USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 177 LYS NZ :NH3+ -117:sc=-0.00268 (180deg=-0.0473) USER MOD Set 1.2: A 178 MET CE :methyl -173:sc= -0.0273 (180deg=-0.107) USER MOD Set 2.1: A 172 HIS : no HE2:sc= -8.8! C(o=-11!,f=-8.4!) USER MOD Set 2.2: A 181 CYS SG : rot -124:sc= -2.65! USER MOD Set 3.1: A 165 LYS NZ :NH3+ -141:sc= -0.0802 (180deg=0) USER MOD Set 3.2: A 170 HIS : no HD1:sc= -0.865 X(o=-0.95,f=-0.51) USER MOD Set 4.1: A 119 ASN : amide:sc= -6.6! C(o=-15!,f=-12!) USER MOD Set 4.2: A 120 THR OG1 : rot -111:sc= 0.0686 USER MOD Set 4.3: A 175 ASN : amide:sc= -6.18! C(o=-15!,f=-12!) USER MOD Set 4.4: A 176 ASN : amide:sc= -1.85 K(o=-15,f=-12) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= -0.397 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HE2:sc= -7.61! C(o=-7.6!,f=-15!) USER MOD Single : A 128 TYR OH : rot -141:sc= 1.11! USER MOD Single : A 131 GLN : amide:sc= -0.953 K(o=-0.95,f=-2!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -5.38! C(o=-5.4!,f=-4.8!) USER MOD Single : A 149 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 156 THR OG1 : rot 100:sc= -5.08! USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 167 CYS SG : rot -170:sc= -2.14! USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 110 61.064 2.289 8.854 1.00 0.00 N ATOM 2 CA LYS A 110 61.815 2.509 7.583 1.00 0.00 C ATOM 3 C LYS A 110 62.239 1.165 6.983 1.00 0.00 C ATOM 4 O LYS A 110 61.838 0.116 7.449 1.00 0.00 O ATOM 5 CB LYS A 110 63.039 3.332 7.981 1.00 0.00 C ATOM 6 CG LYS A 110 63.804 2.607 9.087 1.00 0.00 C ATOM 7 CD LYS A 110 63.666 3.385 10.395 1.00 0.00 C ATOM 8 CE LYS A 110 64.803 2.998 11.344 1.00 0.00 C ATOM 9 NZ LYS A 110 65.163 4.261 12.045 1.00 0.00 N ATOM 0 HA LYS A 110 61.214 3.018 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 110 63.685 3.483 7.116 1.00 0.00 H new ATOM 0 HB3 LYS A 110 62.730 4.319 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 110 63.416 1.596 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 110 64.856 2.514 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 110 63.692 4.457 10.197 1.00 0.00 H new ATOM 0 HD3 LYS A 110 62.703 3.170 10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 110 64.485 2.231 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 110 65.654 2.593 10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 65.937 4.078 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 65.468 4.970 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 64.335 4.619 12.563 1.00 0.00 H new ATOM 23 N ILE A 111 63.040 1.182 5.949 1.00 0.00 N ATOM 24 CA ILE A 111 63.472 -0.101 5.325 1.00 0.00 C ATOM 25 C ILE A 111 64.981 -0.098 5.070 1.00 0.00 C ATOM 26 O ILE A 111 65.658 0.894 5.268 1.00 0.00 O ATOM 27 CB ILE A 111 62.721 -0.155 4.003 1.00 0.00 C ATOM 28 CG1 ILE A 111 63.203 0.987 3.106 1.00 0.00 C ATOM 29 CG2 ILE A 111 61.222 -0.007 4.264 1.00 0.00 C ATOM 30 CD1 ILE A 111 63.563 0.438 1.723 1.00 0.00 C ATOM 0 H ILE A 111 63.411 2.026 5.512 1.00 0.00 H new ATOM 0 HA ILE A 111 63.262 -0.958 5.964 1.00 0.00 H new ATOM 0 HB ILE A 111 62.908 -1.109 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 111 62.425 1.745 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 111 64.071 1.472 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 111 60.682 -0.045 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 111 60.883 -0.818 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 111 61.030 0.948 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 111 63.906 1.253 1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 111 64.355 -0.304 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 111 62.684 -0.027 1.276 1.00 0.00 H new ATOM 42 N PHE A 112 65.506 -1.201 4.616 1.00 0.00 N ATOM 43 CA PHE A 112 66.963 -1.283 4.330 1.00 0.00 C ATOM 44 C PHE A 112 67.178 -2.039 3.018 1.00 0.00 C ATOM 45 O PHE A 112 66.444 -2.952 2.693 1.00 0.00 O ATOM 46 CB PHE A 112 67.557 -2.058 5.509 1.00 0.00 C ATOM 47 CG PHE A 112 68.926 -2.576 5.138 1.00 0.00 C ATOM 48 CD1 PHE A 112 70.061 -1.789 5.373 1.00 0.00 C ATOM 49 CD2 PHE A 112 69.062 -3.844 4.561 1.00 0.00 C ATOM 50 CE1 PHE A 112 71.330 -2.271 5.030 1.00 0.00 C ATOM 51 CE2 PHE A 112 70.331 -4.325 4.218 1.00 0.00 C ATOM 52 CZ PHE A 112 71.465 -3.539 4.453 1.00 0.00 C ATOM 0 H PHE A 112 64.982 -2.056 4.430 1.00 0.00 H new ATOM 0 HA PHE A 112 67.430 -0.304 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 112 67.627 -1.411 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 112 66.904 -2.888 5.777 1.00 0.00 H new ATOM 0 HD1 PHE A 112 69.957 -0.811 5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 112 68.188 -4.451 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 112 72.205 -1.664 5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 112 70.435 -5.303 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 112 72.444 -3.911 4.189 1.00 0.00 H new ATOM 62 N VAL A 113 68.167 -1.666 2.260 1.00 0.00 N ATOM 63 CA VAL A 113 68.413 -2.368 0.968 1.00 0.00 C ATOM 64 C VAL A 113 69.882 -2.775 0.856 1.00 0.00 C ATOM 65 O VAL A 113 70.761 -2.110 1.367 1.00 0.00 O ATOM 66 CB VAL A 113 68.045 -1.363 -0.132 1.00 0.00 C ATOM 67 CG1 VAL A 113 66.558 -1.501 -0.466 1.00 0.00 C ATOM 68 CG2 VAL A 113 68.325 0.070 0.337 1.00 0.00 C ATOM 0 H VAL A 113 68.815 -0.908 2.476 1.00 0.00 H new ATOM 0 HA VAL A 113 67.822 -3.280 0.887 1.00 0.00 H new ATOM 0 HB VAL A 113 68.648 -1.571 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 113 66.293 -0.789 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 113 66.356 -2.514 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 113 65.965 -1.299 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 113 68.059 0.770 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 113 67.732 0.284 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 113 69.384 0.175 0.573 1.00 0.00 H new ATOM 78 N GLY A 114 70.155 -3.864 0.191 1.00 0.00 N ATOM 79 CA GLY A 114 71.570 -4.312 0.051 1.00 0.00 C ATOM 80 C GLY A 114 71.810 -4.832 -1.367 1.00 0.00 C ATOM 81 O GLY A 114 70.886 -5.078 -2.116 1.00 0.00 O ATOM 0 H GLY A 114 69.462 -4.461 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 114 72.246 -3.484 0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 114 71.787 -5.095 0.777 1.00 0.00 H new ATOM 85 N GLY A 115 73.050 -5.001 -1.742 1.00 0.00 N ATOM 86 CA GLY A 115 73.355 -5.506 -3.110 1.00 0.00 C ATOM 87 C GLY A 115 73.404 -4.331 -4.086 1.00 0.00 C ATOM 88 O GLY A 115 73.871 -4.458 -5.200 1.00 0.00 O ATOM 0 H GLY A 115 73.865 -4.811 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 115 74.309 -6.033 -3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 115 72.595 -6.222 -3.423 1.00 0.00 H new ATOM 92 N LEU A 116 72.926 -3.189 -3.678 1.00 0.00 N ATOM 93 CA LEU A 116 72.942 -2.007 -4.590 1.00 0.00 C ATOM 94 C LEU A 116 74.356 -1.749 -5.114 1.00 0.00 C ATOM 95 O LEU A 116 75.159 -1.110 -4.464 1.00 0.00 O ATOM 96 CB LEU A 116 72.483 -0.818 -3.741 1.00 0.00 C ATOM 97 CG LEU A 116 71.266 -1.207 -2.904 1.00 0.00 C ATOM 98 CD1 LEU A 116 71.646 -1.178 -1.424 1.00 0.00 C ATOM 99 CD2 LEU A 116 70.134 -0.210 -3.159 1.00 0.00 C ATOM 0 H LEU A 116 72.525 -3.021 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 116 72.297 -2.168 -5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 116 73.293 -0.493 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 116 72.236 0.025 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 116 70.935 -2.209 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 116 70.781 -1.455 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 116 72.456 -1.884 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 116 71.972 -0.174 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 116 69.265 -0.486 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 116 70.462 0.792 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 116 69.868 -0.224 -4.216 1.00 0.00 H new ATOM 111 N SER A 117 74.663 -2.217 -6.291 1.00 0.00 N ATOM 112 CA SER A 117 76.020 -1.967 -6.848 1.00 0.00 C ATOM 113 C SER A 117 76.281 -0.462 -6.842 1.00 0.00 C ATOM 114 O SER A 117 75.414 0.315 -6.493 1.00 0.00 O ATOM 115 CB SER A 117 75.972 -2.504 -8.278 1.00 0.00 C ATOM 116 OG SER A 117 77.039 -1.938 -9.027 1.00 0.00 O ATOM 0 H SER A 117 74.037 -2.758 -6.888 1.00 0.00 H new ATOM 0 HA SER A 117 76.814 -2.446 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 117 76.052 -3.591 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 117 75.016 -2.256 -8.740 1.00 0.00 H new ATOM 0 HG SER A 117 77.013 -2.281 -9.945 1.00 0.00 H new ATOM 122 N VAL A 118 77.450 -0.028 -7.216 1.00 0.00 N ATOM 123 CA VAL A 118 77.704 1.441 -7.208 1.00 0.00 C ATOM 124 C VAL A 118 77.095 2.084 -8.445 1.00 0.00 C ATOM 125 O VAL A 118 76.143 1.578 -9.001 1.00 0.00 O ATOM 126 CB VAL A 118 79.210 1.643 -7.215 1.00 0.00 C ATOM 127 CG1 VAL A 118 79.511 2.961 -6.509 1.00 0.00 C ATOM 128 CG2 VAL A 118 79.912 0.497 -6.481 1.00 0.00 C ATOM 0 H VAL A 118 78.228 -0.612 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 118 77.254 1.901 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 118 79.574 1.662 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 118 80.588 3.131 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 118 79.019 3.778 