USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 632 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 43 HIS : no HE2:sc= 0 X(o=0,f=-0.14) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 GLN : amide:sc= 1.11 K(o=4.2,f=1.7) USER MOD Set 2.2: A 15 ASN : amide:sc= 1.57 K(o=4.2,f=1.9) USER MOD Set 2.3: A 62 GLN : amide:sc= 1.53 K(o=4.2,f=1.4) USER MOD Set 3.1: A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 10 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.21) USER MOD Single : A 13 SER OG : rot 79:sc= 0.0156 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.784 K(o=0.78,f=-5.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -93:sc= 1.27 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc=-0.00138 (180deg=-0.0968) USER MOD Single : A 46 SER OG : rot -81:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -44:sc= 0.745 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00499) USER MOD Single : A 64 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 65 MET CE :methyl 175:sc=-0.00768 (180deg=-0.0805) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.276) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 72:sc= 1.26 USER MOD Single : A 75 THR OG1 : rot 77:sc= 0.244 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 68:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 7 14.768 4.600 14.576 1.00 0.00 N ATOM 94 CA ILE A 7 14.342 3.726 13.482 1.00 0.00 C ATOM 95 C ILE A 7 14.771 4.245 12.084 1.00 0.00 C ATOM 96 O ILE A 7 14.453 5.383 11.726 1.00 0.00 O ATOM 97 CB ILE A 7 12.814 3.527 13.685 1.00 0.00 C ATOM 98 CG1 ILE A 7 12.240 2.268 13.020 1.00 0.00 C ATOM 99 CG2 ILE A 7 11.955 4.777 13.404 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.208 2.274 11.493 1.00 0.00 C ATOM 0 HA ILE A 7 14.843 2.758 13.510 1.00 0.00 H new ATOM 0 HB ILE A 7 12.739 3.357 14.759 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.825 1.409 13.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.224 2.120 13.385 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.904 4.542 13.572 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.257 5.584 14.071 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.096 5.090 12.369 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.784 1.336 11.134 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.596 3.106 11.145 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.222 2.384 11.108 1.00 0.00 H new ATOM 112 N PRO A 8 15.509 3.452 11.275 1.00 0.00 N ATOM 113 CA PRO A 8 16.008 3.883 9.966 1.00 0.00 C ATOM 114 C PRO A 8 14.918 4.088 8.904 1.00 0.00 C ATOM 115 O PRO A 8 14.016 3.260 8.745 1.00 0.00 O ATOM 116 CB PRO A 8 17.015 2.824 9.512 1.00 0.00 C ATOM 117 CG PRO A 8 17.402 2.105 10.801 1.00 0.00 C ATOM 118 CD PRO A 8 16.136 2.188 11.638 1.00 0.00 C ATOM 0 HA PRO A 8 16.461 4.868 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.574 2.138 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.882 3.278 9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.694 1.072 10.614 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.244 2.590 11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.473 1.348 11.431 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.367 2.157 12.703 1.00 0.00 H new ATOM 126 N MET A 9 15.072 5.119 8.069 1.00 0.00 N ATOM 127 CA MET A 9 14.200 5.379 6.913 1.00 0.00 C ATOM 128 C MET A 9 14.183 4.215 5.907 1.00 0.00 C ATOM 129 O MET A 9 13.153 3.957 5.293 1.00 0.00 O ATOM 130 CB MET A 9 14.597 6.703 6.240 1.00 0.00 C ATOM 131 CG MET A 9 15.960 6.648 5.540 1.00 0.00 C ATOM 132 SD MET A 9 16.573 8.256 4.984 1.00 0.00 S ATOM 133 CE MET A 9 18.204 7.720 4.412 1.00 0.00 C ATOM 0 H MET A 9 15.816 5.809 8.176 1.00 0.00 H new ATOM 0 HA MET A 9 13.179 5.467 7.285 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.834 6.974 5.511 1.00 0.00 H new ATOM 0 HB3 MET A 9 14.615 7.492 6.991 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.689 6.210 6.222 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.888 5.982 4.680 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.753 8.578 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 9 18.756 7.282 5.244 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.087 6.977 3.623 1.00 0.00 H new ATOM 143 N HIS A 10 15.274 3.445 5.802 1.00 0.00 N ATOM 144 CA HIS A 10 15.327 2.253 4.947 1.00 0.00 C ATOM 145 C HIS A 10 14.356 1.165 5.429 1.00 0.00 C ATOM 146 O HIS A 10 13.679 0.537 4.614 1.00 0.00 O ATOM 147 CB HIS A 10 16.750 1.681 4.875 1.00 0.00 C ATOM 148 CG HIS A 10 17.873 2.671 5.043 1.00 0.00 C ATOM 149 ND1 HIS A 10 18.886 2.547 5.959 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.109 3.810 4.321 1.00 0.00 C ATOM 151 CE1 HIS A 10 19.733 3.574 5.786 1.00 0.00 C ATOM 152 NE2 HIS A 10 19.298 4.385 4.798 1.00 0.00 N ATOM 0 H HIS A 10 16.141 3.630 6.306 1.00 0.00 H new ATOM 0 HA HIS A 10 15.023 2.569 3.949 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.851 0.915 5.644 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.872 1.185 3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 10 17.490 4.198 3.525 1.00 0.00 H new ATOM 0 HE1 HIS A 10 20.636 3.730 6.357 1.00 0.00 H new ATOM 0 HE2 HIS A 10 19.742 5.241 4.466 1.00 0.00 H new ATOM 160 N GLN A 11 14.223 0.984 6.751 1.00 0.00 N ATOM 161 CA GLN A 11 13.259 0.048 7.332 1.00 0.00 C ATOM 162 C GLN A 11 11.821 0.561 7.147 1.00 0.00 C ATOM 163 O GLN A 11 10.925 -0.232 6.844 1.00 0.00 O ATOM 164 CB GLN A 11 13.585 -0.196 8.816 1.00 0.00 C ATOM 165 CG GLN A 11 12.722 -1.301 9.460 1.00 0.00 C ATOM 166 CD GLN A 11 12.976 -2.713 8.925 1.00 0.00 C ATOM 167 OE1 GLN A 11 13.973 -3.010 8.274 1.00 0.00 O ATOM 168 NE2 GLN A 11 12.096 -3.644 9.207 1.00 0.00 N ATOM 0 H GLN A 11 14.781 1.483 7.444 1.00 0.00 H new ATOM 0 HA GLN A 11 13.335 -0.905 6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.637 -0.466 8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.444 0.733 9.369 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.899 -1.299 10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.671 -1.055 9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.263 -3.411 9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.245 -4.601 8.886 1.00 0.00 H new ATOM 177 N ARG A 12 11.588 1.882 7.250 1.00 0.00 N ATOM 178 CA ARG A 12 10.290 2.482 6.880 1.00 0.00 C ATOM 179 C ARG A 12 9.943 2.178 5.426 1.00 0.00 C ATOM 180 O ARG A 12 8.839 1.712 5.162 1.00 0.00 O ATOM 181 CB ARG A 12 10.255 4.004 7.082 1.00 0.00 C ATOM 182 CG ARG A 12 10.535 4.494 8.511 1.00 0.00 C ATOM 183 CD ARG A 12 10.039 5.933 8.748 1.00 0.00 C ATOM 184 NE ARG A 12 10.129 6.786 7.546 1.00 0.00 N ATOM 185 CZ ARG A 12 10.983 7.744 7.250 1.00 0.00 C ATOM 186 NH1 ARG A 12 11.940 8.157 8.022 1.00 0.00 N ATOM 187 NH2 ARG A 12 10.903 8.321 6.096 1.00 0.00 N ATOM 0 H ARG A 12 12.278 2.554 7.585 1.00 0.00 H new ATOM 0 HA ARG A 12 9.555 2.031 7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.986 4.458 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.274 4.370 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.052 3.825 9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.607 4.446 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.003 5.902 9.087 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.623 6.384 9.550 1.00 0.00 H new ATOM 0 HE ARG A 12 9.420 6.605 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.075 7.732 8.939 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.558 8.907 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.186 8.033 5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.557 9.065 5.851 1.00 0.00 H new ATOM 201 N SER A 13 10.891 2.358 4.509 1.00 0.00 N ATOM 202 CA SER A 13 10.726 2.048 3.088 1.00 0.00 C ATOM 203 C SER A 13 10.521 0.546 2.825 1.00 0.00 C ATOM 204 O SER A 13 9.690 0.205 1.992 1.00 0.00 O ATOM 205 CB SER A 13 11.916 2.603 2.298 1.00 0.00 C ATOM 206 OG SER A 13 11.891 4.024 2.322 1.00 0.00 O ATOM 0 H SER A 13 11.813 2.730 4.736 1.00 0.00 H new ATOM 0 HA SER A 13 9.813 2.534 2.745 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.850 2.240 2.727 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.878 2.247 1.268 1.00 0.00 H new ATOM 0 HG SER A 13 12.245 4.343 3.179 1.00 0.00 H new ATOM 212 N GLN A 14 11.142 -0.364 3.590 1.00 0.00 N ATOM 213 CA GLN A 14 10.847 -1.809 3.527 1.00 0.00 C ATOM 214 C GLN A 14 9.396 -2.134 3.948 1.00 0.00 C ATOM 215 O GLN A 14 8.762 -3.009 3.349 1.00 0.00 O ATOM 216 CB GLN A 14 11.867 -2.584 4.382 1.00 0.00 C ATOM 217 CG GLN A 14 11.755 -4.109 4.198 1.00 0.00 C ATOM 218 CD GLN A 14 12.668 -4.889 5.139 1.00 0.00 C ATOM 219 OE1 GLN A 14 12.277 -5.281 6.232 1.00 0.00 O ATOM 220 NE2 GLN A 14 13.898 -5.151 4.760 1.00 0.00 N ATOM 0 H GLN A 14 11.863 -0.122 4.270 1.00 0.00 H new ATOM 0 HA GLN A 14 10.939 -2.126 2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.875 -2.263 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.718 -2.336 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.722 -4.415 4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.000 -4.365 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.231 -4.828 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.520 -5.677 5.374 1.00 0.00 H new ATOM 229 N ASN A 15 8.849 -1.402 4.930 1.00 0.00 N ATOM 230 CA ASN A 15 7.436 -1.497 5.324 1.00 0.00 C ATOM 231 C ASN A 15 6.509 -0.903 4.232 1.00 0.00 C ATOM 232 O ASN A 15 5.484 -1.496 3.898 1.00 0.00 O ATOM 233 CB ASN A 15 7.206 -0.820 6.694 1.00 0.00 C ATOM 234 CG ASN A 15 7.644 -1.617 7.919 1.00 0.00 C ATOM 235 OD1 ASN A 15 6.832 -2.061 8.714 1.00 0.00 O ATOM 236 ND2 ASN A 15 8.923 -1.750 8.175 1.00 0.00 N ATOM 0 H ASN A 15 9.379 -0.723 5.477 1.00 0.00 H new ATOM 0 HA ASN A 15 7.180 -2.552 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.734 0.133 6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.144 -0.596 6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.226 -2.219 9.028 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.615 -1.384 7.521 1.00 0.00 H new ATOM 243 N VAL A 16 6.867 0.247 3.641 1.00 0.00 N ATOM 244 CA VAL A 16 6.128 0.883 2.525 1.00 0.00 C ATOM 245 C VAL A 16 6.116 -0.020 1.292 1.00 0.00 C ATOM 246 O VAL A 16 5.068 -0.167 0.677 1.00 0.00 O ATOM 247 CB VAL A 16 6.739 2.255 2.162 1.00 0.00 C ATOM 248 CG1 VAL A 16 6.150 2.879 0.889 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.526 3.287 3.274 1.00 0.00 C ATOM 0 H VAL A 16 7.692 0.775 3.926 1.00 0.00 H new ATOM 0 HA VAL A 16 5.102 1.036 2.859 1.00 0.00 H new ATOM 0 HB VAL A 16 7.796 2.034 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.629 3.840 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.325 2.214 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.078 3.027 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.971 4.237 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.458 3.423 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.998 2.936 4.192 1.00 0.00 H new ATOM 259 N ALA A 17 7.230 -0.668 0.943 1.00 0.00 N ATOM 260 CA ALA A 17 7.333 -1.570 -0.206 1.00 0.00 C ATOM 261 C ALA A 17 6.353 -2.759 -0.126 1.00 0.00 C ATOM 262 O ALA A 17 5.799 -3.199 -1.138 1.00 0.00 O ATOM 263 CB ALA A 17 8.788 -2.054 -0.269 1.00 0.00 C ATOM 0 H ALA A 17 8.103 -0.578 1.462 1.00 0.00 H new ATOM 0 HA ALA A 17 7.056 -1.034 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.910 -2.731 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.451 -1.198 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.038 -2.577 0.654 1.00 0.00 H new ATOM 269 N GLU A 18 6.093 -3.250 1.087 1.00 0.00 N ATOM 270 CA GLU A 18 5.186 -4.355 1.366 1.00 0.00 C ATOM 271 C GLU A 18 3.708 -3.949 1.204 1.00 0.00 C ATOM 272 O GLU A 18 2.912 -4.710 0.648 1.00 0.00 O ATOM 273 CB GLU A 18 5.540 -4.832 2.783 1.00 0.00 C ATOM 274 CG GLU A 18 5.174 -6.291 3.019 1.00 0.00 C ATOM 275 CD GLU A 18 6.035 -6.897 4.130 1.00 0.00 C ATOM 276 OE1 GLU A 18 7.211 -7.255 3.864 1.00 0.00 O ATOM 277 OE2 GLU A 18 5.540 -7.028 5.277 1.00 0.00 O ATOM 0 H GLU A 18 6.526 -2.872 1.930 1.00 0.00 H new ATOM 0 HA GLU A 18 5.307 -5.169 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.609 -4.698 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.022 -4.209 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.120 -6.367 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.310 -6.858 2.098 1.00 0.00 H new ATOM 284 N LEU A 19 3.372 -2.710 1.588 1.00 0.00 N ATOM 285 CA LEU A 19 2.103 -2.025 1.304 1.00 0.00 C ATOM 286 C LEU A 19 1.924 -1.742 -0.199 1.00 0.00 C ATOM 287 O LEU A 19 0.881 -2.058 -0.773 1.00 0.00 O ATOM 288 CB LEU A 19 2.101 -0.737 2.142 1.00 0.00 C ATOM 289 CG LEU A 19 0.807 0.089 2.007 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.319 0.453 3.398 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.048 1.390 1.247 1.00 0.00 C ATOM 0 H LEU A 19 4.010 -2.129 2.132 1.00 0.00 H new ATOM 0 HA LEU A 19 1.256 -2.656 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.248 -0.996 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.948 -0.119 1.844 1.00 0.00 H new ATOM 0 HG LEU A 19 0.078 -0.511 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.597 1.038 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.121 -0.457 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.082 1.040 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.113 1.946 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.786 1.991 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.418 1.164 0.247 1.00 0.00 H new ATOM 303 N LEU A 20 2.952 -1.189 -0.848 1.00 0.00 N ATOM 304 CA LEU A 20 2.958 -0.804 -2.263 1.00 0.00 C ATOM 305 C LEU A 20 2.663 -2.023 -3.151 1.00 0.00 C ATOM 306 O LEU A 20 1.783 -1.973 -4.006 1.00 0.00 O ATOM 307 CB LEU A 20 4.329 -0.167 -2.591 1.00 0.00 C ATOM 308 CG LEU A 20 4.453 0.827 -3.765 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.155 1.133 -4.501 1.00 0.00 C ATOM 310 CD2 LEU A 20 4.996 2.161 -3.259 1.00 0.00 C ATOM 0 H LEU A 20 3.838 -0.989 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 20 2.174 -0.073 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.672 0.347 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.029 -0.981 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 20 5.120 0.329 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.352 1.841 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.748 0.212 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.436 1.565 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.081 2.859 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.317 2.570 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.978 2.008 -2.812 1.00 0.00 H new ATOM 322 N THR A 21 3.324 -3.150 -2.875 1.00 0.00 N ATOM 323 CA THR A 21 3.145 -4.434 -3.579 1.00 0.00 C ATOM 324 C THR A 21 1.717 -4.990 -3.456 1.00 0.00 C ATOM 325 O THR A 21 1.236 -5.664 -4.370 1.00 0.00 O ATOM 326 CB THR A 21 4.164 -5.450 -3.030 1.00 0.00 C ATOM 327 OG1 THR A 21 5.477 -4.956 -3.211 1.00 0.00 O ATOM 328 CG2 THR A 21 4.106 -6.812 -3.717 1.00 0.00 C ATOM 0 H THR A 21 4.022 -3.202 -2.133 1.00 0.00 H new ATOM 0 HA THR A 21 3.315 -4.258 -4.641 1.00 0.00 H new ATOM 0 HB THR A 21 3.907 -5.581 -1.979 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.633 -4.208 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.852 -7.474 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.114 -7.244 -3.584 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.310 -6.692 -4.781 1.00 0.00 H new ATOM 336 N VAL A 22 0.999 -4.721 -2.359 1.00 0.00 N ATOM 337 CA VAL A 22 -0.430 -5.061 -2.228 1.00 0.00 C ATOM 338 C VAL A 22 -1.321 -4.113 -3.032 1.00 0.00 C ATOM 339 O VAL A 22 -2.191 -4.595 -3.753 1.00 0.00 O ATOM 340 CB VAL A 22 -0.821 -5.153 -0.734 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.312 -4.968 -0.437 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.413 -6.519 -0.174 1.00 0.00 C ATOM 0 H VAL A 22 1.388 -4.262 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.596 -6.046 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.292 -4.325 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.482 -5.050 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.632 -3.985 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.884 -5.738 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.691 -6.578 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.923 -7.307 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.665 -6.645 -0.272 1.00 0.00 H new ATOM 352 N LEU A 23 -1.091 -2.794 -2.994 1.00 0.00 N ATOM 353 CA LEU A 23 -1.867 -1.837 -3.803 1.00 0.00 C ATOM 354 C LEU A 23 -1.657 -2.056 -5.317 1.00 0.00 C ATOM 355 O LEU A 23 -2.600 -1.974 -6.105 1.00 0.00 O ATOM 356 CB LEU A 23 -1.510 -0.388 -3.411 1.00 0.00 C ATOM 357 CG LEU A 23 -1.727 0.034 -1.954 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.342 1.503 -1.760 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.188 -0.144 -1.610 1.00 0.00 C ATOM 0 H LEU A 23 -0.373 -2.362 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.922 -2.012 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.460 -0.225 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.091 0.283 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.104 -0.582 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.502 1.787 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.292 1.641 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.958 2.129 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.357 0.153 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.795 0.476 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.467 -1.190 -1.738 1.00 0.00 H new ATOM 371 N MET A 24 -0.436 -2.419 -5.716 1.00 0.00 N ATOM 372 CA MET A 24 -0.074 -2.858 -7.070 1.00 0.00 C ATOM 373 C MET A 24 -0.806 -4.135 -7.502 1.00 0.00 C ATOM 374 O MET A 24 -1.080 -4.303 -8.694 1.00 0.00 O ATOM 375 CB MET A 24 1.452 -3.040 -7.146 1.00 0.00 C ATOM 376 CG MET A 24 2.163 -1.687 -7.248 1.00 0.00 C ATOM 377 SD MET A 24 1.772 -0.715 -8.730 1.00 0.00 S ATOM 378 CE MET A 24 2.744 0.770 -8.363 1.00 0.00 C ATOM 0 H MET A 24 0.362 -2.416 -5.080 1.00 0.00 H new ATOM 0 HA MET A 24 -0.392 -2.085 -7.770 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.802 -3.573 -6.262 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.706 -3.654 -8.010 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.910 -1.095 -6.368 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.239 -1.858 -7.219 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.627 1.491 -9.172 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.395 1.212 -7.430 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.796 0.501 -8.266 1.00 0.00 H new ATOM 388 N ASP A 25 -1.170 -5.003 -6.553 1.00 0.00 N ATOM 389 CA ASP A 25 -1.999 -6.182 -6.807 1.00 0.00 C ATOM 390 C ASP A 25 -3.477 -5.804 -7.061 1.00 0.00 C ATOM 391 O ASP A 25 -4.112 -6.385 -7.941 1.00 0.00 O ATOM 392 CB ASP A 25 -1.830 -7.208 -5.669 1.00 0.00 C ATOM 393 CG ASP A 25 -1.327 -8.568 -6.170 1.00 0.00 C ATOM 394 OD1 ASP A 25 -0.205 -8.642 -6.730 1.00 0.00 O ATOM 395 OD2 ASP A 25 -2.009 -9.591 -5.923 1.00 0.00 O ATOM 0 H ASP A 25 -0.893 -4.904 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.655 -6.655 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.130 -6.815 -4.932 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.785 -7.343 -5.161 1.00 0.00 H new ATOM 400 N ILE A 26 -4.009 -4.767 -6.389 1.00 0.00 N ATOM 401 CA ILE A 26 -5.367 -4.234 -6.649 1.00 0.00 C ATOM 402 C ILE A 26 -5.444 -3.712 -8.090 1.00 0.00 C ATOM 403 O ILE A 26 -6.420 -3.950 -8.804 1.00 0.00 O ATOM 404 CB ILE A 26 -5.757 -3.074 -5.689 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.397 -3.236 -4.205 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.243 -2.714 -5.853 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.176 -4.301 -3.461 1.00 0.00 C ATOM 0 H ILE A 26 -3.512 -4.272 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.064 -5.056 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.117 -2.253 -6.012 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.335 -3.467 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.552 -2.280 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.497 -1.901 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.430 -2.401 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.856 -3.585 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.846 -4.334 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.240 -4.065 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.004 -5.271 -3.928 1.00 0.00 H new ATOM 419 N ASN A 27 -4.376 -3.040 -8.536 1.00 0.00 N ATOM 420 CA ASN A 27 -4.291 -2.453 -9.877 1.00 0.00 C ATOM 421 C ASN A 27 -4.400 -3.518 -10.988 1.00 0.00 C ATOM 422 O ASN A 27 -4.955 -3.222 -12.047 1.00 0.00 O ATOM 423 CB ASN A 27 -3.006 -1.607 -9.965 1.00 0.00 C ATOM 424 CG ASN A 27 -2.907 -0.755 -11.224 1.00 0.00 C ATOM 425 OD1 ASN A 27 -2.115 -1.021 -12.120 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.664 0.315 -11.318 1.00 0.00 N ATOM 0 H ASN A 27 -3.540 -2.888 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.145 -1.797 -10.043 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.953 -0.955 -9.093 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.143 -2.271 -9.920 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.591 0.921 -12.135 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.324 0.539 -10.574 1.00 0.00 H new ATOM 433 N LYS A 28 -3.962 -4.765 -10.752 1.00 0.00 N ATOM 434 CA LYS A 28 -4.227 -5.918 -11.621 1.00 0.00 C ATOM 435 C LYS A 28 -5.655 -6.452 -11.460 1.00 0.00 C ATOM 436 O LYS A 28 -6.382 -6.538 -12.452 1.00 0.00 O ATOM 437 CB LYS A 28 -3.175 -7.003 -11.327 1.00 0.00 C ATOM 438 CG LYS A 28 -1.736 -6.631 -11.738 1.00 0.00 C ATOM 439 CD LYS A 28 -1.537 -6.361 -13.239 1.00 0.00 C ATOM 440 CE LYS A 28 -1.796 -7.608 -14.096 1.00 0.00 C ATOM 441 NZ LYS A 28 -1.867 -7.257 -15.531 1.00 0.00 N ATOM 0 H LYS A 28 -3.402 -5.003 -9.933 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.148 -5.604 -12.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.188 -7.223 -10.260 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.462 -7.918 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.433 -5.744 -11.182 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.068 -7.439 -11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.207 -5.561 -13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.519 -6.010 -13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.001 -8.336 -13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.729 -8.080 -13.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.043 -8.116 -16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.641 -6.579 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.967 -6.828 -15.828 1.00 0.00 H new ATOM 455 N ILE A 29 -6.090 -6.730 -10.227 1.00 0.00 N ATOM 456 CA ILE A 29 -7.390 -7.363 -9.920 1.00 0.00 C ATOM 457 C ILE A 29 -8.584 -6.571 -10.491 1.00 0.00 C ATOM 458 O ILE A 29 -9.495 -7.177 -11.064 1.00 0.00 O ATOM 459 CB ILE A 29 -7.509 -7.592 -8.391 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.493 -8.666 -7.927 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.928 -8.028 -7.977 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.226 -8.656 -6.416 1.00 0.00 C ATOM 0 H ILE A 29 -5.542 -6.520 -9.393 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.425 -8.332 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.292 -6.638 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.863 -9.650 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.551 -8.513 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.963 -8.176 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.643 -7.256 -8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.183 -8.961 -8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.505 -9.435 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.826 -7.685 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.157 -8.840 -5.881 1.00 0.00 H new ATOM 474 N ASN A 30 -8.553 -5.236 -10.400 1.00 0.00 N ATOM 475 CA ASN A 30 -9.590 -4.328 -10.914 1.00 0.00 C ATOM 476 C ASN A 30 -9.346 -3.817 -12.359 1.00 0.00 C ATOM 477 O ASN A 30 -10.199 -3.114 -12.904 1.00 0.00 O ATOM 478 CB ASN A 30 -9.754 -3.168 -9.911 1.00 0.00 C ATOM 479 CG ASN A 30 -10.552 -3.555 -8.677 1.00 0.00 C ATOM 480 OD1 ASN A 30 -10.024 -3.870 -7.620 1.00 0.00 O ATOM 481 ND2 ASN A 30 -11.859 -3.531 -8.771 1.00 0.00 N ATOM 0 H ASN A 30 -7.782 -4.741 -9.953 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.516 -4.897 -10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.768 -2.819 -9.604 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.247 -2.333 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.433 -3.775 -7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.302 -3.269 -9.651 1.00 0.00 H new ATOM 488 N GLY A 31 -8.206 -4.139 -12.988 1.00 0.00 N ATOM 489 CA GLY A 31 -7.844 -3.661 -14.337 1.00 0.00 C ATOM 490 C GLY A 31 -7.545 -2.170 -14.438 1.00 0.00 C ATOM 491 O GLY A 31 -7.811 -1.541 -15.466 1.00 0.00 O ATOM 0 H GLY A 31 -7.499 -4.746 -12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.970 -4.215 -14.679 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.659 -3.899 -15.020 1.00 0.00 H new ATOM 495 N GLY A 32 -6.943 -1.622 -13.385 1.00 0.00 N ATOM 496 CA GLY A 32 -6.516 -0.234 -13.316 1.00 0.00 C ATOM 497 C GLY A 32 -5.365 0.132 -14.262 1.00 0.00 C ATOM 498 O GLY A 32 -4.639 -0.706 -14.810 1.00 0.00 O ATOM 0 H GLY A 32 -6.735 -2.148 -12.536 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.370 0.406 -13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.212 -0.012 -12.293 1.00 0.00 H new ATOM 502 N ASP A 33 -5.227 1.434 -14.454 1.00 0.00 N ATOM 503 CA ASP A 33 -4.201 2.125 -15.253 1.00 0.00 C ATOM 504 C ASP A 33 -2.957 2.559 -14.441 1.00 0.00 C ATOM 505 O ASP A 33 -2.978 2.613 -13.207 1.00 0.00 O ATOM 506 CB ASP A 33 -4.856 3.329 -15.957 1.00 0.00 C ATOM 507 CG ASP A 33 -3.892 4.029 -16.919 1.00 0.00 C ATOM 508 OD1 ASP A 33 -3.444 3.367 -17.881 1.00 0.00 O ATOM 509 OD2 ASP A 33 -3.495 5.188 -16.651 1.00 0.00 O ATOM 0 H ASP A 33 -5.875 2.096 -14.026 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.819 1.414 -15.986 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.735 2.993 -16.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.202 4.042 -15.208 1.00 0.00 H new ATOM 514 N SER A 34 -1.883 2.920 -15.157 1.00 0.00 N ATOM 515 CA SER A 34 -0.642 3.496 -14.620 1.00 0.00 C ATOM 516 C SER A 34 -0.846 4.818 -13.866 1.00 0.00 C ATOM 517 O SER A 34 -0.208 5.053 -12.842 1.00 0.00 O ATOM 518 CB SER A 34 0.345 3.692 -15.780 1.00 0.00 C ATOM 519 OG SER A 34 1.605 4.142 -15.319 1.00 0.00 O ATOM 0 H SER A 34 -1.854 2.814 -16.171 1.00 0.00 H new ATOM 0 HA SER A 34 -0.250 2.796 -13.882 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.468 2.752 -16.317 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.063 4.413 -16.488 1.00 0.00 H new ATOM 0 HG SER A 34 2.211 4.255 -16.081 1.00 0.00 H new ATOM 525 N THR A 35 -1.777 5.670 -14.303 1.00 0.00 N ATOM 526 CA THR A 35 -2.127 6.925 -13.617 1.00 0.00 C ATOM 527 C THR A 35 -2.747 6.671 -12.237 1.00 0.00 C ATOM 528 O THR A 35 -2.331 7.255 -11.236 1.00 0.00 O ATOM 529 CB THR A 35 -3.079 7.759 -14.487 1.00 0.00 C ATOM 530 OG1 THR A 35 -4.202 7.021 -14.924 1.00 0.00 O ATOM 531 CG2 THR A 35 -2.388 8.326 -15.726 1.00 0.00 C ATOM 0 H THR A 35 -2.318 5.509 -15.153 1.00 0.00 H new ATOM 0 HA THR A 35 -1.204 7.483 -13.461 1.00 0.00 H new ATOM 0 HB THR A 35 -3.404 8.572 -13.838 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.015 6.631 -15.803 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.103 8.907 -16.308 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.562 8.968 -15.420 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.005 7.508 -16.336 1.00 0.00 H new ATOM 539 N THR A 36 -3.669 5.714 -12.145 1.00 0.00 N ATOM 540 CA THR A 36 -4.268 5.249 -10.886 1.00 0.00 C ATOM 541 C THR A 36 -3.230 4.581 -9.972 1.00 0.00 C ATOM 542 O THR A 36 -3.299 4.752 -8.753 1.00 0.00 O ATOM 543 CB THR A 36 -5.424 4.288 -11.219 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.217 4.841 -12.250 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.354 4.048 -10.039 1.00 0.00 C ATOM 0 H THR A 36 -4.032 5.225 -12.963 1.00 0.00 H new ATOM 0 HA THR A 36 -4.652 6.107 -10.334 1.00 0.00 H new ATOM 0 HB THR A 36 -4.960 3.345 -11.508 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.951 