 H new ATOM 1118 N ASN A 175 -2.145 -14.389 -0.224 1.00 0.00 N ATOM 1119 CA ASN A 175 -1.598 -15.748 -0.403 1.00 0.00 C ATOM 1120 C ASN A 175 -2.204 -16.791 0.572 1.00 0.00 C ATOM 1121 O ASN A 175 -1.507 -17.662 1.097 1.00 0.00 O ATOM 1122 CB ASN A 175 -0.056 -15.710 -0.399 1.00 0.00 C ATOM 1123 CG ASN A 175 0.556 -15.003 -1.596 1.00 0.00 C ATOM 1124 OD1 ASN A 175 0.068 -15.052 -2.717 1.00 0.00 O ATOM 1125 ND2 ASN A 175 1.693 -14.387 -1.397 1.00 0.00 N ATOM 0 H ASN A 175 -2.461 -13.967 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 175 -1.909 -16.104 -1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.281 -15.215 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 175 0.321 -16.732 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 175 2.177 -13.945 -2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 175 2.095 -14.349 -0.461 1.00 0.00 H new ATOM 1132 N ASN A 176 -3.505 -16.660 0.858 1.00 0.00 N ATOM 1133 CA ASN A 176 -4.270 -17.405 1.873 1.00 0.00 C ATOM 1134 C ASN A 176 -3.811 -17.218 3.344 1.00 0.00 C ATOM 1135 O ASN A 176 -4.327 -17.892 4.239 1.00 0.00 O ATOM 1136 CB ASN A 176 -4.437 -18.884 1.456 1.00 0.00 C ATOM 1137 CG ASN A 176 -5.112 -19.099 0.107 1.00 0.00 C ATOM 1138 OD1 ASN A 176 -5.769 -18.236 -0.462 1.00 0.00 O ATOM 1139 ND2 ASN A 176 -4.996 -20.287 -0.445 1.00 0.00 N ATOM 0 H ASN A 176 -4.090 -15.991 0.358 1.00 0.00 H new ATOM 0 HA ASN A 176 -5.257 -16.943 1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 176 -3.453 -19.353 1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 176 -5.017 -19.399 2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 176 -5.450 -20.481 -1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 176 -4.452 -21.014 0.019 1.00 0.00 H new ATOM 1146 N LYS A 177 -2.868 -16.303 3.620 1.00 0.00 N ATOM 1147 CA LYS A 177 -2.447 -15.874 4.969 1.00 0.00 C ATOM 1148 C LYS A 177 -3.186 -14.606 5.409 1.00 0.00 C ATOM 1149 O LYS A 177 -3.757 -13.886 4.591 1.00 0.00 O ATOM 1150 CB LYS A 177 -0.923 -15.643 5.023 1.00 0.00 C ATOM 1151 CG LYS A 177 -0.058 -16.787 4.474 1.00 0.00 C ATOM 1152 CD LYS A 177 -0.356 -18.163 5.088 1.00 0.00 C ATOM 1153 CE LYS A 177 0.595 -19.211 4.497 1.00 0.00 C ATOM 1154 NZ LYS A 177 0.293 -20.576 5.002 1.00 0.00 N ATOM 0 H LYS A 177 -2.356 -15.821 2.882 1.00 0.00 H new ATOM 0 HA LYS A 177 -2.705 -16.677 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 177 -0.691 -14.736 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 177 -0.638 -15.461 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 177 -0.199 -16.847 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 177 0.991 -16.546 4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 177 -0.239 -18.122 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 177 -1.390 -18.444 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 177 0.518 -19.200 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 177 1.624 -18.950 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 0.956 -21.257 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 0.391 -20.593 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 -0.680 -20.835 4.742 1.00 0.00 H new ATOM 1168 N MET A 178 -3.155 -14.331 6.711 1.00 0.00 N ATOM 1169 CA MET A 178 -3.803 -13.183 7.351 1.00 0.00 C ATOM 1170 C MET A 178 -2.816 -12.014 7.520 1.00 