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 118 79.142 2.918 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 118 80.990 0.660 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 118 79.566 0.461 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 118 79.681 -0.447 -6.975 1.00 0.00 H new ATOM 138 N ASN A 119 77.614 3.218 -8.864 1.00 0.00 N ATOM 139 CA ASN A 119 77.050 3.931 -10.053 1.00 0.00 C ATOM 140 C ASN A 119 75.744 4.619 -9.668 1.00 0.00 C ATOM 141 O ASN A 119 75.375 5.639 -10.212 1.00 0.00 O ATOM 142 CB ASN A 119 76.799 2.837 -11.116 1.00 0.00 C ATOM 143 CG ASN A 119 75.300 2.466 -11.215 1.00 0.00 C ATOM 144 OD1 ASN A 119 74.939 1.323 -11.023 1.00 0.00 O ATOM 145 ND2 ASN A 119 74.408 3.385 -11.507 1.00 0.00 N ATOM 0 H ASN A 119 78.411 3.681 -8.427 1.00 0.00 H new ATOM 0 HA ASN A 119 77.724 4.701 -10.430 1.00 0.00 H new ATOM 0 HB2 ASN A 119 77.152 3.185 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 119 77.378 1.948 -10.866 1.00 0.00 H new ATOM 0 HD21 ASN A 119 73.421 3.136 -11.571 1.00 0.00 H new ATOM 0 HD22 ASN A 119 74.702 4.348 -11.670 1.00 0.00 H new ATOM 152 N THR A 120 75.023 4.024 -8.771 1.00 0.00 N ATOM 153 CA THR A 120 73.706 4.585 -8.380 1.00 0.00 C ATOM 154 C THR A 120 73.864 5.720 -7.360 1.00 0.00 C ATOM 155 O THR A 120 74.937 5.972 -6.849 1.00 0.00 O ATOM 156 CB THR A 120 72.955 3.397 -7.766 1.00 0.00 C ATOM 157 OG1 THR A 120 72.402 2.601 -8.806 1.00 0.00 O ATOM 158 CG2 THR A 120 71.831 3.899 -6.856 1.00 0.00 C ATOM 0 H THR A 120 75.289 3.167 -8.287 1.00 0.00 H new ATOM 0 HA THR A 120 73.177 5.021 -9.227 1.00 0.00 H new ATOM 0 HB THR A 120 73.651 2.801 -7.176 1.00 0.00 H new ATOM 0 HG1 THR A 120 71.425 2.683 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 120 71.304 3.048 -6.425 1.00 0.00 H new ATOM 0 HG22 THR A 120 72.254 4.506 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 120 71.133 4.501 -7.438 1.00 0.00 H new ATOM 166 N THR A 121 72.788 6.396 -7.061 1.00 0.00 N ATOM 167 CA THR A 121 72.839 7.513 -6.073 1.00 0.00 C ATOM 168 C THR A 121 71.493 7.613 -5.349 1.00 0.00 C ATOM 169 O THR A 121 70.478 7.198 -5.865 1.00 0.00 O ATOM 170 CB THR A 121 73.095 8.767 -6.909 1.00 0.00 C ATOM 171 OG1 THR A 121 73.264 9.884 -6.046 1.00 0.00 O ATOM 172 CG2 THR A 121 71.905 9.012 -7.838 1.00 0.00 C ATOM 0 H THR A 121 71.867 6.221 -7.463 1.00 0.00 H new ATOM 0 HA THR A 121 73.608 7.372 -5.314 1.00 0.00 H new ATOM 0 HB THR A 121 73.997 8.630 -7.505 1.00 0.00 H new ATOM 0 HG1 THR A 121 73.430 10.688 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 121 72.087 9.906 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 121 71.777 8.155 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 121 71.002 9.150 -7.244 1.00 0.00 H new ATOM 180 N VAL A 122 71.476 8.148 -4.158 1.00 0.00 N ATOM 181 CA VAL A 122 70.191 8.263 -3.403 1.00 0.00 C ATOM 182 C VAL A 122 69.049 8.644 -4.342 1.00 0.00 C ATOM 183 O VAL A 122 68.018 8.010 -4.365 1.00 0.00 O ATOM 184 CB VAL A 122 70.435 9.362 -2.362 1.00 0.00 C ATOM 185 CG1 VAL A 122 69.114 10.054 -2.005 1.00 0.00 C ATOM 186 CG2 VAL A 122 71.037 8.743 -1.099 1.00 0.00 C ATOM 0 H VAL A 122 72.297 8.511 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 122 69.904 7.321 -2.936 1.00 0.00 H new ATOM 0 HB VAL A 122 71.123 10.097 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 122 69.299 10.833 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 122 68.683 10.500 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 122 68.419 9.322 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 122 71.211 9.524 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 122 70.347 8.004 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 122 71.982 8.260 -1.346 1.00 0.00 H new ATOM 196 N GLU A 123 69.231 9.667 -5.119 1.00 0.00 N ATOM 197 CA GLU A 123 68.157 10.084 -6.061 1.00 0.00 C ATOM 198 C GLU A 123 67.572 8.846 -6.737 1.00 0.00 C ATOM 199 O GLU A 123 66.437 8.841 -7.170 1.00 0.00 O ATOM 200 CB GLU A 123 68.846 10.985 -7.086 1.00 0.00 C ATOM 201 CG GLU A 123 68.092 12.313 -7.182 1.00 0.00 C ATOM 202 CD GLU A 123 67.491 12.462 -8.581 1.00 0.00 C ATOM 203 OE1 GLU A 123 68.245 12.403 -9.539 1.00 0.00 O ATOM 204 OE2 GLU A 123 66.286 12.634 -8.671 1.00 0.00 O ATOM 0 H GLU A 123 70.077 10.236 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 123 67.339 10.604 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 123 69.881 11.162 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 123 68.869 10.496 -8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 123 67.303 12.350 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 123 68.768 13.143 -6.975 1.00 0.00 H new ATOM 211 N ASP A 124 68.337 7.790 -6.814 1.00 0.00 N ATOM 212 CA ASP A 124 67.823 6.544 -7.449 1.00 0.00 C ATOM 213 C ASP A 124 66.848 5.851 -6.505 1.00 0.00 C ATOM 214 O ASP A 124 65.694 5.653 -6.820 1.00 0.00 O ATOM 215 CB ASP A 124 69.047 5.658 -7.671 1.00 0.00 C ATOM 216 CG ASP A 124 68.593 4.271 -8.133 1.00 0.00 C ATOM 217 OD1 ASP A 124 67.449 4.150 -8.539 1.00 0.00 O ATOM 218 OD2 ASP A 124 69.396 3.355 -8.071 1.00 0.00 O ATOM 0 H ASP A 124 69.294 7.737 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 124 67.298 6.750 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 124 69.703 6.106 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 124 69.623 5.576 -6.749 1.00 0.00 H new ATOM 223 N VAL A 125 67.309 5.488 -5.341 1.00 0.00 N ATOM 224 CA VAL A 125 66.415 4.808 -4.363 1.00 0.00 C ATOM 225 C VAL A 125 65.291 5.760 -3.956 1.00 0.00 C ATOM 226 O VAL A 125 64.128 5.410 -3.971 1.00 0.00 O ATOM 227 CB VAL A 125 67.339 4.463 -3.183 1.00 0.00 C ATOM 228 CG1 VAL A 125 66.616 4.650 -1.844 1.00 0.00 C ATOM 229 CG2 VAL A 125 67.788 3.006 -3.314 1.00 0.00 C ATOM 0 H VAL A 125 68.268 5.633 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 125 65.929 3.915 -4.756 1.00 0.00 H new ATOM 0 HB VAL A 125 68.199 5.132 -3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 125 67.293 4.399 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 125 66.296 5.687 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 125 65.744 3.997 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 125 68.444 2.751 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 125 66.915 2.354 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 125 68.325 2.874 -4.253 1.00 0.00 H new ATOM 239 N LYS A 126 65.635 6.957 -3.602 1.00 0.00 N ATOM 240 CA LYS A 126 64.596 7.939 -3.198 1.00 0.00 C ATOM 241 C LYS A 126 63.463 7.963 -4.224 1.00 0.00 C ATOM 242 O LYS A 126 62.333 7.680 -3.906 1.00 0.00 O ATOM 243 CB LYS A 126 65.312 9.290 -3.151 1.00 0.00 C ATOM 244 CG LYS A 126 64.276 10.416 -3.122 1.00 0.00 C ATOM 245 CD LYS A 126 64.950 11.723 -2.701 1.00 0.00 C ATOM 246 CE LYS A 126 64.049 12.904 -3.074 1.00 0.00 C ATOM 247 NZ LYS A 126 63.442 13.351 -1.788 1.00 0.00 N ATOM 0 H LYS A 126 66.594 7.303 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 126 64.147 7.688 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 126 65.950 9.345 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 126 65.960 9.400 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 126 63.821 10.530 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 126 63.474 10.168 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 126 65.137 11.719 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 126 65.918 11.821 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 126 64.623 13.706 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 126 63.282 12.605 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 62.811 14.159 -1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 62.896 12.570 -1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 64.195 13.637 -1.130 1.00 0.00 H new ATOM 261 N HIS A 127 63.751 8.301 -5.449 1.00 0.00 N ATOM 262 CA HIS A 127 62.667 8.341 -6.476 1.00 0.00 C ATOM 263 C HIS A 127 62.088 6.937 -6.692 1.00 0.00 C ATOM 264 O HIS A 127 60.907 6.768 -6.919 1.00 0.00 O ATOM 265 CB HIS A 127 63.333 8.875 -7.757 1.00 0.00 C ATOM 266 CG HIS A 127 63.859 7.738 -8.599 1.00 0.00 C ATOM 267 ND1 HIS A 127 65.214 7.491 -8.750 1.00 0.00 N ATOM 268 CD2 HIS A 127 63.219 6.774 -9.340 1.00 0.00 C ATOM 269 CE1 HIS A 127 65.344 6.419 -9.553 1.00 0.00 C ATOM 270 NE2 HIS A 127 64.159 5.942 -9.941 1.00 0.00 N ATOM 0 H HIS A 127 64.681 8.550 -5.785 1.00 0.00 H new ATOM 0 HA HIS A 127 61.835 8.975 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 127 62.613 9.457 -8.332 1.00 0.00 H new ATOM 0 HB3 HIS A 127 64.149 9.548 -7.495 1.00 0.00 H new ATOM 0 HD1 HIS A 127 65.975 8.025 -8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 127 62.148 6.677 -9.441 1.00 0.00 H new ATOM 0 HE1 HIS A 127 66.293 5.996 -9.848 1.00 0.00 H new ATOM 278 N TYR A 128 62.918 5.934 -6.633 1.00 0.00 N ATOM 279 CA TYR A 128 62.424 4.543 -6.843 1.00 0.00 C ATOM 280 C TYR A 128 61.338 4.199 -5.823 1.00 0.00 C ATOM 281 O TYR A 128 60.234 3.839 -6.182 1.00 0.00 O ATOM 282 CB TYR A 128 63.648 3.650 -6.644 1.00 0.00 C ATOM 283 CG TYR A 128 63.332 2.248 -7.104 1.00 0.00 C ATOM 284 CD1 TYR A 128 62.688 1.356 -6.238 1.00 0.00 C ATOM 285 CD2 TYR A 128 63.685 1.839 -8.395 1.00 0.00 C ATOM 286 CE1 TYR A 128 62.398 0.054 -6.664 1.00 0.00 C ATOM 287 CE2 TYR A 128 63.395 0.538 -8.821 