4.228 -12.462 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.148 3.363 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.790 3.614 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.791 4.995 -9.722 1.00 0.00 H new ATOM 553 N ALA A 37 -2.221 3.901 -10.535 1.00 0.00 N ATOM 554 CA ALA A 37 -1.081 3.347 -9.794 1.00 0.00 C ATOM 555 C ALA A 37 -0.111 4.429 -9.268 1.00 0.00 C ATOM 556 O ALA A 37 0.353 4.341 -8.131 1.00 0.00 O ATOM 557 CB ALA A 37 -0.362 2.326 -10.685 1.00 0.00 C ATOM 0 H ALA A 37 -2.174 3.718 -11.537 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.464 2.853 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.487 1.907 -10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.053 1.526 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.009 2.819 -11.591 1.00 0.00 H new ATOM 563 N GLU A 38 0.134 5.505 -10.021 1.00 0.00 N ATOM 564 CA GLU A 38 0.862 6.694 -9.541 1.00 0.00 C ATOM 565 C GLU A 38 0.176 7.357 -8.334 1.00 0.00 C ATOM 566 O GLU A 38 0.847 7.850 -7.424 1.00 0.00 O ATOM 567 CB GLU A 38 1.051 7.700 -10.681 1.00 0.00 C ATOM 568 CG GLU A 38 2.283 7.422 -11.550 1.00 0.00 C ATOM 569 CD GLU A 38 3.592 7.575 -10.767 1.00 0.00 C ATOM 570 OE1 GLU A 38 3.795 8.622 -10.104 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.433 6.648 -10.815 1.00 0.00 O ATOM 0 H GLU A 38 -0.169 5.581 -10.992 1.00 0.00 H new ATOM 0 HA GLU A 38 1.841 6.357 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.163 7.691 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.133 8.702 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.220 6.412 -11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.288 8.105 -12.399 1.00 0.00 H new ATOM 578 N LYS A 39 -1.159 7.328 -8.292 1.00 0.00 N ATOM 579 CA LYS A 39 -1.989 7.754 -7.153 1.00 0.00 C ATOM 580 C LYS A 39 -1.994 6.746 -5.985 1.00 0.00 C ATOM 581 O LYS A 39 -2.107 7.164 -4.832 1.00 0.00 O ATOM 582 CB LYS A 39 -3.379 8.127 -7.692 1.00 0.00 C ATOM 583 CG LYS A 39 -3.495 9.616 -8.076 1.00 0.00 C ATOM 584 CD LYS A 39 -2.459 10.130 -9.095 1.00 0.00 C ATOM 585 CE LYS A 39 -2.723 11.604 -9.424 1.00 0.00 C ATOM 586 NZ LYS A 39 -1.700 12.166 -10.340 1.00 0.00 N ATOM 0 H LYS A 39 -1.716 6.995 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.554 8.639 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.601 7.514 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.130 7.892 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.492 9.790 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.411 10.213 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.453 10.015 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.507 9.533 -10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.709 11.702 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.739 12.183 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.919 13.164 -10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.762 12.097 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.701 11.631 -11.232 1.00 0.00 H new ATOM 600 N MET A 40 -1.786 5.446 -6.233 1.00 0.00 N ATOM 601 CA MET A 40 -1.478 4.462 -5.172 1.00 0.00 C ATOM 602 C MET A 40 -0.090 4.687 -4.549 1.00 0.00 C ATOM 603 O MET A 40 0.044 4.637 -3.328 1.00 0.00 O ATOM 604 CB MET A 40 -1.567 3.015 -5.685 1.00 0.00 C ATOM 605 CG MET A 40 -2.984 2.569 -6.046 1.00 0.00 C ATOM 606 SD MET A 40 -4.151 2.577 -4.659 1.00 0.00 S ATOM 607 CE MET A 40 -5.540 1.691 -5.415 1.00 0.00 C ATOM 0 H MET A 40 -1.825 5.042 -7.169 1.00 0.00 H new ATOM 0 HA MET A 40 -2.235 4.616 -4.404 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.930 2.912 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.169 2.345 -4.923 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.368 3.221 -6.831 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.940 1.562 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.353 1.605 -4.694 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.888 2.239 -6.291 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.216 0.695 -5.716 1.00 0.00 H new ATOM 617 N LYS A 41 0.930 5.013 -5.357 1.00 0.00 N ATOM 618 CA LYS A 41 2.258 5.447 -4.868 1.00 0.00 C ATOM 619 C LYS A 41 2.155 6.636 -3.901 1.00 0.00 C ATOM 620 O LYS A 41 2.763 6.619 -2.831 1.00 0.00 O ATOM 621 CB LYS A 41 3.190 5.754 -6.044 1.00 0.00 C ATOM 622 CG LYS A 41 3.965 4.520 -6.526 1.00 0.00 C ATOM 623 CD LYS A 41 4.722 4.801 -7.830 1.00 0.00 C ATOM 624 CE LYS A 41 5.724 3.680 -8.128 1.00 0.00 C ATOM 625 NZ LYS A 41 6.254 3.806 -9.502 1.00 0.00 N ATOM 0 H LYS A 41 0.862 4.985 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 41 2.689 4.622 -4.301 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.604 6.155 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.897 6.529 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.670 4.209 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.273 3.692 -6.678 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.015 4.892 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.247 5.753 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.544 3.718 -7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.240 2.711 -8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.931 3.038 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.470 3.746 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.734 4.723 -9.606 1.00 0.00 H new ATOM 639 N VAL A 42 1.306 7.615 -4.223 1.00 0.00 N ATOM 640 CA VAL A 42 0.998 8.761 -3.347 1.00 0.00 C ATOM 641 C VAL A 42 0.282 8.345 -2.051 1.00 0.00 C ATOM 642 O VAL A 42 0.591 8.904 -0.996 1.00 0.00 O ATOM 643 CB VAL A 42 0.204 9.824 -4.133 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.383 10.934 -3.261 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.113 10.500 -5.165 1.00 0.00 C ATOM 0 H VAL A 42 0.804 7.639 -5.110 1.00 0.00 H new ATOM 0 HA VAL A 42 1.943 9.200 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.620 9.280 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.926 11.641 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.065 10.500 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.423 11.454 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.544 11.249 -5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.948 10.981 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.495 9.752 -5.860 1.00 0.00 H new ATOM 655 N HIS A 43 -0.598 7.335 -2.063 1.00 0.00 N ATOM 656 CA HIS A 43 -1.225 6.815 -0.839 1.00 0.00 C ATOM 657 C HIS A 43 -0.159 6.188 0.064 1.00 0.00 C ATOM 658 O HIS A 43 -0.088 6.504 1.250 1.00 0.00 O ATOM 659 CB HIS A 43 -2.335 5.803 -1.183 1.00 0.00 C ATOM 660 CG HIS A 43 -3.054 5.214 0.015 1.00 0.00 C ATOM 661 ND1 HIS A 43 -3.166 5.765 1.273 1.00 0.00 N ATOM 662 CD2 HIS A 43 -3.742 4.028 0.046 1.00 0.00 C ATOM 663 CE1 HIS A 43 -3.895 4.939 2.035 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.274 3.856 1.334 1.00 0.00 N ATOM 0 H HIS A 43 -0.894 6.858 -2.914 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.691 7.640 -0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.068 6.293 -1.824 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.898 4.990 -1.763 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.762 6.652 1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.855 3.342 -0.781 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.144 5.118 3.070 1.00 0.00 H new ATOM 672 N ALA A 44 0.729 5.378 -0.515 1.00 0.00 N ATOM 673 CA ALA A 44 1.792 4.701 0.215 1.00 0.00 C ATOM 674 C ALA A 44 2.787 5.681 0.876 1.00 0.00 C ATOM 675 O ALA A 44 3.076 5.558 2.069 1.00 0.00 O ATOM 676 CB ALA A 44 2.483 3.738 -0.758 1.00 0.00 C ATOM 0 H ALA A 44 0.727 5.174 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 44 1.362 4.146 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.287 3.213 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.758 3.014 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.896 4.301 -1.595 1.00 0.00 H new ATOM 682 N LYS A 45 3.252 6.696 0.129 1.00 0.00 N ATOM 683 CA LYS A 45 4.134 7.764 0.639 1.00 0.00 C ATOM 684 C LYS A 45 3.467 8.606 1.727 1.00 0.00 C ATOM 685 O LYS A 45 4.056 8.832 2.784 1.00 0.00 O ATOM 686 CB LYS A 45 4.588 8.670 -0.518 1.00 0.00 C ATOM 687 CG LYS A 45 5.667 8.009 -1.383 1.00 0.00 C ATOM 688 CD LYS A 45 6.079 8.947 -2.526 1.00 0.00 C ATOM 689 CE LYS A 45 7.255 8.404 -3.346 1.00 0.00 C ATOM 690 NZ LYS A 45 8.500 8.300 -2.551 1.00 0.00 N ATOM 0 H LYS A 45 3.024 6.801 -0.860 1.00 0.00 H new ATOM 0 HA LYS A 45 4.998 7.277 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.729 8.920 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.972 9.607 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.536 7.766 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.292 7.070 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.225 9.106 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.348 9.919 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.996 7.421 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.428 9.055 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.299 8.092 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.673 9.199 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.403 7.535 -1.853 1.00 0.00 H new ATOM 704 N SER A 46 2.225 9.040 1.502 1.00 0.00 N ATOM 705 CA SER A 46 1.492 9.843 2.486 1.00 0.00 C ATOM 706 C SER A 46 1.150 9.063 3.760 1.00 0.00 C ATOM 707 O SER A 46 1.092 9.679 4.828 1.00 0.00 O ATOM 708 CB SER A 46 0.269 10.530 1.870 1.00 0.00 C ATOM 709 OG SER A 46 -0.606 9.617 1.235 1.00 