USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 739 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 109 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -12.3! C(o=-12!,f=-8.9!) USER MOD Set 2.1: A 7 GLN : amide:sc= -0.0244 X(o=-0.053,f=-0.22) USER MOD Set 2.2: A 81 SER OG : rot -179:sc= -0.0284 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 116:sc= -0.798! USER MOD Single : A 12 HIS : no HD1:sc= -4.58! K(o=-4.6!,f=-3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -14.6! C(o=-15!,f=-18!) USER MOD Single : A 18 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 37 THR OG1 : rot 35:sc= 0.0685 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 45 GLN : amide:sc= -0.081 K(o=-0.081,f=-0.7) USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= -1.29 (180deg=-3.53!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 148:sc= -1.93! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.67! C(o=-3.7!,f=-6.5!) USER MOD Single : A 65 THR OG1 : rot 86:sc= -2.55! USER MOD Single : A 68 SER OG : rot -73:sc= -6.23! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.741 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 57:sc= -5.56! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.36) USER MOD Single : A 87 MET CE :methyl -155:sc= -3.83 (180deg=-7.97!) USER MOD Single : A 88 GLN : amide:sc= -0.381 K(o=-0.38,f=-3.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 115:sc= 0.876 USER MOD Single : A 96 TYR OH : rot 30:sc= -0.403 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot -53:sc= -3.18! USER MOD Single : A 111 SER OG : rot 165:sc= -0.417 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.500 5.913 1.527 1.00 0.00 N ATOM 93 CA GLN A 7 16.112 6.351 1.193 1.00 0.00 C ATOM 94 C GLN A 7 15.314 5.190 0.595 1.00 0.00 C ATOM 95 O GLN A 7 15.467 4.842 -0.559 1.00 0.00 O ATOM 96 CB GLN A 7 16.269 7.479 0.172 1.00 0.00 C ATOM 97 CG GLN A 7 15.198 8.541 0.431 1.00 0.00 C ATOM 98 CD GLN A 7 15.680 9.896 -0.091 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.236 9.983 -1.168 1.00 0.00 O ATOM 100 NE2 GLN A 7 15.489 10.965 0.633 1.00 0.00 N ATOM 0 HA GLN A 7 15.570 6.684 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.263 7.920 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.172 7.086 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.267 8.261 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.987 8.606 1.498 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.022 10.892 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.806 11.873 0.295 1.00 0.00 H new ATOM 109 N VAL A 8 14.466 4.590 1.383 1.00 0.00 N ATOM 110 CA VAL A 8 13.644 3.445 0.890 1.00 0.00 C ATOM 111 C VAL A 8 12.656 3.896 -0.192 1.00 0.00 C ATOM 112 O VAL A 8 11.627 4.472 0.103 1.00 0.00 O ATOM 113 CB VAL A 8 12.873 2.949 2.121 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.258 4.139 2.862 1.00 0.00 C ATOM 115 CG2 VAL A 8 11.745 2.012 1.680 1.00 0.00 C ATOM 0 H VAL A 8 14.304 4.845 2.357 1.00 0.00 H new ATOM 0 HA VAL A 8 14.269 2.672 0.443 1.00 0.00 H new ATOM 0 HB VAL A 8 13.563 2.419 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.712 3.781 3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.049 4.817 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.574 4.667 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.200 1.662 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.064 2.548 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.167 1.158 1.150 1.00 0.00 H new ATOM 125 N LYS A 9 12.935 3.611 -1.438 1.00 0.00 N ATOM 126 CA LYS A 9 11.972 3.998 -2.510 1.00 0.00 C ATOM 127 C LYS A 9 10.896 2.916 -2.605 1.00 0.00 C ATOM 128 O LYS A 9 11.088 1.810 -2.142 1.00 0.00 O ATOM 129 CB LYS A 9 12.779 4.065 -3.807 1.00 0.00 C ATOM 130 CG LYS A 9 13.711 5.282 -3.769 1.00 0.00 C ATOM 131 CD LYS A 9 13.646 6.092 -5.082 1.00 0.00 C ATOM 132 CE LYS A 9 13.312 5.193 -6.280 1.00 0.00 C ATOM 133 NZ LYS A 9 14.271 5.594 -7.351 1.00 0.00 N ATOM 0 H LYS A 9 13.778 3.133 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 9 11.486 4.953 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.361 3.152 -3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.107 4.135 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.438 5.924 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.735 4.951 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.893 6.874 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.602 6.588 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.425 4.139 -6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.280 5.334 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.101 5.020 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.136 6.600 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.245 5.442 -7.020 1.00 0.00 H new ATOM 147 N ALA A 10 9.766 3.205 -3.188 1.00 0.00 N ATOM 148 CA ALA A 10 8.712 2.148 -3.274 1.00 0.00 C ATOM 149 C ALA A 10 7.443 2.666 -3.945 1.00 0.00 C ATOM 150 O ALA A 10 7.319 3.831 -4.257 1.00 0.00 O ATOM 151 CB ALA A 10 8.397 1.788 -1.819 1.00 0.00 C ATOM 0 H ALA A 10 9.526 4.106 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 10 9.059 1.301 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.629 1.015 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.300 1.419 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.038 2.674 -1.295 1.00 0.00 H new ATOM 157 N SER A 11 6.488 1.791 -4.123 1.00 0.00 N ATOM 158 CA SER A 11 5.181 2.180 -4.725 1.00 