1.00 0.00 C ATOM 288 CZ TYR A 128 62.751 -0.354 -7.956 1.00 0.00 C ATOM 289 OH TYR A 128 62.467 -1.638 -8.376 1.00 0.00 O ATOM 0 H TYR A 128 63.918 6.016 -6.448 1.00 0.00 H new ATOM 0 HA TYR A 128 61.980 4.413 -7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 128 64.494 4.046 -7.205 1.00 0.00 H new ATOM 0 HB3 TYR A 128 63.938 3.642 -5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 128 62.415 1.672 -5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 128 64.181 2.528 -9.063 1.00 0.00 H new ATOM 0 HE1 TYR A 128 61.902 -0.635 -5.996 1.00 0.00 H new ATOM 0 HE2 TYR A 128 63.668 0.222 -9.817 1.00 0.00 H new ATOM 0 HH TYR A 128 63.212 -1.978 -8.915 1.00 0.00 H new ATOM 299 N PHE A 129 61.638 4.289 -4.556 1.00 0.00 N ATOM 300 CA PHE A 129 60.607 3.943 -3.534 1.00 0.00 C ATOM 301 C PHE A 129 59.667 5.117 -3.268 1.00 0.00 C ATOM 302 O PHE A 129 58.601 4.940 -2.713 1.00 0.00 O ATOM 303 CB PHE A 129 61.373 3.592 -2.263 1.00 0.00 C ATOM 304 CG PHE A 129 62.211 2.356 -2.492 1.00 0.00 C ATOM 305 CD1 PHE A 129 61.595 1.111 -2.675 1.00 0.00 C ATOM 306 CD2 PHE A 129 63.606 2.456 -2.516 1.00 0.00 C ATOM 307 CE1 PHE A 129 62.377 -0.032 -2.883 1.00 0.00 C ATOM 308 CE2 PHE A 129 64.386 1.313 -2.724 1.00 0.00 C ATOM 309 CZ PHE A 129 63.773 0.069 -2.907 1.00 0.00 C ATOM 0 H PHE A 129 62.542 4.584 -4.186 1.00 0.00 H new ATOM 0 HA PHE A 129 59.987 3.116 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 129 62.011 4.426 -1.971 1.00 0.00 H new ATOM 0 HB3 PHE A 129 60.675 3.422 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 129 60.518 1.033 -2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 129 64.081 3.415 -2.374 1.00 0.00 H new ATOM 0 HE1 PHE A 129 61.903 -0.992 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 129 65.463 1.391 -2.743 1.00 0.00 H new ATOM 0 HZ PHE A 129 64.376 -0.813 -3.067 1.00 0.00 H new ATOM 319 N GLU A 130 60.019 6.307 -3.654 1.00 0.00 N ATOM 320 CA GLU A 130 59.083 7.434 -3.400 1.00 0.00 C ATOM 321 C GLU A 130 57.748 7.093 -4.030 1.00 0.00 C ATOM 322 O GLU A 130 56.697 7.371 -3.488 1.00 0.00 O ATOM 323 CB GLU A 130 59.682 8.659 -4.080 1.00 0.00 C ATOM 324 CG GLU A 130 58.777 9.867 -3.837 1.00 0.00 C ATOM 325 CD GLU A 130 59.304 11.067 -4.626 1.00 0.00 C ATOM 326 OE1 GLU A 130 60.373 10.948 -5.203 1.00 0.00 O ATOM 327 OE2 GLU A 130 58.630 12.084 -4.641 1.00 0.00 O ATOM 0 H GLU A 130 60.892 6.547 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 130 58.937 7.619 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 130 60.681 8.854 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 130 59.788 8.479 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 130 57.756 9.637 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 130 58.746 10.103 -2.773 1.00 0.00 H new ATOM 334 N GLN A 131 57.783 6.466 -5.169 1.00 0.00 N ATOM 335 CA GLN A 131 56.514 6.078 -5.822 1.00 0.00 C ATOM 336 C GLN A 131 55.929 4.888 -5.066 1.00 0.00 C ATOM 337 O GLN A 131 54.763 4.564 -5.177 1.00 0.00 O ATOM 338 CB GLN A 131 56.884 5.702 -7.258 1.00 0.00 C ATOM 339 CG GLN A 131 58.040 4.700 -7.250 1.00 0.00 C ATOM 340 CD GLN A 131 58.049 3.927 -8.570 1.00 0.00 C ATOM 341 OE1 GLN A 131 57.241 3.042 -8.774 1.00 0.00 O ATOM 342 NE2 GLN A 131 58.932 4.227 -9.484 1.00 0.00 N ATOM 0 H GLN A 131 58.632 6.208 -5.671 1.00 0.00 H new ATOM 0 HA GLN A 131 55.768 6.873 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 131 56.021 5.271 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 131 57.168 6.594 -7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 131 58.987 5.222 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 131 57.933 4.011 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 131 59.610 4.969 -9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 131 58.943 3.719 -10.368 1.00 0.00 H new ATOM 351 N PHE A 132 56.750 4.250 -4.274 1.00 0.00 N ATOM 352 CA PHE A 132 56.284 3.090 -3.468 1.00 0.00 C ATOM 353 C PHE A 132 55.725 3.596 -2.139 1.00 0.00 C ATOM 354 O PHE A 132 54.810 3.029 -1.577 1.00 0.00 O ATOM 355 CB PHE A 132 57.539 2.244 -3.230 1.00 0.00 C ATOM 356 CG PHE A 132 57.786 1.354 -4.426 1.00 0.00 C ATOM 357 CD1 PHE A 132 57.316 1.730 -5.690 1.00 0.00 C ATOM 358 CD2 PHE A 132 58.480 0.149 -4.268 1.00 0.00 C ATOM 359 CE1 PHE A 132 57.541 0.901 -6.796 1.00 0.00 C ATOM 360 CE2 PHE A 132 58.705 -0.680 -5.373 1.00 0.00 C ATOM 361 CZ PHE A 132 58.235 -0.305 -6.637 1.00 0.00 C ATOM 0 H PHE A 132 57.734 4.488 -4.152 1.00 0.00 H new ATOM 0 HA PHE A 132 55.499 2.518 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 132 58.400 2.891 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 132 57.416 1.638 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 132 56.780 2.660 -5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 132 58.842 -0.141 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 132 57.179 1.192 -7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 132 59.241 -1.609 -5.250 1.00 0.00 H new ATOM 0 HZ PHE A 132 58.407 -0.945 -7.489 1.00 0.00 H new ATOM 371 N GLY A 133 56.276 4.667 -1.638 1.00 0.00 N ATOM 372 CA GLY A 133 55.791 5.228 -0.349 1.00 0.00 C ATOM 373 C GLY A 133 56.214 6.692 -0.254 1.00 0.00 C ATOM 374 O GLY A 133 56.978 7.180 -1.063 1.00 0.00 O ATOM 0 H GLY A 133 57.045 5.179 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 133 54.706 5.145 -0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 133 56.203 4.662 0.487 1.00 0.00 H new ATOM 378 N LYS A 134 55.723 7.397 0.723 1.00 0.00 N ATOM 379 CA LYS A 134 56.099 8.832 0.863 1.00 0.00 C ATOM 380 C LYS A 134 57.619 8.997 0.819 1.00 0.00 C ATOM 381 O LYS A 134 58.137 9.919 0.221 1.00 0.00 O ATOM 382 CB LYS A 134 55.555 9.268 2.228 1.00 0.00 C ATOM 383 CG LYS A 134 55.776 8.166 3.270 1.00 0.00 C ATOM 384 CD LYS A 134 54.427 7.744 3.855 1.00 0.00 C ATOM 385 CE LYS A 134 53.811 8.919 4.620 1.00 0.00 C ATOM 386 NZ LYS A 134 52.428 8.479 4.961 1.00 0.00 N ATOM 0 H LYS A 134 55.079 7.044 1.431 1.00 0.00 H new ATOM 0 HA LYS A 134 55.691 9.435 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 134 56.051 10.184 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 134 54.491 9.493 2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 134 56.270 7.310 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 134 56.432 8.526 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 134 53.757 7.425 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 134 54.558 6.891 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 134 54.384 9.148 5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 134 53.798 9.823 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 51.943 9.234 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 51.903 8.274 4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 52.471 7.621 5.547 1.00 0.00 H new ATOM 400 N VAL A 135 58.336 8.123 1.464 1.00 0.00 N ATOM 401 CA VAL A 135 59.822 8.245 1.473 1.00 0.00 C ATOM 402 C VAL A 135 60.253 9.671 1.797 1.00 0.00 C ATOM 403 O VAL A 135 60.434 10.505 0.932 1.00 0.00 O ATOM 404 CB VAL A 135 60.299 7.770 0.082 1.00 0.00 C ATOM 405 CG1 VAL A 135 61.463 8.623 -0.433 1.00 0.00 C ATOM 406 CG2 VAL A 135 60.786 6.327 0.181 1.00 0.00 C ATOM 0 H VAL A 135 57.961 7.330 1.985 1.00 0.00 H new ATOM 0 HA VAL A 135 60.277 7.632 2.251 1.00 0.00 H new ATOM 0 HB VAL A 135 59.458 7.859 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 135 61.773 8.261 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 135 61.145 9.662 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 135 62.300 8.553 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 135 61.123 5.989 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 135 61.613 6.270 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 135 59.970 5.690 0.524 1.00 0.00 H new ATOM 416 N ASP A 136 60.462 9.927 3.051 1.00 0.00 N ATOM 417 CA ASP A 136 60.940 11.268 3.474 1.00 0.00 C ATOM 418 C ASP A 136 62.461 11.200 3.550 1.00 0.00 C ATOM 419 O ASP A 136 63.159 12.182 3.402 1.00 0.00 O ATOM 420 CB ASP A 136 60.338 11.503 4.858 1.00 0.00 C ATOM 421 CG ASP A 136 59.363 12.681 4.794 1.00 0.00 C ATOM 422 OD1 ASP A 136 58.451 12.626 3.986 1.00 0.00 O ATOM 423 OD2 ASP A 136 59.545 13.617 5.554 1.00 0.00 O ATOM 0 H ASP A 136 60.321 9.260 3.810 1.00 0.00 H new ATOM 0 HA ASP A 136 60.655 12.071 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 136 59.820 10.606 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A 136 61.128 11.709 5.580 1.00 0.00 H new ATOM 428 N ASP A 137 62.967 10.014 3.761 1.00 0.00 N ATOM 429 CA ASP A 137 64.435 9.810 3.830 1.00 0.00 C ATOM 430 C ASP A 137 64.819 8.640 2.916 1.00 0.00 C ATOM 431 O ASP A 137 64.089 7.672 2.792 1.00 0.00 O ATOM 432 CB ASP A 137 64.729 9.474 5.293 1.00 0.00 C ATOM 433 CG ASP A 137 64.590 10.736 6.146 1.00 0.00 C ATOM 434 OD1 ASP A 137 64.318 11.783 5.580 1.00 0.00 O ATOM 435 OD2 ASP A 137 64.756 10.635 7.350 1.00 0.00 O ATOM 0 H ASP A 137 62.412 9.168 3.890 1.00 0.00 H new ATOM 0 HA ASP A 137 65.000 10.684 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.040 8.706 5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 137 65.736 9.067 5.388 1.00 0.00 H new ATOM 440 N ALA A 138 65.952 8.716 2.280 1.00 0.00 N ATOM 441 CA ALA A 138 66.385 7.616 1.378 1.00 0.00 C ATOM 442 C ALA A 138 67.894 7.724 