0.00 O ATOM 0 H SER A 46 1.704 8.849 0.646 1.00 0.00 H new ATOM 0 HA SER A 46 2.171 10.635 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.273 11.065 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.601 11.273 1.145 1.00 0.00 H new ATOM 0 HG SER A 46 -0.263 9.402 0.342 1.00 0.00 H new ATOM 715 N PHE A 47 1.008 7.731 3.685 1.00 0.00 N ATOM 716 CA PHE A 47 0.824 6.882 4.864 1.00 0.00 C ATOM 717 C PHE A 47 2.084 6.791 5.741 1.00 0.00 C ATOM 718 O PHE A 47 1.981 7.049 6.941 1.00 0.00 O ATOM 719 CB PHE A 47 0.294 5.493 4.490 1.00 0.00 C ATOM 720 CG PHE A 47 -0.365 4.802 5.672 1.00 0.00 C ATOM 721 CD1 PHE A 47 -1.658 5.190 6.078 1.00 0.00 C ATOM 722 CD2 PHE A 47 0.330 3.826 6.411 1.00 0.00 C ATOM 723 CE1 PHE A 47 -2.250 4.607 7.214 1.00 0.00 C ATOM 724 CE2 PHE A 47 -0.261 3.243 7.548 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.550 3.637 7.952 1.00 0.00 C ATOM 0 H PHE A 47 1.018 7.216 2.805 1.00 0.00 H new ATOM 0 HA PHE A 47 0.063 7.372 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.425 5.586 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.115 4.878 4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.197 5.938 5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.320 3.523 6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.242 4.905 7.519 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.275 2.493 8.110 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.001 3.195 8.828 1.00 0.00 H new ATOM 735 N GLU A 48 3.286 6.517 5.194 1.00 0.00 N ATOM 736 CA GLU A 48 4.491 6.560 6.052 1.00 0.00 C ATOM 737 C GLU A 48 4.792 7.970 6.579 1.00 0.00 C ATOM 738 O GLU A 48 5.315 8.109 7.683 1.00 0.00 O ATOM 739 CB GLU A 48 5.749 5.863 5.526 1.00 0.00 C ATOM 740 CG GLU A 48 6.346 6.443 4.247 1.00 0.00 C ATOM 741 CD GLU A 48 7.894 6.485 4.215 1.00 0.00 C ATOM 742 OE1 GLU A 48 8.514 6.878 5.233 1.00 0.00 O ATOM 743 OE2 GLU A 48 8.519 6.256 3.149 1.00 0.00 O ATOM 0 H GLU A 48 3.448 6.276 4.216 1.00 0.00 H new ATOM 0 HA GLU A 48 4.197 5.931 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.510 5.893 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.513 4.813 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.995 5.855 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.966 7.456 4.112 1.00 0.00 H new ATOM 750 N ALA A 49 4.427 9.025 5.845 1.00 0.00 N ATOM 751 CA ALA A 49 4.548 10.405 6.317 1.00 0.00 C ATOM 752 C ALA A 49 3.549 10.774 7.436 1.00 0.00 C ATOM 753 O ALA A 49 3.854 11.640 8.257 1.00 0.00 O ATOM 754 CB ALA A 49 4.444 11.343 5.111 1.00 0.00 C ATOM 0 H ALA A 49 4.039 8.945 4.905 1.00 0.00 H new ATOM 0 HA ALA A 49 5.524 10.517 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.532 12.377 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.245 11.120 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.480 11.201 4.622 1.00 0.00 H new ATOM 760 N ALA A 50 2.375 10.134 7.499 1.00 0.00 N ATOM 761 CA ALA A 50 1.438 10.270 8.621 1.00 0.00 C ATOM 762 C ALA A 50 1.917 9.497 9.852 1.00 0.00 C ATOM 763 O ALA A 50 1.904 10.014 10.975 1.00 0.00 O ATOM 764 CB ALA A 50 0.061 9.744 8.203 1.00 0.00 C ATOM 0 H ALA A 50 2.046 9.503 6.768 1.00 0.00 H new ATOM 0 HA ALA A 50 1.379 11.327 8.882 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.635 9.845 9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.305 10.319 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.142 8.694 7.923 1.00 0.00 H new ATOM 770 N LEU A 51 2.359 8.258 9.621 1.00 0.00 N ATOM 771 CA LEU A 51 2.769 7.330 10.663 1.00 0.00 C ATOM 772 C LEU A 51 4.096 7.744 11.312 1.00 0.00 C ATOM 773 O LEU A 51 4.260 7.569 12.517 1.00 0.00 O ATOM 774 CB LEU A 51 2.805 5.919 10.051 1.00 0.00 C ATOM 775 CG LEU A 51 2.946 4.794 11.087 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.752 4.715 12.034 1.00 0.00 C ATOM 777 CD2 LEU A 51 3.057 3.455 10.370 1.00 0.00 C ATOM 0 H LEU A 51 2.441 7.869 8.682 1.00 0.00 H new ATOM 0 HA LEU A 51 2.050 7.341 11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.892 5.759 9.478 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.637 5.859 9.349 1.00 0.00 H new ATOM 0 HG LEU A 51 3.839 5.015 11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.905 3.903 12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.653 5.657 12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.844 4.529 11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.157 2.656 11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.162 3.287 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.932 3.462 9.720 1.00 0.00 H new ATOM 789 N PHE A 52 5.007 8.368 10.560 1.00 0.00 N ATOM 790 CA PHE A 52 6.277 8.888 11.078 1.00 0.00 C ATOM 791 C PHE A 52 6.090 9.885 12.239 1.00 0.00 C ATOM 792 O PHE A 52 6.819 9.827 13.228 1.00 0.00 O ATOM 793 CB PHE A 52 7.072 9.509 9.924 1.00 0.00 C ATOM 794 CG PHE A 52 8.436 10.030 10.327 1.00 0.00 C ATOM 795 CD1 PHE A 52 9.373 9.168 10.931 1.00 0.00 C ATOM 796 CD2 PHE A 52 8.768 11.379 10.105 1.00 0.00 C ATOM 797 CE1 PHE A 52 10.628 9.658 11.330 1.00 0.00 C ATOM 798 CE2 PHE A 52 10.027 11.863 10.491 1.00 0.00 C ATOM 799 CZ PHE A 52 10.955 11.006 11.108 1.00 0.00 C ATOM 0 H PHE A 52 4.882 8.529 9.561 1.00 0.00 H new ATOM 0 HA PHE A 52 6.837 8.054 11.500 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.197 8.763 9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 52 6.493 10.328 9.497 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.126 8.128 11.088 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.054 12.041 9.638 1.00 0.00 H new ATOM 0 HE1 PHE A 52 11.340 9.000 11.806 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.284 12.897 10.314 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.920 11.384 11.412 1.00 0.00 H new ATOM 809 N GLU A 53 5.063 10.738 12.192 1.00 0.00 N ATOM 810 CA GLU A 53 4.760 11.723 13.248 1.00 0.00 C ATOM 811 C GLU A 53 4.209 11.102 14.555 1.00 0.00 C ATOM 812 O GLU A 53 4.146 11.781 15.585 1.00 0.00 O ATOM 813 CB GLU A 53 3.785 12.774 12.697 1.00 0.00 C ATOM 814 CG GLU A 53 4.407 13.632 11.580 1.00 0.00 C ATOM 815 CD GLU A 53 3.484 14.765 11.108 1.00 0.00 C ATOM 816 OE1 GLU A 53 2.621 15.229 11.894 1.00 0.00 O ATOM 817 OE2 GLU A 53 3.654 15.236 9.957 1.00 0.00 O ATOM 0 H GLU A 53 4.407 10.769 11.412 1.00 0.00 H new ATOM 0 HA GLU A 53 5.707 12.186 13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.896 12.273 12.313 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.459 13.423 13.510 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.344 14.059 11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.651 12.993 10.732 1.00 0.00 H new ATOM 824 N LYS A 54 3.817 9.821 14.514 1.00 0.00 N ATOM 825 CA LYS A 54 3.379 8.981 15.653 1.00 0.00 C ATOM 826 C LYS A 54 4.247 7.722 15.885 1.00 0.00 C ATOM 827 O LYS A 54 3.900 6.858 16.689 1.00 0.00 O ATOM 828 CB LYS A 54 1.859 8.719 15.557 1.00 0.00 C ATOM 829 CG LYS A 54 1.404 8.209 14.180 1.00 0.00 C ATOM 830 CD LYS A 54 -0.111 7.978 14.116 1.00 0.00 C ATOM 831 CE LYS A 54 -0.582 7.861 12.659 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.039 7.625 12.579 1.00 0.00 N ATOM 0 H LYS A 54 3.793 9.306 13.634 1.00 0.00 H new ATOM 0 HA LYS A 54 3.550 9.543 16.571 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.577 7.989 16.316 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.325 9.641 15.787 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.692 8.930 13.415 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.921 7.277 13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.369 7.070 14.661 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.630 8.802 14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.330 8.774 12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.052 7.044 12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.324 7.551 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.275 6.741 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.544 8.417 13.026 1.00 0.00 H new ATOM 846 N SER A 55 5.393 7.630 15.202 1.00 0.00 N ATOM 847 CA SER A 55 6.394 6.542 15.201 1.00 0.00 C ATOM 848 C SER A 55 7.177 6.341 16.517 1.00 0.00 C ATOM 849 O SER A 55 8.317 5.864 16.501 1.00 0.00 O ATOM 850 CB SER A 55 7.337 6.747 14.010 1.00 0.00 C ATOM 851 OG SER A 55 8.175 5.630 13.811 1.00 0.00 O ATOM 0 H SER A 55 5.676 8.383 14.575 1.00 0.00 H new ATOM 0 HA SER A 55 5.834 5.612 15.106 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.751 6.928 13.109 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.947 7.635 14.177 1.00 0.00 H new ATOM 0 HG SER A 55 8.532 5.331 14.673 1.00 0.00 H new ATOM 857 N SER A 56 6.632 6.768 17.658 1.00 0.00 N ATOM 858 CA SER A 56 7.336 6.921 18.944 1.00 0.00 C ATOM 859 C SER A 56 7.841 5.598 19.551 1.00 0.00 C ATOM 860 O SER A 56 8.619 5.610 20.504 1.00 0.00 O ATOM 861 CB SER A 56 6.426 7.660 19.932 1.00 0.00 C ATOM 862 OG SER A 56 5.793 8.770 19.309 1.00 0.00 O ATOM 0 H SER A 56 5.648 7.029 17.719 1.00 0.00 H new ATOM 0 HA SER A 56 8.236 7.503 18.743 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.671 6.976 20.318 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.012 8.002 20.785 1.00 0.00 H new ATOM 0 HG SER A 56 5.217 9.225 19.958 1.00 0.00 H new ATOM 868 N SER A 57 7.459 4.462 18.960 1.00 0.00 N ATOM 869 CA SER A 57 8.137 3.170 19.079 1.00 0.00 C ATOM 870 C SER A 57 8.205 2.479 17.715 1.00 0.00 C ATOM 871 O SER A 57 7.245 2.533 16.939 1.00 0.00 O ATOM 872 CB SER A 57 7.399 2.281 20.081 1.00 0.00 C ATOM 873 OG SER A 57 7.990 0.996 20.130 1.00 0.00 O ATOM 0 H