0.00 C ATOM 1171 O MET A 178 -1.736 -12.197 8.084 1.00 0.00 O ATOM 1172 CB MET A 178 -4.367 -13.660 8.702 1.00 0.00 C ATOM 1173 CG MET A 178 -5.044 -12.584 9.561 1.00 0.00 C ATOM 1174 SD MET A 178 -6.849 -12.425 9.398 1.00 0.00 S ATOM 1175 CE MET A 178 -7.014 -11.705 7.744 1.00 0.00 C ATOM 0 H MET A 178 -2.659 -14.923 7.377 1.00 0.00 H new ATOM 0 HA MET A 178 -4.614 -12.806 6.728 1.00 0.00 H new ATOM 0 HB2 MET A 178 -5.089 -14.454 8.513 1.00 0.00 H new ATOM 0 HB3 MET A 178 -3.553 -14.100 9.279 1.00 0.00 H new ATOM 0 HG2 MET A 178 -4.813 -12.788 10.607 1.00 0.00 H new ATOM 0 HG3 MET A 178 -4.594 -11.621 9.318 1.00 0.00 H new ATOM 0 HE1 MET A 178 -8.005 -11.264 7.636 1.00 0.00 H new ATOM 0 HE2 MET A 178 -6.256 -10.934 7.606 1.00 0.00 H new ATOM 0 HE3 MET A 178 -6.880 -12.484 6.993 1.00 0.00 H new ATOM 1185 N VAL A 179 -3.207 -10.814 7.084 1.00 0.00 N ATOM 1186 CA VAL A 179 -2.471 -9.549 7.275 1.00 0.00 C ATOM 1187 C VAL A 179 -3.343 -8.425 7.829 1.00 0.00 C ATOM 1188 O VAL A 179 -4.572 -8.496 7.803 1.00 0.00 O ATOM 1189 CB VAL A 179 -1.702 -9.087 6.016 1.00 0.00 C ATOM 1190 CG1 VAL A 179 -0.918 -10.217 5.355 1.00 0.00 C ATOM 1191 CG2 VAL A 179 -2.589 -8.418 4.960 1.00 0.00 C ATOM 0 H VAL A 179 -4.077 -10.685 6.568 1.00 0.00 H new ATOM 0 HA VAL A 179 -1.724 -9.781 8.034 1.00 0.00 H new ATOM 0 HB VAL A 179 -1.005 -8.340 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -0.398 -9.834 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -0.191 -10.617 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -1.604 -11.008 5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -1.979 -8.121 4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -3.356 -9.120 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -3.065 -7.536 5.390 1.00 0.00 H new ATOM 1201 N GLU A 180 -2.696 -7.359 8.295 1.00 0.00 N ATOM 1202 CA GLU A 180 -3.352 -6.155 8.821 1.00 0.00 C ATOM 1203 C GLU A 180 -2.906 -4.888 8.070 1.00 0.00 C ATOM 1204 O GLU A 180 -1.703 -4.650 7.931 1.00 0.00 O ATOM 1205 CB GLU A 180 -3.050 -6.041 10.322 1.00 0.00 C ATOM 1206 CG GLU A 180 -3.844 -4.911 10.994 1.00 0.00 C ATOM 1207 CD GLU A 180 -3.358 -4.584 12.415 1.00 0.00 C ATOM 1208 OE1 GLU A 180 -2.625 -5.385 13.038 1.00 0.00 O ATOM 1209 OE2 GLU A 180 -3.653 -3.466 12.901 1.00 0.00 O ATOM 0 H GLU A 180 -1.678 -7.303 8.320 1.00 0.00 H new ATOM 0 HA GLU A 180 -4.428 -6.245 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -3.285 -6.987 10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -1.983 -5.866 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -3.775 -4.014 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -4.897 -5.191 11.034 1.00 0.00 H new ATOM 1216 N CYS A 181 -3.858 -4.061 7.622 1.00 0.00 N ATOM 1217 CA CYS A 181 -3.596 -2.713 7.102 1.00 0.00 C ATOM 1218 C CYS A 181 -3.688 -1.641 8.208 1.00 0.00 C ATOM 1219 O CYS A 181 -4.562 -1.706 9.078 1.00 0.00 O ATOM 1220 CB CYS A 181 -4.529 -2.377 5.926 1.00 0.00 C ATOM 1221 SG CYS A 181 -6.272 -2.473 6.409 1.00 0.00 S ATOM 0 H CYS A 181 -4.846 -4.313 7.610 1.00 0.00 H new ATOM 0 HA CYS A 181 -2.571 -2.707 6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 181 -4.307 -1.375 5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 181 -4.340 -3.066 5.103 1.00 0.00 H new ATOM 0 HG CYS A 181 -7.019 -2.092 5.416 1.00 0.00 H new