1.168 1.00 0.00 C ATOM 443 O ALA A 138 68.373 8.546 0.414 1.00 0.00 O ATOM 444 CB ALA A 138 65.620 7.840 0.067 1.00 0.00 C ATOM 0 H ALA A 138 66.602 9.499 2.347 1.00 0.00 H new ATOM 0 HA ALA A 138 66.179 6.623 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 138 65.890 7.064 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 138 64.548 7.799 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 138 65.878 8.817 -0.343 1.00 0.00 H new ATOM 450 N MET A 139 68.645 6.916 1.859 1.00 0.00 N ATOM 451 CA MET A 139 70.138 6.990 1.730 1.00 0.00 C ATOM 452 C MET A 139 70.730 5.719 1.118 1.00 0.00 C ATOM 453 O MET A 139 70.093 4.687 1.044 1.00 0.00 O ATOM 454 CB MET A 139 70.690 7.179 3.154 1.00 0.00 C ATOM 455 CG MET A 139 69.779 6.518 4.190 1.00 0.00 C ATOM 456 SD MET A 139 70.430 6.834 5.850 1.00 0.00 S ATOM 457 CE MET A 139 69.174 8.030 6.363 1.00 0.00 C ATOM 0 H MET A 139 68.299 6.208 2.507 1.00 0.00 H new ATOM 0 HA MET A 139 70.409 7.812 1.067 1.00 0.00 H new ATOM 0 HB2 MET A 139 71.690 6.751 3.219 1.00 0.00 H new ATOM 0 HB3 MET A 139 70.783 8.243 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 139 68.766 6.911 4.104 1.00 0.00 H new ATOM 0 HG3 MET A 139 69.721 5.445 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 139 69.384 8.365 7.379 1.00 0.00 H new ATOM 0 HE2 MET A 139 69.189 8.886 5.688 1.00 0.00 H new ATOM 0 HE3 MET A 139 68.191 7.561 6.332 1.00 0.00 H new ATOM 467 N LEU A 140 71.967 5.801 0.696 1.00 0.00 N ATOM 468 CA LEU A 140 72.657 4.621 0.095 1.00 0.00 C ATOM 469 C LEU A 140 74.113 4.579 0.583 1.00 0.00 C ATOM 470 O LEU A 140 74.763 5.598 0.700 1.00 0.00 O ATOM 471 CB LEU A 140 72.607 4.856 -1.416 1.00 0.00 C ATOM 472 CG LEU A 140 71.214 4.509 -1.942 1.00 0.00 C ATOM 473 CD1 LEU A 140 71.037 5.086 -3.349 1.00 0.00 C ATOM 474 CD2 LEU A 140 71.056 2.988 -1.993 1.00 0.00 C ATOM 0 H LEU A 140 72.534 6.647 0.744 1.00 0.00 H new ATOM 0 HA LEU A 140 72.190 3.676 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 140 72.843 5.896 -1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 140 73.358 4.244 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 140 70.460 4.934 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 140 70.043 4.837 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 140 71.151 6.169 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 140 71.790 4.662 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 140 70.064 2.738 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 140 71.811 2.566 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 140 71.180 2.575 -0.992 1.00 0.00 H new ATOM 486 N MET A 141 74.625 3.416 0.883 1.00 0.00 N ATOM 487 CA MET A 141 76.035 3.322 1.376 1.00 0.00 C ATOM 488 C MET A 141 76.917 2.574 0.371 1.00 0.00 C ATOM 489 O MET A 141 76.566 1.515 -0.111 1.00 0.00 O ATOM 490 CB MET A 141 75.945 2.537 2.684 1.00 0.00 C ATOM 491 CG MET A 141 74.808 3.098 3.543 1.00 0.00 C ATOM 492 SD MET A 141 75.465 3.597 5.156 1.00 0.00 S ATOM 493 CE MET A 141 75.015 5.348 5.057 1.00 0.00 C ATOM 0 H MET A 141 74.131 2.527 0.809 1.00 0.00 H new ATOM 0 HA MET A 141 76.481 4.307 1.512 1.00 0.00 H new ATOM 0 HB2 MET A 141 75.770 1.482 2.475 1.00 0.00 H new ATOM 0 HB3 MET A 141 76.889 2.602 3.225 1.00 0.00 H new ATOM 0 HG2 MET A 141 74.348 3.952 3.045 1.00 0.00 H new ATOM 0 HG3 MET A 141 74.029 2.346 3.672 1.00 0.00 H new ATOM 0 HE1 MET A 141 75.333 5.857 5.967 1.00 0.00 H new ATOM 0 HE2 MET A 141 75.506 5.802 4.196 1.00 0.00 H new ATOM 0 HE3 MET A 141 73.934 5.440 4.948 1.00 0.00 H new ATOM 503 N PHE A 142 78.068 3.114 0.066 1.00 0.00 N ATOM 504 CA PHE A 142 78.987 2.437 -0.896 1.00 0.00 C ATOM 505 C PHE A 142 80.442 2.624 -0.450 1.00 0.00 C ATOM 506 O PHE A 142 80.713 3.152 0.610 1.00 0.00 O ATOM 507 CB PHE A 142 78.750 3.135 -2.236 1.00 0.00 C ATOM 508 CG PHE A 142 77.315 2.944 -2.665 1.00 0.00 C ATOM 509 CD1 PHE A 142 76.756 1.662 -2.687 1.00 0.00 C ATOM 510 CD2 PHE A 142 76.544 4.052 -3.043 1.00 0.00 C ATOM 511 CE1 PHE A 142 75.426 1.484 -3.087 1.00 0.00 C ATOM 512 CE2 PHE A 142 75.214 3.874 -3.443 1.00 0.00 C ATOM 513 CZ PHE A 142 74.656 2.591 -3.464 1.00 0.00 C ATOM 0 H PHE A 142 78.412 3.997 0.443 1.00 0.00 H new ATOM 0 HA PHE A 142 78.802 1.365 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 142 78.974 4.198 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 142 79.422 2.729 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 142 77.351 0.809 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.975 5.042 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.995 0.494 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 142 74.619 4.727 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 142 73.630 2.454 -3.771 1.00 0.00 H new ATOM 523 N ASP A 143 81.381 2.198 -1.252 1.00 0.00 N ATOM 524 CA ASP A 143 82.817 2.356 -0.872 1.00 0.00 C ATOM 525 C ASP A 143 83.069 1.759 0.516 1.00 0.00 C ATOM 526 O ASP A 143 82.253 1.037 1.052 1.00 0.00 O ATOM 527 CB ASP A 143 83.062 3.867 -0.850 1.00 0.00 C ATOM 528 CG ASP A 143 82.918 4.433 -2.264 1.00 0.00 C ATOM 529 OD1 ASP A 143 82.671 3.653 -3.171 1.00 0.00 O ATOM 530 OD2 ASP A 143 83.057 5.635 -2.418 1.00 0.00 O ATOM 0 H ASP A 143 81.217 1.748 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 143 83.482 1.843 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 143 82.351 4.351 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 143 84.059 4.078 -0.463 1.00 0.00 H new ATOM 535 N LYS A 144 84.199 2.060 1.101 1.00 0.00 N ATOM 536 CA LYS A 144 84.511 1.516 2.455 1.00 0.00 C ATOM 537 C LYS A 144 84.600 -0.012 2.409 1.00 0.00 C ATOM 538 O LYS A 144 85.083 -0.586 1.454 1.00 0.00 O ATOM 539 CB LYS A 144 83.344 1.957 3.342 1.00 0.00 C ATOM 540 CG LYS A 144 83.017 3.428 3.070 1.00 0.00 C ATOM 541 CD LYS A 144 83.207 4.241 4.351 1.00 0.00 C ATOM 542 CE LYS A 144 83.104 5.733 4.026 1.00 0.00 C ATOM 543 NZ LYS A 144 81.871 6.195 4.723 1.00 0.00 N ATOM 0 H LYS A 144 84.920 2.660 0.699 1.00 0.00 H new ATOM 0 HA LYS A 144 85.468 1.878 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 144 82.469 1.337 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 144 83.601 1.820 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 144 83.663 3.815 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 144 81.991 3.523 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 144 82.451 3.965 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 144 84.178 4.020 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 144 83.982 6.275 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 144 83.035 5.899 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 81.733 7.211 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 81.050 5.666 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 81.968 6.031 5.745 1.00 0.00 H new ATOM 557 N THR A 145 84.139 -0.672 3.436 1.00 0.00 N ATOM 558 CA THR A 145 84.194 -2.163 3.455 1.00 0.00 C ATOM 559 C THR A 145 83.000 -2.742 2.694 1.00 0.00 C ATOM 560 O THR A 145 82.739 -3.929 2.736 1.00 0.00 O ATOM 561 CB THR A 145 84.124 -2.540 4.936 1.00 0.00 C ATOM 562 OG1 THR A 145 84.549 -1.435 5.723 1.00 0.00 O ATOM 563 CG2 THR A 145 85.035 -3.739 5.205 1.00 0.00 C ATOM 0 H THR A 145 83.726 -0.243 4.264 1.00 0.00 H new ATOM 0 HA THR A 145 85.093 -2.553 2.978 1.00 0.00 H new ATOM 0 HB THR A 145 83.098 -2.802 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 145 84.504 -1.673 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 145 84.983 -4.006 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 145 84.710 -4.586 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 145 86.062 -3.481 4.946 1.00 0.00 H new ATOM 571 N THR A 146 82.275 -1.913 1.996 1.00 0.00 N ATOM 572 CA THR A 146 81.096 -2.408 1.229 1.00 0.00 C ATOM 573 C THR A 146 81.031 -1.716 -0.136 1.00 0.00 C ATOM 574 O THR A 146 79.976 -1.330 -0.599 1.00 0.00 O ATOM 575 CB THR A 146 79.883 -2.030 2.082 1.00 0.00 C ATOM 576 OG1 THR A 146 80.005 -0.678 2.503 1.00 0.00 O ATOM 577 CG2 THR A 146 79.816 -2.944 3.306 1.00 0.00 C ATOM 0 H THR A 146 82.448 -0.910 1.923 1.00 0.00 H new ATOM 0 HA THR A 146 81.142 -3.481 1.041 1.00 0.00 H new ATOM 0 HB THR A 146 78.973 -2.146 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 146 79.228 -0.434 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 146 78.952 -2.675 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 146 79.723 -3.980 2.982 1.00 0.00 H new ATOM 0 HG23 THR A 146 80.725 -2.829 3.896 1.00 0.00 H new ATOM 585 N ASN A 147 82.154 -1.557 -0.782 1.00 0.00 N ATOM 586 CA ASN A 147 82.161 -0.890 -2.115 1.00 0.00 C ATOM 587 C ASN A 147 81.058 -1.466 -3.006 1.00 0.00 C ATOM 588 O ASN A 147 79.953 -0.963 -3.051 1.00 0.00 O ATOM 589 CB ASN A 147 83.536 -1.204 -2.705 1.00 0.00 C ATOM 590 CG ASN A 147 84.583 -0.270 -2.099 1.00 0.00 C ATOM 591 OD1 ASN A 147 84.889 0.764 -2.659 1.00 0.00 O ATOM 592 ND2 ASN A 147 85.149 -0.593 -0.969 1.00 0.00 N ATOM 0 H ASN A 147 83.067 -1.860 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 147 81.980 0.182 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 147 83.800 -2.242 -2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 147 83.513 -1.086 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 147 85.849 0.023 -0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 