SER A 57 6.635 4.417 18.361 1.00 0.00 H new ATOM 0 HA SER A 57 9.153 3.339 19.437 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.425 2.738 21.070 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.350 2.195 19.797 1.00 0.00 H new ATOM 0 HG SER A 57 7.508 0.439 20.777 1.00 0.00 H new ATOM 879 N LYS A 58 9.309 1.769 17.442 1.00 0.00 N ATOM 880 CA LYS A 58 9.438 0.880 16.273 1.00 0.00 C ATOM 881 C LYS A 58 8.359 -0.201 16.274 1.00 0.00 C ATOM 882 O LYS A 58 7.801 -0.480 15.216 1.00 0.00 O ATOM 883 CB LYS A 58 10.842 0.250 16.237 1.00 0.00 C ATOM 884 CG LYS A 58 11.108 -0.657 15.059 1.00 0.00 C ATOM 885 CD LYS A 58 12.562 -1.156 15.102 1.00 0.00 C ATOM 886 CE LYS A 58 12.821 -1.983 13.848 1.00 0.00 C ATOM 887 NZ LYS A 58 13.031 -3.416 14.161 1.00 0.00 N ATOM 0 H LYS A 58 10.144 1.794 18.028 1.00 0.00 H new ATOM 0 HA LYS A 58 9.300 1.480 15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.582 1.050 16.234 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.991 -0.319 17.155 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.423 -1.504 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.925 -0.121 14.128 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.251 -0.313 15.150 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.731 -1.757 15.995 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.977 -1.881 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.698 -1.593 13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.204 -3.942 13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.852 -3.517 14.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.185 -3.796 14.631 1.00 0.00 H new ATOM 901 N GLU A 59 8.018 -0.759 17.440 1.00 0.00 N ATOM 902 CA GLU A 59 6.953 -1.765 17.535 1.00 0.00 C ATOM 903 C GLU A 59 5.619 -1.214 17.038 1.00 0.00 C ATOM 904 O GLU A 59 4.955 -1.878 16.248 1.00 0.00 O ATOM 905 CB GLU A 59 6.744 -2.254 18.972 1.00 0.00 C ATOM 906 CG GLU A 59 7.936 -3.010 19.556 1.00 0.00 C ATOM 907 CD GLU A 59 7.528 -3.645 20.885 1.00 0.00 C ATOM 908 OE1 GLU A 59 6.969 -4.770 20.849 1.00 0.00 O ATOM 909 OE2 GLU A 59 7.713 -2.984 21.940 1.00 0.00 O ATOM 0 H GLU A 59 8.462 -0.532 18.330 1.00 0.00 H new ATOM 0 HA GLU A 59 7.279 -2.596 16.909 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.526 -1.396 19.608 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.868 -2.902 18.999 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.270 -3.779 18.860 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.774 -2.330 19.707 1.00 0.00 H new ATOM 916 N GLU A 60 5.246 0.001 17.453 1.00 0.00 N ATOM 917 CA GLU A 60 3.991 0.643 17.053 1.00 0.00 C ATOM 918 C GLU A 60 3.989 1.036 15.573 1.00 0.00 C ATOM 919 O GLU A 60 2.988 0.810 14.894 1.00 0.00 O ATOM 920 CB GLU A 60 3.728 1.896 17.905 1.00 0.00 C ATOM 921 CG GLU A 60 3.465 1.628 19.394 1.00 0.00 C ATOM 922 CD GLU A 60 2.212 0.776 19.641 1.00 0.00 C ATOM 923 OE1 GLU A 60 1.106 1.185 19.203 1.00 0.00 O ATOM 924 OE2 GLU A 60 2.308 -0.292 20.294 1.00 0.00 O ATOM 0 H GLU A 60 5.812 0.571 18.082 1.00 0.00 H new ATOM 0 HA GLU A 60 3.200 -0.089 17.214 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.586 2.562 17.818 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.870 2.425 17.490 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.330 1.124 19.825 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.358 2.580 19.915 1.00 0.00 H new ATOM 931 N TYR A 61 5.103 1.561 15.044 1.00 0.00 N ATOM 932 CA TYR A 61 5.232 1.840 13.610 1.00 0.00 C ATOM 933 C TYR A 61 5.027 0.556 12.793 1.00 0.00 C ATOM 934 O TYR A 61 4.162 0.503 11.921 1.00 0.00 O ATOM 935 CB TYR A 61 6.591 2.501 13.312 1.00 0.00 C ATOM 936 CG TYR A 61 6.794 2.849 11.843 1.00 0.00 C ATOM 937 CD1 TYR A 61 7.288 1.874 10.956 1.00 0.00 C ATOM 938 CD2 TYR A 61 6.456 4.128 11.353 1.00 0.00 C ATOM 939 CE1 TYR A 61 7.379 2.146 9.579 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.543 4.409 9.974 1.00 0.00 C ATOM 941 CZ TYR A 61 6.972 3.403 9.082 1.00 0.00 C ATOM 942 OH TYR A 61 6.984 3.649 7.747 1.00 0.00 O ATOM 0 H TYR A 61 5.930 1.801 15.591 1.00 0.00 H new ATOM 0 HA TYR A 61 4.454 2.543 13.313 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.681 3.410 13.907 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.389 1.830 13.631 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.599 0.912 11.335 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.129 4.896 12.038 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.760 1.394 8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.283 5.389 9.602 1.00 0.00 H new ATOM 0 HH TYR A 61 6.119 4.022 7.475 1.00 0.00 H new ATOM 952 N GLN A 62 5.754 -0.517 13.116 1.00 0.00 N ATOM 953 CA GLN A 62 5.677 -1.769 12.360 1.00 0.00 C ATOM 954 C GLN A 62 4.333 -2.495 12.562 1.00 0.00 C ATOM 955 O GLN A 62 3.766 -2.989 11.587 1.00 0.00 O ATOM 956 CB GLN A 62 6.908 -2.637 12.672 1.00 0.00 C ATOM 957 CG GLN A 62 8.202 -1.935 12.213 1.00 0.00 C ATOM 958 CD GLN A 62 9.333 -2.889 11.861 1.00 0.00 C ATOM 959 OE1 GLN A 62 9.885 -2.831 10.769 1.00 0.00 O ATOM 960 NE2 GLN A 62 9.754 -3.756 12.752 1.00 0.00 N ATOM 0 H GLN A 62 6.406 -0.543 13.900 1.00 0.00 H new ATOM 0 HA GLN A 62 5.701 -1.543 11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.957 -2.836 13.743 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.815 -3.601 12.173 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.979 -1.316 11.344 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.539 -1.264 13.003 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.300 -3.811 13.664 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.535 -4.374 12.533 1.00 0.00 H new ATOM 969 N LYS A 63 3.741 -2.461 13.768 1.00 0.00 N ATOM 970 CA LYS A 63 2.410 -3.027 14.043 1.00 0.00 C ATOM 971 C LYS A 63 1.303 -2.256 13.317 1.00 0.00 C ATOM 972 O LYS A 63 0.377 -2.875 12.800 1.00 0.00 O ATOM 973 CB LYS A 63 2.195 -3.051 15.568 1.00 0.00 C ATOM 974 CG LYS A 63 1.008 -3.879 16.070 1.00 0.00 C ATOM 975 CD LYS A 63 1.233 -5.393 15.909 1.00 0.00 C ATOM 976 CE LYS A 63 0.131 -6.221 16.582 1.00 0.00 C ATOM 977 NZ LYS A 63 0.221 -6.203 18.061 1.00 0.00 N ATOM 0 H LYS A 63 4.177 -2.036 14.586 1.00 0.00 H new ATOM 0 HA LYS A 63 2.361 -4.046 13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.102 -3.434 16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.067 -2.025 15.912 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.830 -3.652 17.121 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.110 -3.589 15.524 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.274 -5.641 14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.199 -5.662 16.337 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.843 -5.837 16.277 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.192 -7.251 16.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.526 -6.805 18.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.151 -6.563 18.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.101 -5.229 18.404 1.00 0.00 H new ATOM 991 N THR A 64 1.431 -0.932 13.181 1.00 0.00 N ATOM 992 CA THR A 64 0.458 -0.100 12.449 1.00 0.00 C ATOM 993 C THR A 64 0.609 -0.237 10.934 1.00 0.00 C ATOM 994 O THR A 64 -0.395 -0.310 10.226 1.00 0.00 O ATOM 995 CB THR A 64 0.556 1.380 12.831 1.00 0.00 C ATOM 996 OG1 THR A 64 0.531 1.558 14.228 1.00 0.00 O ATOM 997 CG2 THR A 64 -0.626 2.177 12.279 1.00 0.00 C ATOM 0 H THR A 64 2.210 -0.403 13.573 1.00 0.00 H new ATOM 0 HA THR A 64 -0.524 -0.473 12.742 1.00 0.00 H new ATOM 0 HB THR A 64 1.498 1.731 12.411 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.449 1.591 14.570 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.526 3.223 12.568 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.640 2.101 11.192 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.556 1.776 12.683 1.00 0.00 H new ATOM 1005 N MET A 65 1.839 -0.351 10.419 1.00 0.00 N ATOM 1006 CA MET A 65 2.059 -0.711 9.015 1.00 0.00 C ATOM 1007 C MET A 65 1.427 -2.077 8.715 1.00 0.00 C ATOM 1008 O MET A 65 0.604 -2.169 7.805 1.00 0.00 O ATOM 1009 CB MET A 65 3.555 -0.684 8.659 1.00 0.00 C ATOM 1010 CG MET A 65 4.140 0.725 8.559 1.00 0.00 C ATOM 1011 SD MET A 65 3.400 1.809 7.295 1.00 0.00 S ATOM 1012 CE MET A 65 3.980 1.059 5.751 1.00 0.00 C ATOM 0 H MET A 65 2.695 -0.199 10.953 1.00 0.00 H new ATOM 0 HA MET A 65 1.571 0.033 8.385 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.108 -1.244 9.412 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.702 -1.197 7.708 1.00 0.00 H new ATOM 0 HG2 MET A 65 4.037 1.209 9.530 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.208 0.640 8.357 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.526 1.573 4.904 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.065 1.146 5.689 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.699 0.006 5.730 1.00 0.00 H new ATOM 1022 N LYS A 66 1.683 -3.104 9.543 1.00 0.00 N ATOM 1023 CA LYS A 66 1.013 -4.415 9.454 1.00 0.00 C ATOM 1024 C LYS A 66 -0.516 -4.268 9.533 1.00 0.00 C ATOM 1025 O LYS A 66 -1.213 -4.845 8.709 1.00 0.00 O ATOM 1026 CB LYS A 66 1.597 -5.350 10.533 1.00 0.00 C ATOM 1027 CG LYS A 66 1.394 -6.863 10.324 1.00 0.00 C ATOM 1028 CD LYS A 66 -0.061 -7.341 10.361 1.00 0.00 C ATOM 1029 CE LYS A 66 -0.164 -8.851 10.606 1.00 0.00 C ATOM 1030 NZ LYS A 66 -1.577 -9.307 10.589 1.00 0.00 N ATOM 0 H LYS A 66 2.366 -3.048 10.299 1.00 0.00 H new ATOM 0 HA LYS A 66 1.206 -4.868 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.667 -5.158 