ATOM 1227 N LYS A 182 -2.843 -0.607 8.135 1.00 0.00 N ATOM 1228 CA LYS A 182 -2.914 0.608 8.978 1.00 0.00 C ATOM 1229 C LYS A 182 -2.593 1.826 8.107 1.00 0.00 C ATOM 1230 O LYS A 182 -1.789 1.706 7.186 1.00 0.00 O ATOM 1231 CB LYS A 182 -1.920 0.544 10.163 1.00 0.00 C ATOM 1232 CG LYS A 182 -1.741 -0.813 10.873 1.00 0.00 C ATOM 1233 CD LYS A 182 -0.570 -0.724 11.867 1.00 0.00 C ATOM 1234 CE LYS A 182 -0.134 -2.092 12.402 1.00 0.00 C ATOM 1235 NZ LYS A 182 -1.051 -2.636 13.435 1.00 0.00 N ATOM 0 H LYS A 182 -2.068 -0.584 7.473 1.00 0.00 H new ATOM 0 HA LYS A 182 -3.919 0.682 9.394 1.00 0.00 H new ATOM 0 HB2 LYS A 182 -0.943 0.864 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 182 -2.238 1.273 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 182 -2.657 -1.084 11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 182 -1.550 -1.596 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 182 0.278 -0.244 11.379 1.00 0.00 H new ATOM 0 HD3 LYS A 182 -0.858 -0.088 12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 182 -0.073 -2.797 11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 182 0.868 -2.008 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 -0.802 -3.626 13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 -0.964 -2.075 14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 -2.031 -2.588 13.089 1.00 0.00 H new ATOM 1249 N LYS A 183 -3.142 3.011 8.388 1.00 0.00 N ATOM 1250 CA LYS A 183 -2.710 4.254 7.709 1.00 0.00 C ATOM 1251 C LYS A 183 -1.250 4.582 8.053 1.00 0.00 C ATOM 1252 O LYS A 183 -0.864 4.527 9.224 1.00 0.00 O ATOM 1253 CB LYS A 183 -3.664 5.415 8.036 1.00 0.00 C ATOM 1254 CG LYS A 183 -5.000 5.251 7.293 1.00 0.00 C ATOM 1255 CD LYS A 183 -6.074 6.200 7.840 1.00 0.00 C ATOM 1256 CE LYS A 183 -7.404 5.937 7.123 1.00 0.00 C ATOM 1257 NZ LYS A 183 -8.498 6.780 7.666 1.00 0.00 N ATOM 0 H LYS A 183 -3.883 3.145 9.076 1.00 0.00 H new ATOM 0 HA LYS A 183 -2.757 4.099 6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -3.843 5.453 9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 183 -3.201 6.361 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 183 -4.851 5.443 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -5.344 4.221 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -6.192 6.052 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -5.768 7.236 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 183 -7.288 6.134 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 183 -7.671 4.885 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 -9.397 6.514 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 -8.570 6.636 8.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 -8.295 7.781 7.470 1.00 0.00 H new ATOM 1271 N ALA A 184 -0.426 4.873 7.046 1.00 0.00 N ATOM 1272 CA ALA A 184 1.005 5.108 7.243 1.00 0.00 C ATOM 1273 C ALA A 184 1.299 6.492 7.851 1.00 0.00 C ATOM 1274 O ALA A 184 0.588 7.469 7.597 1.00 0.00 O ATOM 1275 CB ALA A 184 1.747 4.911 5.917 1.00 0.00 C ATOM 0 H ALA A 184 -0.729 4.952 6.075 1.00 0.00 H new ATOM 0 HA ALA A 184 1.367 4.378 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 184 2.812 5.087 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 184 1.594 3.892 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 184 1.364 5.614 5.178 1.00 0.00 H new