147 84.892 -1.461 -0.499 1.00 0.00 H new ATOM 599 N ARG A 148 81.356 -2.515 -3.717 1.00 0.00 N ATOM 600 CA ARG A 148 80.334 -3.128 -4.614 1.00 0.00 C ATOM 601 C ARG A 148 79.663 -4.316 -3.917 1.00 0.00 C ATOM 602 O ARG A 148 80.174 -4.854 -2.954 1.00 0.00 O ATOM 603 CB ARG A 148 81.117 -3.601 -5.842 1.00 0.00 C ATOM 604 CG ARG A 148 82.013 -2.468 -6.354 1.00 0.00 C ATOM 605 CD ARG A 148 83.149 -3.055 -7.196 1.00 0.00 C ATOM 606 NE ARG A 148 84.384 -2.392 -6.689 1.00 0.00 N ATOM 607 CZ ARG A 148 85.559 -2.828 -7.054 1.00 0.00 C ATOM 608 NH1 ARG A 148 86.057 -2.477 -8.208 1.00 0.00 N ATOM 609 NH2 ARG A 148 86.236 -3.617 -6.264 1.00 0.00 N ATOM 0 H ARG A 148 82.265 -2.977 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 148 79.543 -2.426 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 148 81.724 -4.469 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 148 80.427 -3.914 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 148 81.428 -1.769 -6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 148 82.422 -1.906 -5.514 1.00 0.00 H new ATOM 0 HD2 ARG A 148 83.207 -4.138 -7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 148 82.999 -2.854 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 148 84.311 -1.596 -6.056 1.00 0.00 H new ATOM 0 HH11 ARG A 148 85.528 -1.861 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 148 86.975 -2.818 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 148 85.847 -3.892 -5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 148 87.154 -3.958 -6.549 1.00 0.00 H new ATOM 623 N HIS A 149 78.523 -4.733 -4.398 1.00 0.00 N ATOM 624 CA HIS A 149 77.823 -5.889 -3.765 1.00 0.00 C ATOM 625 C HIS A 149 77.394 -5.538 -2.338 1.00 0.00 C ATOM 626 O HIS A 149 76.234 -5.298 -2.068 1.00 0.00 O ATOM 627 CB HIS A 149 78.856 -7.016 -3.750 1.00 0.00 C ATOM 628 CG HIS A 149 78.357 -8.163 -4.583 1.00 0.00 C ATOM 629 ND1 HIS A 149 77.302 -8.966 -4.178 1.00 0.00 N ATOM 630 CD2 HIS A 149 78.761 -8.658 -5.797 1.00 0.00 C ATOM 631 CE1 HIS A 149 77.108 -9.892 -5.135 1.00 0.00 C ATOM 632 NE2 HIS A 149 77.970 -9.750 -6.145 1.00 0.00 N ATOM 0 H HIS A 149 78.046 -4.324 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 149 76.919 -6.168 -4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 149 79.808 -6.656 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 149 79.035 -7.346 -2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 149 79.570 -8.261 -6.392 1.00 0.00 H new ATOM 0 HE1 HIS A 149 76.347 -10.657 -5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 149 78.035 -10.319 -6.989 1.00 0.00 H new ATOM 640 N ARG A 150 78.324 -5.510 -1.427 1.00 0.00 N ATOM 641 CA ARG A 150 77.984 -5.180 -0.012 1.00 0.00 C ATOM 642 C ARG A 150 77.226 -3.851 0.067 1.00 0.00 C ATOM 643 O ARG A 150 76.595 -3.548 1.060 1.00 0.00 O ATOM 644 CB ARG A 150 79.330 -5.066 0.699 1.00 0.00 C ATOM 645 CG ARG A 150 79.630 -6.372 1.437 1.00 0.00 C ATOM 646 CD ARG A 150 80.045 -7.441 0.426 1.00 0.00 C ATOM 647 NE ARG A 150 80.353 -8.644 1.245 1.00 0.00 N ATOM 648 CZ ARG A 150 80.912 -9.684 0.691 1.00 0.00 C ATOM 649 NH1 ARG A 150 80.532 -10.071 -0.497 1.00 0.00 N ATOM 650 NH2 ARG A 150 81.851 -10.333 1.322 1.00 0.00 N ATOM 0 H ARG A 150 79.311 -5.702 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 150 77.340 -5.935 0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 150 80.118 -4.855 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 150 79.312 -4.234 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 150 80.425 -6.217 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 150 78.750 -6.701 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 150 79.245 -7.642 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 150 80.913 -7.123 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 150 80.127 -8.656 2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 150 79.799 -9.560 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 150 80.968 -10.884 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 150 82.148 -10.027 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 150 82.288 -11.146 0.889 1.00 0.00 H new ATOM 664 N GLY A 151 77.287 -3.057 -0.968 1.00 0.00 N ATOM 665 CA GLY A 151 76.575 -1.745 -0.950 1.00 0.00 C ATOM 666 C GLY A 151 75.189 -1.914 -0.321 1.00 0.00 C ATOM 667 O GLY A 151 74.458 -2.830 -0.641 1.00 0.00 O ATOM 0 H GLY A 151 77.799 -3.260 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 151 77.154 -1.015 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 151 76.479 -1.359 -1.965 1.00 0.00 H new ATOM 671 N PHE A 152 74.823 -1.032 0.570 1.00 0.00 N ATOM 672 CA PHE A 152 73.482 -1.128 1.220 1.00 0.00 C ATOM 673 C PHE A 152 72.997 0.272 1.591 1.00 0.00 C ATOM 674 O PHE A 152 73.763 1.103 2.022 1.00 0.00 O ATOM 675 CB PHE A 152 73.697 -1.978 2.475 1.00 0.00 C ATOM 676 CG PHE A 152 74.529 -1.213 3.478 1.00 0.00 C ATOM 677 CD1 PHE A 152 73.955 -0.172 4.217 1.00 0.00 C ATOM 678 CD2 PHE A 152 75.874 -1.549 3.672 1.00 0.00 C ATOM 679 CE1 PHE A 152 74.726 0.536 5.148 1.00 0.00 C ATOM 680 CE2 PHE A 152 76.646 -0.842 4.603 1.00 0.00 C ATOM 681 CZ PHE A 152 76.072 0.200 5.340 1.00 0.00 C ATOM 0 H PHE A 152 75.396 -0.246 0.877 1.00 0.00 H new ATOM 0 HA PHE A 152 72.731 -1.572 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 152 72.735 -2.243 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 152 74.196 -2.911 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 152 72.917 0.086 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 152 76.317 -2.354 3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 152 74.283 1.340 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 152 77.684 -1.101 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 152 76.667 0.745 6.057 1.00 0.00 H new ATOM 691 N GLY A 153 71.737 0.551 1.415 1.00 0.00 N ATOM 692 CA GLY A 153 71.236 1.914 1.753 1.00 0.00 C ATOM 693 C GLY A 153 70.094 1.822 2.762 1.00 0.00 C ATOM 694 O GLY A 153 69.524 0.771 2.979 1.00 0.00 O ATOM 0 H GLY A 153 71.037 -0.098 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 153 72.047 2.515 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 153 70.893 2.417 0.849 1.00 0.00 H new ATOM 698 N PHE A 154 69.745 2.924 3.372 1.00 0.00 N ATOM 699 CA PHE A 154 68.628 2.907 4.361 1.00 0.00 C ATOM 700 C PHE A 154 67.532 3.864 3.896 1.00 0.00 C ATOM 701 O PHE A 154 67.712 5.062 3.873 1.00 0.00 O ATOM 702 CB PHE A 154 69.239 3.395 5.676 1.00 0.00 C ATOM 703 CG PHE A 154 69.878 2.235 6.404 1.00 0.00 C ATOM 704 CD1 PHE A 154 69.089 1.373 7.178 1.00 0.00 C ATOM 705 CD2 PHE A 154 71.259 2.024 6.312 1.00 0.00 C ATOM 706 CE1 PHE A 154 69.682 0.302 7.857 1.00 0.00 C ATOM 707 CE2 PHE A 154 71.852 0.952 6.990 1.00 0.00 C ATOM 708 CZ PHE A 154 71.063 0.091 7.763 1.00 0.00 C ATOM 0 H PHE A 154 70.184 3.833 3.228 1.00 0.00 H new ATOM 0 HA PHE A 154 68.183 1.918 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 154 69.983 4.166 5.478 1.00 0.00 H new ATOM 0 HB3 PHE A 154 68.468 3.848 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 154 68.024 1.535 7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 154 71.868 2.689 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 154 69.074 -0.362 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 154 72.917 0.789 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 154 71.520 -0.736 8.287 1.00 0.00 H new ATOM 718 N VAL A 155 66.395 3.357 3.523 1.00 0.00 N ATOM 719 CA VAL A 155 65.312 4.269 3.063 1.00 0.00 C ATOM 720 C VAL A 155 64.218 4.313 4.121 1.00 0.00 C ATOM 721 O VAL A 155 64.331 3.683 5.151 1.00 0.00 O ATOM 722 CB VAL A 155 64.794 3.676 1.748 1.00 0.00 C ATOM 723 CG1 VAL A 155 64.223 4.800 0.889 1.00 0.00 C ATOM 724 CG2 VAL A 155 65.943 3.004 0.986 1.00 0.00 C ATOM 0 H VAL A 155 66.168 2.363 3.515 1.00 0.00 H new ATOM 0 HA VAL A 155 65.658 5.291 2.909 1.00 0.00 H new ATOM 0 HB VAL A 155 64.024 2.936 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 155 63.852 4.388 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 155 63.405 5.285 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 155 65.004 5.531 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 155 65.565 2.586 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 155 66.715 3.742 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 155 66.367 2.206 1.596 1.00 0.00 H new ATOM 734 N THR A 156 63.163 5.050 3.906 1.00 0.00 N ATOM 735 CA THR A 156 62.114 5.092 4.957 1.00 0.00 C ATOM 736 C THR A 156 60.781 5.587 4.406 1.00 0.00 C ATOM 737 O THR A 156 60.587 6.767 4.186 1.00 0.00 O ATOM 738 CB THR A 156 62.646 6.068 6.006 1.00 0.00 C ATOM 739 OG1 THR A 156 63.786 5.504 6.639 1.00 0.00 O ATOM 740 CG2 THR A 156 61.559 6.337 7.045 1.00 0.00 C ATOM 0 H THR A 156 62.986 5.610 3.072 1.00 0.00 H new ATOM 0 HA THR A 156 61.923 4.099 5.363 1.00 0.00 H new ATOM 0 HB THR A 156 62.927 7.006 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 156 64.600 5.886 6.248 1.00 0.00 H new ATOM 0 HG21 THR A 156 61.936 7.033 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 156 60.686 6.769 6.555 1.00 0.00 H new ATOM 0 HG23 THR A 156 61.278 5.401 7.528 1.00 0.00 H new ATOM 748 N PHE A 157 59.846 4.700 4.218 1.00 0.00 N ATOM 749 CA PHE A 157 58.513 5.133 3.725 1.00 0.00 C ATOM 750 C PHE A 157 57.427 