10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.158 -5.078 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.826 -7.141 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.954 -7.397 11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.597 -6.809 11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.548 -7.093 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.401 -9.385 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.288 -9.097 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.661 -10.197 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.181 -8.583 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.880 -9.461 9.606 1.00 0.00 H new ATOM 1044 N SER A 67 -1.047 -3.440 10.436 1.00 0.00 N ATOM 1045 CA SER A 67 -2.488 -3.161 10.573 1.00 0.00 C ATOM 1046 C SER A 67 -3.132 -2.632 9.283 1.00 0.00 C ATOM 1047 O SER A 67 -4.201 -3.110 8.891 1.00 0.00 O ATOM 1048 CB SER A 67 -2.712 -2.152 11.708 1.00 0.00 C ATOM 1049 OG SER A 67 -4.090 -1.927 11.922 1.00 0.00 O ATOM 0 H SER A 67 -0.477 -2.930 11.111 1.00 0.00 H new ATOM 0 HA SER A 67 -2.970 -4.112 10.799 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.254 -2.523 12.625 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.220 -1.210 11.464 1.00 0.00 H new ATOM 0 HG SER A 67 -4.207 -1.282 12.651 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.497 -1.673 8.590 1.00 0.00 N ATOM 1056 CA LYS A 68 -2.994 -1.142 7.305 1.00 0.00 C ATOM 1057 C LYS A 68 -2.785 -2.131 6.154 1.00 0.00 C ATOM 1058 O LYS A 68 -3.674 -2.281 5.315 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.338 0.226 7.031 1.00 0.00 C ATOM 1060 CG LYS A 68 -2.809 0.930 5.741 1.00 0.00 C ATOM 1061 CD LYS A 68 -4.311 1.267 5.718 1.00 0.00 C ATOM 1062 CE LYS A 68 -4.654 2.070 4.454 1.00 0.00 C ATOM 1063 NZ LYS A 68 -6.102 2.377 4.374 1.00 0.00 N ATOM 0 H LYS A 68 -1.626 -1.243 8.902 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.072 -1.000 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.536 0.883 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.258 0.090 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.240 1.851 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.578 0.293 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.898 0.349 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.576 1.841 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.084 2.999 4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.353 1.506 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.294 2.920 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.644 1.490 4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.384 2.937 5.203 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.653 -2.841 6.135 1.00 0.00 N ATOM 1078 CA ILE A 69 -1.350 -3.870 5.129 1.00 0.00 C ATOM 1079 C ILE A 69 -2.335 -5.041 5.233 1.00 0.00 C ATOM 1080 O ILE A 69 -2.841 -5.477 4.210 1.00 0.00 O ATOM 1081 CB ILE A 69 0.125 -4.331 5.231 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.085 -3.178 4.854 1.00 0.00 C ATOM 1083 CG2 ILE A 69 0.397 -5.522 4.291 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.546 -3.415 5.261 1.00 0.00 C ATOM 0 H ILE A 69 -0.911 -2.718 6.824 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.476 -3.432 4.139 1.00 0.00 H new ATOM 0 HB ILE A 69 0.299 -4.635 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.041 -3.022 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.733 -2.260 5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.440 -5.826 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.250 -6.356 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.193 -5.227 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.151 -2.560 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.607 -3.540 6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.919 -4.314 4.770 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.674 -5.521 6.430 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.585 -6.656 6.638 1.00 0.00 C ATOM 1098 C ASP A 70 -5.055 -6.303 6.346 1.00 0.00 C ATOM 1099 O ASP A 70 -5.793 -7.131 5.805 1.00 0.00 O ATOM 1100 CB ASP A 70 -3.400 -7.175 8.069 1.00 0.00 C ATOM 1101 CG ASP A 70 -4.062 -8.530 8.313 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -3.526 -9.555 7.822 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -5.047 -8.589 9.088 1.00 0.00 O ATOM 0 H ASP A 70 -2.318 -5.127 7.301 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.331 -7.441 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.334 -7.256 8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.812 -6.447 8.768 1.00 0.00 H new ATOM 1108 N ALA A 71 -5.464 -5.054 6.607 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.743 -4.521 6.136 1.00 0.00 C ATOM 1110 C ALA A 71 -6.801 -4.500 4.598 1.00 0.00 C ATOM 1111 O ALA A 71 -7.759 -5.005 4.010 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.958 -3.121 6.726 1.00 0.00 C ATOM 0 H ALA A 71 -4.916 -4.388 7.151 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.549 -5.172 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.910 -2.721 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.967 -3.182 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.149 -2.463 6.407 1.00 0.00 H new ATOM 1118 N MET A 72 -5.746 -4.005 3.936 1.00 0.00 N ATOM 1119 CA MET A 72 -5.638 -4.010 2.472 1.00 0.00 C ATOM 1120 C MET A 72 -5.484 -5.420 1.882 1.00 0.00 C ATOM 1121 O MET A 72 -6.029 -5.685 0.818 1.00 0.00 O ATOM 1122 CB MET A 72 -4.489 -3.090 2.028 1.00 0.00 C ATOM 1123 CG MET A 72 -4.901 -1.615 2.070 1.00 0.00 C ATOM 1124 SD MET A 72 -6.125 -1.189 0.797 1.00 0.00 S ATOM 1125 CE MET A 72 -6.432 0.550 1.191 1.00 0.00 C ATOM 0 H MET A 72 -4.941 -3.588 4.404 1.00 0.00 H new ATOM 0 HA MET A 72 -6.579 -3.626 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.626 -3.246 2.675 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.181 -3.354 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.311 -1.385 3.053 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.016 -0.992 1.940 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.165 0.957 0.495 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.814 0.631 2.209 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.502 1.112 1.107 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.832 -6.358 2.578 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.731 -7.781 2.206 1.00 0.00 C ATOM 1137 C ARG A 73 -6.096 -8.470 2.272 1.00 0.00 C ATOM 1138 O ARG A 73 -6.442 -9.223 1.363 1.00 0.00 O ATOM 1139 CB ARG A 73 -3.686 -8.462 3.098 1.00 0.00 C ATOM 1140 CG ARG A 73 -3.251 -9.825 2.539 1.00 0.00 C ATOM 1141 CD ARG A 73 -2.186 -10.468 3.437 1.00 0.00 C ATOM 1142 NE ARG A 73 -0.938 -9.683 3.552 1.00 0.00 N ATOM 1143 CZ ARG A 73 -0.065 -9.399 2.600 1.00 0.00 C ATOM 1144 NH1 ARG A 73 -0.151 -9.881 1.394 1.00 0.00 N ATOM 1145 NH2 ARG A 73 0.927 -8.604 2.856 1.00 0.00 N ATOM 0 H ARG A 73 -4.342 -6.144 3.446 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.402 -7.865 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.814 -7.815 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.096 -8.595 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.115 -10.485 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.856 -9.700 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.605 -10.612 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.946 -11.457 3.046 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.724 -9.316 4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.917 -10.508 1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.548 -9.632 0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.031 -8.202 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.604 -8.381 2.126 1.00 0.00 H new ATOM 1159 N SER A 74 -6.900 -8.132 3.281 1.00 0.00 N ATOM 1160 CA SER A 74 -8.302 -8.560 3.393 1.00 0.00 C ATOM 1161 C SER A 74 -9.150 -7.984 2.249 1.00 0.00 C ATOM 1162 O SER A 74 -9.875 -8.730 1.587 1.00 0.00 O ATOM 1163 CB SER A 74 -8.893 -8.150 4.750 1.00 0.00 C ATOM 1164 OG SER A 74 -8.095 -8.607 5.831 1.00 0.00 O ATOM 0 H SER A 74 -6.594 -7.545 4.057 1.00 0.00 H new ATOM 0 HA SER A 74 -8.322 -9.647 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.980 -7.064 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.901 -8.555 4.845 1.00 0.00 H new ATOM 0 HG SER A 74 -7.270 -8.080 5.874 1.00 0.00 H new ATOM 1170 N THR A 75 -8.992 -6.687 1.949 1.00 0.00 N ATOM 1171 CA THR A 75 -9.681 -5.989 0.845 1.00 0.00 C ATOM 1172 C THR A 75 -9.260 -6.508 -0.532 1.00 0.00 C ATOM 1173 O THR A 75 -10.116 -6.680 -1.390 1.00 0.00 O ATOM 1174 CB THR A 75 -9.468 -4.466 0.943 1.00 0.00 C ATOM 1175 OG1 THR A 75 -10.019 -4.022 2.169 1.00 0.00 O ATOM 1176 CG2 THR A 75 -10.176 -3.675 -0.155 1.00 0.00 C ATOM 0 H THR A 75 -8.368 -6.077 2.477 1.00 0.00 H new ATOM 0 HA THR A 75 -10.745 -6.202 0.952 1.00 0.00 H new ATOM 0 HB THR A 75 -8.395 -4.296 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.415 -4.257 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.980 -2.611 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.804 -3.992 -1.129 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.249 -3.856 -0.100 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.986 -6.853 -0.755 1.00 0.00 N ATOM 1185 CA ARG A 76 -7.452 -7.461 -1.975 1.00 0.00 C ATOM 1186 C ARG A 76 -8.139 -8.792 -2.296 1.00 0.00 C ATOM 1187 O ARG A 76 -8.460 -9.060 -3.448 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.942 -7.586 -1.736 1.00 0.00 C