4.592 4.664 1.00 0.00 C ATOM 751 O PHE A 157 57.084 3.428 4.635 1.00 0.00 O ATOM 752 CB PHE A 157 58.361 4.582 2.298 1.00 0.00 C ATOM 753 CG PHE A 157 59.105 3.268 2.111 1.00 0.00 C ATOM 754 CD1 PHE A 157 58.570 2.070 2.608 1.00 0.00 C ATOM 755 CD2 PHE A 157 60.319 3.246 1.409 1.00 0.00 C ATOM 756 CE1 PHE A 157 59.255 0.862 2.405 1.00 0.00 C ATOM 757 CE2 PHE A 157 60.994 2.038 1.206 1.00 0.00 C ATOM 758 CZ PHE A 157 60.462 0.847 1.706 1.00 0.00 C ATOM 0 H PHE A 157 59.947 3.699 4.384 1.00 0.00 H new ATOM 0 HA PHE A 157 58.415 6.218 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 157 57.304 4.434 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 157 58.736 5.316 1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 157 57.633 2.077 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 157 60.734 4.166 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 157 58.846 -0.060 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 157 61.927 2.026 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 157 60.985 -0.085 1.551 1.00 0.00 H new ATOM 768 N GLU A 158 56.905 5.437 5.514 1.00 0.00 N ATOM 769 CA GLU A 158 55.861 4.994 6.486 1.00 0.00 C ATOM 770 C GLU A 158 54.885 4.010 5.839 1.00 0.00 C ATOM 771 O GLU A 158 54.309 3.170 6.501 1.00 0.00 O ATOM 772 CB GLU A 158 55.133 6.276 6.893 1.00 0.00 C ATOM 773 CG GLU A 158 55.504 6.635 8.333 1.00 0.00 C ATOM 774 CD GLU A 158 54.448 6.076 9.288 1.00 0.00 C ATOM 775 OE1 GLU A 158 53.278 6.134 8.946 1.00 0.00 O ATOM 776 OE2 GLU A 158 54.827 5.598 10.345 1.00 0.00 O ATOM 0 H GLU A 158 57.159 6.423 5.577 1.00 0.00 H new ATOM 0 HA GLU A 158 56.299 4.475 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 158 55.405 7.091 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 158 54.055 6.138 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 158 56.484 6.227 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 158 55.572 7.717 8.443 1.00 0.00 H new ATOM 783 N SER A 159 54.693 4.104 4.556 1.00 0.00 N ATOM 784 CA SER A 159 53.753 3.167 3.877 1.00 0.00 C ATOM 785 C SER A 159 54.147 1.718 4.178 1.00 0.00 C ATOM 786 O SER A 159 54.866 1.095 3.426 1.00 0.00 O ATOM 787 CB SER A 159 53.910 3.465 2.386 1.00 0.00 C ATOM 788 OG SER A 159 52.910 4.391 1.983 1.00 0.00 O ATOM 0 H SER A 159 55.144 4.787 3.947 1.00 0.00 H new ATOM 0 HA SER A 159 52.724 3.294 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 159 54.901 3.873 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 159 53.823 2.545 1.809 1.00 0.00 H new ATOM 0 HG SER A 159 53.010 4.585 1.028 1.00 0.00 H new ATOM 794 N GLU A 160 53.681 1.174 5.268 1.00 0.00 N ATOM 795 CA GLU A 160 54.035 -0.236 5.596 1.00 0.00 C ATOM 796 C GLU A 160 53.664 -1.141 4.431 1.00 0.00 C ATOM 797 O GLU A 160 54.364 -2.081 4.109 1.00 0.00 O ATOM 798 CB GLU A 160 53.201 -0.595 6.816 1.00 0.00 C ATOM 799 CG GLU A 160 53.789 -1.854 7.455 1.00 0.00 C ATOM 800 CD GLU A 160 52.729 -2.957 7.486 1.00 0.00 C ATOM 801 OE1 GLU A 160 51.824 -2.858 8.298 1.00 0.00 O ATOM 802 OE2 GLU A 160 52.840 -3.881 6.697 1.00 0.00 O ATOM 0 H GLU A 160 53.074 1.641 5.942 1.00 0.00 H new ATOM 0 HA GLU A 160 55.102 -0.355 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 160 53.202 0.228 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 160 52.164 -0.766 6.528 1.00 0.00 H new ATOM 0 HG2 GLU A 160 54.659 -2.188 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 160 54.130 -1.635 8.467 1.00 0.00 H new ATOM 809 N ASP A 161 52.558 -0.862 3.806 1.00 0.00 N ATOM 810 CA ASP A 161 52.111 -1.698 2.657 1.00 0.00 C ATOM 811 C ASP A 161 53.301 -2.097 1.793 1.00 0.00 C ATOM 812 O ASP A 161 53.682 -3.251 1.742 1.00 0.00 O ATOM 813 CB ASP A 161 51.145 -0.813 1.870 1.00 0.00 C ATOM 814 CG ASP A 161 49.932 -1.638 1.436 1.00 0.00 C ATOM 815 OD1 ASP A 161 50.058 -2.383 0.479 1.00 0.00 O ATOM 816 OD2 ASP A 161 48.896 -1.508 2.069 1.00 0.00 O ATOM 0 H ASP A 161 51.939 -0.086 4.042 1.00 0.00 H new ATOM 0 HA ASP A 161 51.638 -2.624 2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 161 50.824 0.029 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 161 51.646 -0.397 0.996 1.00 0.00 H new ATOM 821 N ILE A 162 53.905 -1.163 1.120 1.00 0.00 N ATOM 822 CA ILE A 162 55.070 -1.519 0.284 1.00 0.00 C ATOM 823 C ILE A 162 56.137 -2.151 1.169 1.00 0.00 C ATOM 824 O ILE A 162 56.686 -3.182 0.851 1.00 0.00 O ATOM 825 CB ILE A 162 55.556 -0.208 -0.333 1.00 0.00 C ATOM 826 CG1 ILE A 162 56.470 -0.537 -1.503 1.00 0.00 C ATOM 827 CG2 ILE A 162 56.330 0.607 0.704 1.00 0.00 C ATOM 828 CD1 ILE A 162 55.768 -0.187 -2.817 1.00 0.00 C ATOM 0 H ILE A 162 53.643 -0.177 1.114 1.00 0.00 H new ATOM 0 HA ILE A 162 54.828 -2.239 -0.498 1.00 0.00 H new ATOM 0 HB ILE A 162 54.701 0.378 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 162 57.402 0.021 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 162 56.730 -1.596 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 162 56.671 1.539 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 162 55.680 0.830 1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 162 57.191 0.034 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 162 56.424 -0.423 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 162 54.848 -0.765 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 162 55.531 0.877 -2.831 1.00 0.00 H new ATOM 840 N VAL A 163 56.404 -1.562 2.300 1.00 0.00 N ATOM 841 CA VAL A 163 57.414 -2.165 3.220 1.00 0.00 C ATOM 842 C VAL A 163 57.099 -3.646 3.339 1.00 0.00 C ATOM 843 O VAL A 163 57.973 -4.476 3.441 1.00 0.00 O ATOM 844 CB VAL A 163 57.237 -1.461 4.571 1.00 0.00 C ATOM 845 CG1 VAL A 163 58.431 -1.791 5.474 1.00 0.00 C ATOM 846 CG2 VAL A 163 57.173 0.054 4.359 1.00 0.00 C ATOM 0 H VAL A 163 55.973 -0.698 2.627 1.00 0.00 H new ATOM 0 HA VAL A 163 58.439 -2.050 2.868 1.00 0.00 H new ATOM 0 HB VAL A 163 56.313 -1.803 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 163 58.309 -1.292 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 163 58.484 -2.869 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 163 59.351 -1.447 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 163 57.047 0.551 5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 163 58.097 0.395 3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 163 56.329 0.296 3.713 1.00 0.00 H new ATOM 856 N GLU A 164 55.842 -3.982 3.299 1.00 0.00 N ATOM 857 CA GLU A 164 55.454 -5.415 3.381 1.00 0.00 C ATOM 858 C GLU A 164 56.056 -6.182 2.201 1.00 0.00 C ATOM 859 O GLU A 164 56.558 -7.279 2.344 1.00 0.00 O ATOM 860 CB GLU A 164 53.932 -5.410 3.288 1.00 0.00 C ATOM 861 CG GLU A 164 53.356 -6.397 4.302 1.00 0.00 C ATOM 862 CD GLU A 164 52.193 -7.162 3.671 1.00 0.00 C ATOM 863 OE1 GLU A 164 52.173 -7.272 2.456 1.00 0.00 O ATOM 864 OE2 GLU A 164 51.342 -7.623 4.412 1.00 0.00 O ATOM 0 H GLU A 164 55.066 -3.326 3.213 1.00 0.00 H new ATOM 0 HA GLU A 164 55.808 -5.894 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 164 53.549 -4.408 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 164 53.618 -5.682 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 164 54.129 -7.094 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 164 53.015 -5.864 5.190 1.00 0.00 H new ATOM 871 N LYS A 165 55.997 -5.605 1.032 1.00 0.00 N ATOM 872 CA LYS A 165 56.553 -6.287 -0.175 1.00 0.00 C ATOM 873 C LYS A 165 58.044 -5.997 -0.323 1.00 0.00 C ATOM 874 O LYS A 165 58.863 -6.891 -0.256 1.00 0.00 O ATOM 875 CB LYS A 165 55.773 -5.703 -1.354 1.00 0.00 C ATOM 876 CG LYS A 165 56.328 -6.263 -2.664 1.00 0.00 C ATOM 877 CD LYS A 165 55.667 -7.610 -2.964 1.00 0.00 C ATOM 878 CE LYS A 165 56.721 -8.599 -3.465 1.00 0.00 C ATOM 879 NZ LYS A 165 56.076 -9.301 -4.609 1.00 0.00 N ATOM 0 H LYS A 165 55.587 -4.687 0.859 1.00 0.00 H new ATOM 0 HA LYS A 165 56.453 -7.371 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 165 54.715 -5.949 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 165 55.849 -4.616 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 165 56.140 -5.564 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 165 57.409 -6.384 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 165 55.187 -7.999 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 165 54.886 -7.484 -3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 165 57.629 -8.083 -3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 165 57.008 -9.301 -2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 56.338 -10.307 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 55.043 -9.211 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 56.396 -8.875 -5.502 1.00 0.00 H new ATOM 893 N VAL A 166 58.410 -4.765 -0.516 1.00 0.00 N ATOM 894 CA VAL A 166 59.858 -4.450 -0.655 1.00 0.00 C ATOM 895 C VAL A 166 60.629 -5.164 0.455 1.00 0.00 C ATOM 896 O VAL A 166 61.800 -5.453 0.322 1.00 0.00 O ATOM 897 CB VAL A 166 59.980 -2.932 -0.508 1.00 0.00 C ATOM 898 CG1 VAL A 166 59.493 -2.250 -1.788 1.00 0.00 C ATOM 899 CG2 VAL A 166 59.133 -2.460 0.672 1.00 0.00 C ATOM 0 H VAL A 166 57.778 -3.968 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 166 60.264 -4.778 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 166 61.024 -2.672 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.581 -1.169 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.100 -2.581 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 166 58.450 -2.513 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 166 59.222 -1.378 0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.090 -2.724 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 166 59.482 -2.941 1.586 1.00 0.00 H new ATOM 909 N CYS A 167 59.978 -5.474 1.545 1.00 0.00 N ATOM 910 CA CYS A 167 60.691 -6.188 2.636 1.00 0.00 C ATOM 911 C CYS A 167 61.077 -7.582 2.132 1.00 0.00 C ATOM 912 O CYS A 167 62.077 -8.151 2.526 1.00 0.00 O ATOM 913 CB CYS A 167 59.689 -6.286 3.791 1.00 0.00 C ATOM 914 SG CYS A 167 60.185 -7.601 4.937 1.00 0.00 S ATOM 0 H CYS A 167 58.996 -5.265 1.723 1.00 0.00 H new ATOM 0 HA CYS A 167 61.600 -5.679 2.955 1.00 0.00 H new ATOM 0 HB2 CYS A 167 59.636 -5.334 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 167 58.692 -6.490 3.401 1.00 0.00 H new ATOM 0 HG CYS A 167 59.228 -7.816 5.791 1.00 0.00 H new ATOM 920 N GLU A 168 60.273 -8.126 1.260 1.00 0.00 N ATOM 921 CA GLU A 168 60.550 -9.481 0.706 1.00 0.00 C ATOM 922 C GLU A 168 61.740 -9.439 -0.261 1.00 0.00 C ATOM 923 O GLU A 168 62.082 -8.402 -0.793 1.00 0.00 O ATOM 924 CB GLU A 168 59.268 -9.860 -0.042 1.00 0.00 C ATOM 925 CG GLU A 168 58.848 -11.276 0.355 1.00 0.00 C ATOM 926 CD GLU A 168 58.200 -11.971 -0.844 1.00 0.00 C ATOM 927 OE1 GLU A 168 58.932 -12.509 -1.657 1.00 0.00 O ATOM 928 OE2 GLU A 168 56.983 -11.952 -0.928 1.00 0.00 O ATOM 0 H GLU A 168 59.426 -7.683 0.904 1.00 0.00 H new ATOM 0 HA GLU A 168 60.807 -10.199 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 168 58.473 -9.153 0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 168 59.432 -9.806 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 168 59.716 -11.843 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 168 58.148 -11.239 1.189 1.00 0.00 H new ATOM 935 N ILE A 169 62.366 -10.560 -0.491 1.00 0.00 N ATOM 936 CA ILE A 169 63.530 -10.590 -1.424 1.00 0.00 C ATOM 937 C ILE A 169 63.054 -10.885 -2.850 1.00 0.00 C ATOM 938 O ILE A 169 63.044 -12.018 -3.289 1.00 0.00 O ATOM 939 CB ILE A 169 64.420 -11.723 -0.912 1.00 0.00 C ATOM 940 CG1 ILE A 169 63.646 -13.043 -0.965 1.00 0.00 C ATOM 941 CG2 ILE A 169 64.834 -11.436 0.531 1.00 0.00 C ATOM 942 CD1 ILE A 169 64.304 -13.985 -1.976 1.00 0.00 C ATOM 0 H ILE A 169 62.122 -11.458 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 169 64.060 -9.638 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 169 65.309 -11.796 -1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 169 63.630 -13.506 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 169 62.610 -12.857 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 169 65.468 -12.244 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 169 65.385 -10.496 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 169 63.945 -11.363 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 169 63.751 -14.924 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 169 64.297 -13.522 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 169 65.333 -14.181 -1.674 1.00 0.00 H new ATOM 954 N HIS A 170 62.656 -9.875 -3.574 1.00 0.00 N ATOM 955 CA HIS A 170 62.178 -10.098 -4.969 1.00 0.00 C ATOM 956 C HIS A 170 62.936 -9.191 -5.944 1.00 0.00 C ATOM 957 O HIS A 170 63.193 -8.037 -5.663 1.00 0.00 O ATOM 958 CB HIS A 170 60.695 -9.730 -4.944 1.00 0.00 C ATOM 959 CG HIS A 170 59.865 -10.982 -5.007 1.00 0.00 C ATOM 960 ND1 HIS A 170 60.128 -11.999 -5.913 1.00 0.00 N ATOM 961 CD2 HIS A 170 58.772 -11.395 -4.286 1.00 0.00 C ATOM 962 CE1 HIS A 170 59.211 -12.964 -5.715 1.00 0.00 C ATOM 963 NE2 HIS A 170 58.361 -12.647 -4.734 1.00 0.00 N ATOM 0 H HIS A 170 62.641 -8.905 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 170 62.340 -11.124 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 170 60.463 -9.173 -4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 170 60.457 -9.080 -5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 170 58.302 -10.834 -3.492 1.00 0.00 H new ATOM 0 HE1 HIS A 170 59.167 -13.883 -6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 170 57.579 -13.203 -4.388 1.00 0.00 H new ATOM 971 N PHE A 171 63.289 -9.704 -7.091 1.00 0.00 N ATOM 972 CA PHE A 171 64.023 -8.872 -8.090 1.00 0.00 C ATOM 973 C PHE A 171 63.405 -7.471 -8.163 1.00 0.00 C ATOM 974 O PHE A 171 62.444 -7.244 -8.870 1.00 0.00 O ATOM 975 CB PHE A 171 63.835 -9.608 -9.418 1.00 0.00 C ATOM 976 CG PHE A 171 65.170 -9.787 -10.106 1.00 0.00 C ATOM 977 CD1 PHE A 171 66.260 -10.318 -9.404 1.00 0.00 C ATOM 978 CD2 PHE A 171 65.312 -9.433 -11.453 1.00 0.00 C ATOM 979 CE1 PHE A 171 67.486 -10.493 -10.048 1.00 0.00 C ATOM 980 CE2 PHE A 171 66.543 -9.606 -12.096 1.00 0.00 C ATOM 981 CZ PHE A 171 67.630 -10.136 -11.391 1.00 0.00 C ATOM 0 H PHE A 171 63.101 -10.664 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 171 65.075 -8.743 -7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 171 63.374 -10.580 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 171 63.158 -9.046 -10.061 1.00 0.00 H new ATOM 0 HD1 PHE A 171 66.152 -10.592 -8.365 1.00 0.00 H new ATOM 0 HD2 PHE A 171 64.472 -9.026 -11.996 1.00 0.00 H new ATOM 0 HE1 PHE A 171 68.325 -10.905 -9.507 1.00 0.00 H new ATOM 0 HE2 PHE A 171 66.654 -9.331 -13.134 1.00 0.00 H new ATOM 0 HZ PHE A 171 68.581 -10.269 -11.886 1.00 0.00 H new ATOM 991 N HIS A 172 63.946 -6.528 -7.438 1.00 0.00 N ATOM 992 CA HIS A 172 63.380 -5.149 -7.471 1.00 0.00 C ATOM 993 C HIS A 172 64.000 -4.343 -8.617 1.00 0.00 C ATOM 994 O HIS A 172 63.323 -3.609 -9.309 1.00 0.00 O ATOM 995 CB HIS A 172 63.749 -4.536 -6.119 1.00 0.00 C ATOM 996 CG HIS A 172 62.495 -4.128 -5.394 1.00 0.00 C ATOM 997 ND1 HIS A 172 61.458 -5.015 -5.151 1.00 0.00 N ATOM 998 CD2 HIS A 172 62.098 -2.931 -4.851 1.00 0.00 C ATOM 999 CE1 HIS A 172 60.498 -4.345 -4.489 1.00 0.00 C ATOM 1000 NE2 HIS A 172 60.837 -3.070 -4.280 1.00 0.00 N ATOM 0 H HIS A 172 64.753 -6.653 -6.826 1.00 0.00 H new ATOM 0 HA HIS A 172 62.303 -5.151 -7.637 1.00 0.00 H new ATOM 0 HB2 HIS A 172 64.309 -5.256 -5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 172 64.396 -3.671 -6.264 1.00 0.00 H new ATOM 0 HD1 HIS A 172 61.428 -5.997 -5.424 1.00 0.00 H new ATOM 0 HD2 HIS A 172 62.677 -2.019 -4.865 1.00 0.00 H new ATOM 0 HE1 HIS A 172 59.566 -4.785 -4.166 1.00 0.00 H new ATOM 1008 N GLU A 173 65.283 -4.474 -8.825 1.00 0.00 N ATOM 1009 CA GLU A 173 65.942 -3.715 -9.929 1.00 0.00 C ATOM 1010 C GLU A 173 65.908 -2.212 -9.637 1.00 0.00 C ATOM 1011 O GLU A 173 64.882 -1.573 -9.761 1.00 0.00 O ATOM 1012 CB GLU A 173 65.120 -4.040 -11.179 1.00 0.00 C ATOM 1013 CG GLU A 173 66.065 -4.348 -12.344 1.00 0.00 C ATOM 1014 CD GLU A 173 65.402 -5.343 -13.299 1.00 0.00 C ATOM 1015 OE1 GLU A 173 64.763 -6.262 -12.815 1.00 0.00 O ATOM 1016 OE2 GLU A 173 65.546 -5.168 -14.498 1.00 0.00 O ATOM 0 H GLU A 173 65.903 -5.073 -8.279 1.00 0.00 H new ATOM 0 HA GLU A 173 66.990 -3.988 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 173 64.470 -4.894 -10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 173 64.475 -3.199 -11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 173 66.313 -3.429 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 173 67.001 -4.760 -11.966 1.00 0.00 H new ATOM 1023 N ILE A 174 67.022 -1.634 -9.264 1.00 0.00 N ATOM 1024 CA ILE A 174 67.035 -0.170 -8.985 1.00 0.00 C ATOM 1025 C ILE A 174 67.878 0.538 -10.045 1.00 0.00 C ATOM 1026 O ILE A 174 69.056 0.278 -10.192 1.00 0.00 O ATOM 1027 CB ILE A 174 67.650 -0.021 -7.587 1.00 0.00 C ATOM 1028 CG1 ILE A 174 67.239 1.332 -6.999 1.00 0.00 C ATOM 1029 CG2 ILE A 174 69.176 -0.095 -7.665 1.00 0.00 C ATOM 1030 CD1 ILE A 174 66.382 1.109 -5.752 1.00 0.00 C ATOM 0 H ILE A 174 67.916 -2.110 -9.142 1.00 0.00 H new ATOM 0 HA ILE A 174 66.040 0.275 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 174 67.290 -0.831 -6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 174 68.125 1.914 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 174 66.681 1.907 -7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 174 69.597 0.012 -6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 174 69.473 -1.057 -8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 174 69.547 0.707 -8.303 1.00 0.00 H new ATOM 0 HD11 ILE A 174 66.090 2.072 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 174 65.489 0.544 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 174 66.955 0.551 -5.012 1.00 0.00 H new ATOM 1042 N ASN A 175 67.280 1.411 -10.803 1.00 0.00 N ATOM 1043 CA ASN A 175 68.036 2.121 -11.872 1.00 0.00 C ATOM 1044 C ASN A 175 68.444 1.132 -12.966 1.00 0.00 C ATOM 1045 O ASN A 175 68.139 1.316 -14.129 1.00 0.00 O ATOM 1046 CB ASN A 175 69.267 2.714 -11.181 1.00 0.00 C ATOM 1047 CG ASN A 175 69.188 4.242 -11.234 1.00 0.00 C ATOM 1048 OD1 ASN A 175 68.509 4.796 -12.076 1.00 0.00 O ATOM 1049 ND2 ASN A 175 69.857 4.953 -10.369 1.00 0.00 N ATOM 0 H ASN A 175 66.295 1.665 -10.729 1.00 0.00 H new ATOM 0 HA ASN A 175 67.441 2.898 -12.352 1.00 0.00 H new ATOM 0 HB2 ASN A 175 69.315 2.376 -10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 175 70.176 2.368 -11.672 1.00 0.00 H new ATOM 0 HD21 ASN A 175 69.809 5.971 -10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 175 70.428 4.491 -9.661 1.00 