ATOM 1189 CG ARG A 76 -5.254 -8.546 -2.688 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.747 -8.516 -2.450 1.00 0.00 C ATOM 1191 NE ARG A 76 -3.035 -9.515 -3.265 1.00 0.00 N ATOM 1192 CZ ARG A 76 -2.539 -10.676 -2.879 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -2.773 -11.232 -1.727 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -1.767 -11.331 -3.685 1.00 0.00 N ATOM 0 H ARG A 76 -7.263 -6.707 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.646 -6.854 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.485 -6.601 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.771 -7.918 -0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.635 -9.556 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.474 -8.271 -3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.364 -7.522 -2.681 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.544 -8.699 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.910 -9.281 -4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.377 -10.767 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.352 -12.133 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.549 -10.949 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.377 -12.229 -3.400 1.00 0.00 H new ATOM 1208 N ASP A 77 -8.426 -9.582 -1.265 1.00 0.00 N ATOM 1209 CA ASP A 77 -9.177 -10.840 -1.386 1.00 0.00 C ATOM 1210 C ASP A 77 -10.678 -10.585 -1.597 1.00 0.00 C ATOM 1211 O ASP A 77 -11.330 -11.289 -2.368 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.920 -11.739 -0.161 1.00 0.00 C ATOM 1213 CG ASP A 77 -7.840 -12.793 -0.414 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -7.884 -13.466 -1.473 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -6.906 -12.923 0.414 1.00 0.00 O ATOM 0 H ASP A 77 -8.143 -9.369 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.819 -11.365 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.624 -11.118 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.848 -12.237 0.120 1.00 0.00 H new ATOM 1220 N LYS A 78 -11.218 -9.512 -1.008 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.598 -9.066 -1.245 1.00 0.00 C ATOM 1222 C LYS A 78 -12.810 -8.656 -2.698 1.00 0.00 C ATOM 1223 O LYS A 78 -13.649 -9.232 -3.387 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.930 -7.920 -0.267 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.352 -7.932 0.305 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.584 -9.082 1.293 1.00 0.00 C ATOM 1227 CE LYS A 78 -15.849 -8.787 2.107 1.00 0.00 C ATOM 1228 NZ LYS A 78 -16.249 -9.942 2.941 1.00 0.00 N ATOM 0 H LYS A 78 -10.707 -8.924 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.282 -9.894 -1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.223 -7.957 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.771 -6.971 -0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.545 -6.984 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.068 -8.012 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.692 -10.025 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.725 -9.189 1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.676 -7.921 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.664 -8.528 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.108 -9.703 3.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.438 -10.762 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.482 -10.174 3.604 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.928 -7.803 -3.218 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.814 -7.476 -4.649 1.00 0.00 C ATOM 1244 C ARG A 79 -11.591 -8.717 -5.520 1.00 0.00 C ATOM 1245 O ARG A 79 -11.955 -8.682 -6.692 1.00 0.00 O ATOM 1246 CB ARG A 79 -10.664 -6.471 -4.871 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.853 -5.094 -4.211 1.00 0.00 C ATOM 1248 CD ARG A 79 -12.030 -4.311 -4.817 1.00 0.00 C ATOM 1249 NE ARG A 79 -12.118 -2.928 -4.307 1.00 0.00 N ATOM 1250 CZ ARG A 79 -11.382 -1.893 -4.677 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -10.466 -1.955 -5.596 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -11.525 -0.721 -4.136 1.00 0.00 N ATOM 0 H ARG A 79 -11.251 -7.303 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.762 -7.032 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.741 -6.912 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.533 -6.326 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.020 -5.226 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.938 -4.512 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.925 -4.288 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.961 -4.835 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.823 -2.752 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.283 -2.837 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.930 -1.122 -5.839 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.221 -0.579 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.942 0.057 -4.444 1.00 0.00 H new ATOM 1266 N LYS A 80 -11.042 -9.819 -4.987 1.00 0.00 N ATOM 1267 CA LYS A 80 -10.831 -11.061 -5.757 1.00 0.00 C ATOM 1268 C LYS A 80 -12.127 -11.860 -5.902 1.00 0.00 C ATOM 1269 O LYS A 80 -12.488 -12.234 -7.020 1.00 0.00 O ATOM 1270 CB LYS A 80 -9.659 -11.878 -5.176 1.00 0.00 C ATOM 1271 CG LYS A 80 -9.283 -13.059 -6.086 1.00 0.00 C ATOM 1272 CD LYS A 80 -8.053 -13.834 -5.590 1.00 0.00 C ATOM 1273 CE LYS A 80 -6.763 -13.026 -5.776 1.00 0.00 C ATOM 1274 NZ LYS A 80 -5.583 -13.771 -5.284 1.00 0.00 N ATOM 0 H LYS A 80 -10.733 -9.878 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.540 -10.794 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.793 -11.229 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.930 -12.251 -4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.131 -13.741 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.089 -12.687 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.179 -14.081 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.974 -14.777 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.630 -12.787 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.845 -12.079 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.727 -13.197 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.700 -13.977 -4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.492 -14.663 -5.810 1.00 0.00 H new ATOM 1288 N ARG A 81 -12.868 -12.035 -4.800 1.00 0.00 N ATOM 1289 CA ARG A 81 -14.147 -12.774 -4.744 1.00 0.00 C ATOM 1290 C ARG A 81 -15.351 -11.983 -5.242 1.00 0.00 C ATOM 1291 O ARG A 81 -16.344 -12.570 -5.661 1.00 0.00 O ATOM 1292 CB ARG A 81 -14.386 -13.344 -3.336 1.00 0.00 C ATOM 1293 CG ARG A 81 -13.290 -14.342 -2.923 1.00 0.00 C ATOM 1294 CD ARG A 81 -13.658 -15.138 -1.662 1.00 0.00 C ATOM 1295 NE ARG A 81 -13.960 -14.268 -0.512 1.00 0.00 N ATOM 1296 CZ ARG A 81 -13.101 -13.707 0.320 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -11.820 -13.920 0.274 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -13.522 -12.891 1.237 1.00 0.00 N ATOM 0 H ARG A 81 -12.591 -11.657 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 81 -14.045 -13.601 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.422 -12.527 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.357 -13.839 -3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.107 -15.035 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.360 -13.802 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.522 -15.768 -1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.834 -15.803 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.947 -14.077 -0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.432 -14.548 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.202 -13.460 0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -14.517 -12.682 1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.858 -12.458 1.879 1.00 0.00 H new ATOM 1312 N GLU A 82 -15.231 -10.663 -5.267 1.00 0.00 N ATOM 1313 CA GLU A 82 -16.115 -9.742 -5.995 1.00 0.00 C ATOM 1314 C GLU A 82 -15.674 -9.519 -7.458 1.00 0.00 C ATOM 1315 O GLU A 82 -16.353 -8.806 -8.202 1.00 0.00 O ATOM 1316 CB GLU A 82 -16.243 -8.398 -5.256 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.905 -8.493 -3.873 1.00 0.00 C ATOM 1318 CD GLU A 82 -17.295 -7.096 -3.373 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -16.418 -6.202 -3.266 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -18.506 -6.844 -3.155 1.00 0.00 O ATOM 0 H GLU A 82 -14.488 -10.178 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 82 -17.095 -10.218 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -15.249 -7.965 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -16.820 -7.711 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.790 -9.127 -3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.221 -8.962 -3.166 1.00 0.00 H new ATOM 1327 N SER A 83 -14.566 -10.130 -7.903 1.00 0.00 N ATOM 1328 CA SER A 83 -14.226 -10.222 -9.337 1.00 0.00 C ATOM 1329 C SER A 83 -14.675 -11.557 -9.937 1.00 0.00 C ATOM 1330 O SER A 83 -15.368 -11.552 -10.953 1.00 0.00 O ATOM 1331 CB SER A 83 -12.745 -9.943 -9.607 1.00 0.00 C ATOM 1332 OG SER A 83 -12.436 -8.610 -9.242 1.00 0.00 O ATOM 0 H SER A 83 -13.883 -10.572 -7.287 1.00 0.00 H new ATOM 0 HA SER A 83 -14.783 -9.434 -9.843 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.125 -10.638 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.521 -10.103 -10.662 1.00 0.00 H new ATOM 0 HG SER A 83 -12.496 -8.515 -8.268 1.00 0.00 H new