0.00 H new ATOM 1056 N ASN A 176 69.127 0.082 -12.605 1.00 0.00 N ATOM 1057 CA ASN A 176 69.547 -0.918 -13.629 1.00 0.00 C ATOM 1058 C ASN A 176 70.125 -2.181 -12.971 1.00 0.00 C ATOM 1059 O ASN A 176 70.859 -2.923 -13.595 1.00 0.00 O ATOM 1060 CB ASN A 176 70.626 -0.204 -14.448 1.00 0.00 C ATOM 1061 CG ASN A 176 71.940 -0.174 -13.659 1.00 0.00 C ATOM 1062 OD1 ASN A 176 72.937 -0.709 -14.101 1.00 0.00 O ATOM 1063 ND2 ASN A 176 71.984 0.434 -12.503 1.00 0.00 N ATOM 0 H ASN A 176 69.412 -0.128 -11.649 1.00 0.00 H new ATOM 0 HA ASN A 176 68.706 -1.249 -14.239 1.00 0.00 H new ATOM 0 HB2 ASN A 176 70.773 -0.717 -15.399 1.00 0.00 H new ATOM 0 HB3 ASN A 176 70.307 0.812 -14.680 1.00 0.00 H new ATOM 0 HD21 ASN A 176 72.855 0.459 -11.973 1.00 0.00 H new ATOM 0 HD22 ASN A 176 71.147 0.884 -12.131 1.00 0.00 H new ATOM 1070 N LYS A 177 69.826 -2.436 -11.722 1.00 0.00 N ATOM 1071 CA LYS A 177 70.391 -3.643 -11.067 1.00 0.00 C ATOM 1072 C LYS A 177 69.349 -4.301 -10.155 1.00 0.00 C ATOM 1073 O LYS A 177 68.807 -3.672 -9.274 1.00 0.00 O ATOM 1074 CB LYS A 177 71.545 -3.091 -10.239 1.00 0.00 C ATOM 1075 CG LYS A 177 72.272 -4.238 -9.542 1.00 0.00 C ATOM 1076 CD LYS A 177 71.389 -4.754 -8.414 1.00 0.00 C ATOM 1077 CE LYS A 177 72.233 -4.985 -7.161 1.00 0.00 C ATOM 1078 NZ LYS A 177 73.007 -6.228 -7.442 1.00 0.00 N ATOM 0 H LYS A 177 69.220 -1.863 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 177 70.701 -4.406 -11.781 1.00 0.00 H new ATOM 0 HB2 LYS A 177 72.237 -2.545 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 177 71.169 -2.383 -9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 177 72.486 -5.037 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 177 73.229 -3.896 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 177 70.596 -4.036 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 177 70.905 -5.683 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 177 72.896 -4.141 -6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 177 71.605 -5.102 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 177 72.736 -6.967 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 177 72.801 -6.554 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 177 74.024 -6.031 -7.352 1.00 0.00 H new ATOM 1092 N MET A 178 69.088 -5.567 -10.339 1.00 0.00 N ATOM 1093 CA MET A 178 68.094 -6.260 -9.463 1.00 0.00 C ATOM 1094 C MET A 178 68.544 -6.217 -7.994 1.00 0.00 C ATOM 1095 O MET A 178 69.010 -7.197 -7.447 1.00 0.00 O ATOM 1096 CB MET A 178 68.056 -7.702 -9.970 1.00 0.00 C ATOM 1097 CG MET A 178 69.435 -8.345 -9.803 1.00 0.00 C ATOM 1098 SD MET A 178 70.245 -8.466 -11.417 1.00 0.00 S ATOM 1099 CE MET A 178 71.938 -8.183 -10.845 1.00 0.00 C ATOM 0 H MET A 178 69.518 -6.152 -11.056 1.00 0.00 H new ATOM 0 HA MET A 178 67.114 -5.785 -9.503 1.00 0.00 H new ATOM 0 HB2 MET A 178 67.309 -8.272 -9.418 1.00 0.00 H new ATOM 0 HB3 MET A 178 67.760 -7.721 -11.019 1.00 0.00 H new ATOM 0 HG2 MET A 178 70.045 -7.751 -9.122 1.00 0.00 H new ATOM 0 HG3 MET A 178 69.335 -9.336 -9.360 1.00 0.00 H new ATOM 0 HE1 MET A 178 72.602 -8.092 -11.705 1.00 0.00 H new ATOM 0 HE2 MET A 178 71.975 -7.265 -10.259 1.00 0.00 H new ATOM 0 HE3 MET A 178 72.258 -9.022 -10.227 1.00 0.00 H new ATOM 1109 N VAL A 179 68.402 -5.091 -7.349 1.00 0.00 N ATOM 1110 CA VAL A 179 68.822 -4.988 -5.919 1.00 0.00 C ATOM 1111 C VAL A 179 67.851 -5.753 -5.015 1.00 0.00 C ATOM 1112 O VAL A 179 66.803 -6.193 -5.443 1.00 0.00 O ATOM 1113 CB VAL A 179 68.774 -3.494 -5.599 1.00 0.00 C ATOM 1114 CG1 VAL A 179 69.858 -2.769 -6.395 1.00 0.00 C ATOM 1115 CG2 VAL A 179 67.402 -2.933 -5.980 1.00 0.00 C ATOM 0 H VAL A 179 68.013 -4.237 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 179 69.811 -5.415 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 179 68.943 -3.346 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 179 69.825 -1.703 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 179 70.836 -3.168 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 179 69.688 -2.918 -7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 179 67.368 -1.868 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 179 67.232 -3.081 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 179 66.627 -3.450 -5.414 1.00 0.00 H new ATOM 1125 N GLU A 180 68.196 -5.909 -3.763 1.00 0.00 N ATOM 1126 CA GLU A 180 67.296 -6.641 -2.822 1.00 0.00 C ATOM 1127 C GLU A 180 66.710 -5.669 -1.793 1.00 0.00 C ATOM 1128 O GLU A 180 67.385 -4.779 -1.309 1.00 0.00 O ATOM 1129 CB GLU A 180 68.192 -7.671 -2.135 1.00 0.00 C ATOM 1130 CG GLU A 180 67.324 -8.716 -1.433 1.00 0.00 C ATOM 1131 CD GLU A 180 67.819 -10.117 -1.794 1.00 0.00 C ATOM 1132 OE1 GLU A 180 68.710 -10.602 -1.115 1.00 0.00 O ATOM 1133 OE2 GLU A 180 67.299 -10.681 -2.743 1.00 0.00 O ATOM 0 H GLU A 180 69.062 -5.561 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 180 66.456 -7.110 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 180 68.838 -8.153 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 180 68.842 -7.178 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 180 67.364 -8.572 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 180 66.282 -8.599 -1.732 1.00 0.00 H new ATOM 1140 N CYS A 181 65.459 -5.832 -1.455 1.00 0.00 N ATOM 1141 CA CYS A 181 64.827 -4.915 -0.460 1.00 0.00 C ATOM 1142 C CYS A 181 64.446 -5.685 0.811 1.00 0.00 C ATOM 1143 O CYS A 181 64.178 -6.871 0.774 1.00 0.00 O ATOM 1144 CB CYS A 181 63.578 -4.380 -1.163 1.00 0.00 C ATOM 1145 SG CYS A 181 64.066 -3.402 -2.605 1.00 0.00 S ATOM 0 H CYS A 181 64.847 -6.560 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 181 65.498 -4.114 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 181 62.939 -5.208 -1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 181 62.996 -3.767 -0.475 1.00 0.00 H new ATOM 0 HG CYS A 181 63.559 -2.209 -2.512 1.00 0.00 H new ATOM 1151 N LYS A 182 64.419 -5.020 1.935 1.00 0.00 N ATOM 1152 CA LYS A 182 64.056 -5.711 3.210 1.00 0.00 C ATOM 1153 C LYS A 182 63.609 -4.688 4.259 1.00 0.00 C ATOM 1154 O LYS A 182 64.089 -3.574 4.297 1.00 0.00 O ATOM 1155 CB LYS A 182 65.339 -6.410 3.662 1.00 0.00 C ATOM 1156 CG LYS A 182 65.374 -7.831 3.102 1.00 0.00 C ATOM 1157 CD LYS A 182 65.468 -8.831 4.256 1.00 0.00 C ATOM 1158 CE LYS A 182 66.928 -8.977 4.689 1.00 0.00 C ATOM 1159 NZ LYS A 182 67.201 -10.440 4.623 1.00 0.00 N ATOM 0 H LYS A 182 64.633 -4.027 2.027 1.00 0.00 H new ATOM 0 HA LYS A 182 63.232 -6.413 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 182 66.210 -5.851 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 182 65.387 -6.436 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 182 64.478 -8.023 2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 182 66.227 -7.949 2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 182 64.861 -8.492 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 182 65.071 -9.798 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 182 67.594 -8.420 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 182 67.082 -8.591 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 68.185 -10.623 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 66.557 -10.943 5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 67.052 -10.777 3.651 1.00 0.00 H new ATOM 1173 N LYS A 183 62.693 -5.058 5.111 1.00 0.00 N ATOM 1174 CA LYS A 183 62.219 -4.105 6.157 1.00 0.00 C ATOM 1175 C LYS A 183 63.389 -3.642 7.025 1.00 0.00 C ATOM 1176 O LYS A 183 64.458 -4.218 7.005 1.00 0.00 O ATOM 1177 CB LYS A 183 61.221 -4.899 7.000 1.00 0.00 C ATOM 1178 CG LYS A 183 59.934 -4.091 7.166 1.00 0.00 C ATOM 1179 CD LYS A 183 58.723 -5.003 6.944 1.00 0.00 C ATOM 1180 CE LYS A 183 57.644 -4.685 7.982 1.00 0.00 C ATOM 1181 NZ LYS A 183 57.864 -5.670 9.078 1.00 0.00 N ATOM 0 H LYS A 183 62.252 -5.978 5.129 1.00 0.00 H new ATOM 0 HA LYS A 183 61.770 -3.213 5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 183 61.004 -5.854 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 183 61.651 -5.122 7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 183 59.894 -3.652 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 183 59.916 -3.266 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 183 58.328 -4.861 5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 183 59.022 -6.048 7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 183 57.736 -3.662 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 183 56.645 -4.784 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 57.162 -5.516 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 57.764 -6.635 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 58.820 -5.548 9.468 1.00 0.00 H new ATOM 1195 N ALA A 184 63.188 -2.608 7.793 1.00 0.00 N ATOM 1196 CA ALA A 184 64.284 -2.108 8.674 1.00 0.00 C ATOM 1197 C ALA A 184 64.046 -2.564 10.115 1.00 0.00 C ATOM 1198 O ALA A 184 62.932 -2.563 10.601 1.00 0.00 O ATOM 1199 CB ALA A 184 64.213 -0.586 8.572 1.00 0.00 C ATOM 0 H ALA A 184 62.313 -2.087 7.850 1.00 0.00 H new ATOM 0 HA ALA A 184 65.262 -2.488 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 184 64.990 -0.143 9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 184 64.362 -0.283 7.535 1.00 0.00 H new ATOM 0 HB3 ALA A 184 63.236 -0.244 8.913 1.00 0.00 H new TER 1205 ALA A 184