0.00 C ATOM 159 C SER A 11 4.076 1.669 -3.799 1.00 0.00 C ATOM 160 O SER A 11 4.368 1.092 -2.770 1.00 0.00 O ATOM 161 CB SER A 11 5.130 1.482 -6.084 1.00 0.00 C ATOM 162 OG SER A 11 4.390 0.275 -5.966 1.00 0.00 O ATOM 0 H SER A 11 6.562 0.805 -3.871 1.00 0.00 H new ATOM 0 HA SER A 11 5.057 3.256 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.667 2.135 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.140 1.270 -6.434 1.00 0.00 H new ATOM 0 HG SER A 11 3.578 0.335 -6.511 1.00 0.00 H new ATOM 168 N HIS A 12 2.819 1.859 -4.109 1.00 0.00 N ATOM 169 CA HIS A 12 1.796 1.340 -3.144 1.00 0.00 C ATOM 170 C HIS A 12 0.369 1.308 -3.708 1.00 0.00 C ATOM 171 O HIS A 12 0.050 1.926 -4.704 1.00 0.00 O ATOM 172 CB HIS A 12 1.877 2.293 -1.948 1.00 0.00 C ATOM 173 CG HIS A 12 1.134 3.564 -2.253 1.00 0.00 C ATOM 174 ND1 HIS A 12 0.538 4.324 -1.260 1.00 0.00 N ATOM 175 CD2 HIS A 12 0.882 4.223 -3.431 1.00 0.00 C ATOM 176 CE1 HIS A 12 -0.037 5.386 -1.851 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.142 5.374 -3.174 1.00 0.00 N ATOM 0 H HIS A 12 2.465 2.326 -4.944 1.00 0.00 H new ATOM 0 HA HIS A 12 2.009 0.301 -2.892 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.453 1.817 -1.064 1.00 0.00 H new ATOM 0 HB3 HIS A 12 2.919 2.517 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.208 3.898 -4.408 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.578 6.155 -1.320 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.192 6.060 -3.851 1.00 0.00 H new ATOM 185 N ILE A 13 -0.490 0.583 -3.029 1.00 0.00 N ATOM 186 CA ILE A 13 -1.922 0.466 -3.438 1.00 0.00 C ATOM 187 C ILE A 13 -2.780 0.309 -2.174 1.00 0.00 C ATOM 188 O ILE A 13 -2.260 0.187 -1.085 1.00 0.00 O ATOM 189 CB ILE A 13 -1.992 -0.803 -4.297 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.525 -0.477 -5.720 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.432 -1.328 -4.332 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.046 -1.535 -6.702 1.00 0.00 C ATOM 0 H ILE A 13 -0.249 0.056 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.284 1.336 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.346 -1.568 -3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.885 0.510 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.436 -0.442 -5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.476 -2.229 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.759 -1.561 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.086 -0.568 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.708 -1.294 -7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.665 -2.515 -6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.136 -1.549 -6.678 1.00 0.00 H new ATOM 204 N LEU A 14 -4.081 0.303 -2.297 1.00 0.00 N ATOM 205 CA LEU A 14 -4.936 0.141 -1.081 1.00 0.00 C ATOM 206 C LEU A 14 -6.216 -0.630 -1.423 1.00 0.00 C ATOM 207 O LEU A 14 -6.878 -0.348 -2.400 1.00 0.00 O ATOM 208 CB LEU A 14 -5.271 1.563 -0.635 1.00 0.00 C ATOM 209 CG LEU A 14 -6.299 1.517 0.499 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.588 1.715 1.840 1.00 0.00 C ATOM 211 CD2 LEU A 14 -7.338 2.625 0.289 1.00 0.00 C ATOM 0 H LEU A 14 -4.586 0.402 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.429 -0.423 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.367 2.072 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.666 2.135 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.802 0.550 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.319 1.682 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.854 0.922 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.084 2.682 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.071 2.594 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.840 3.595 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.842 2.475 -0.666 1.00 0.00 H new ATOM 223 N ILE A 15 -6.569 -1.599 -0.622 1.00 0.00 N ATOM 224 CA ILE A 15 -7.805 -2.386 -0.899 1.00 0.00 C ATOM 225 C ILE A 15 -8.931 -1.962 0.050 1.00 0.00 C ATOM 226 O ILE A 15 -10.083 -2.289 -0.153 1.00 0.00 O ATOM 227 CB ILE A 15 -7.409 -3.841 -0.650 1.00 0.00 C ATOM 228 CG1 ILE A 15 -6.389 -4.275 -1.706 1.00 0.00 C ATOM 229 CG2 ILE A 15 -8.649 -4.732 -0.742 1.00 0.00 C ATOM 230 CD1 ILE A 15 -6.064 -5.759 -1.525 1.00 0.00 C ATOM 0 H ILE A 15 -6.054 -1.880 0.213 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.175 -2.231 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.970 -3.935 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.787 -4.099 -2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.481 -3.680 -1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.366 -5.769 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.377 -4.421 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.089 -4.641 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.338 -6.067 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.648 -5.922 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.975 -6.347 -1.638 1.00 0.00 H new ATOM 242 N LYS A 16 -8.607 -1.231 1.084 1.00 0.00 N ATOM 243 CA LYS A 16 -9.660 -0.780 2.043 1.00 0.00 C ATOM 244 C LYS A 16 -10.231 -1.975 2.814 1.00 0.00 C ATOM 245 O LYS A 16 -10.445 -3.037 2.265 1.00 0.00 O ATOM 246 CB LYS A 16 -10.739 -0.136 1.170 1.00 0.00 C ATOM 247 CG LYS A 16 -11.536 0.871 2.002 1.00 0.00 C ATOM 248 CD LYS A 16 -12.541 0.126 2.880 1.00 0.00 C ATOM 249 CE LYS A 16 -13.862 0.896 2.908 1.00 0.00 C ATOM 250 NZ LYS A 16 -14.886 -0.109 3.304 1.00 0.00 N ATOM 0 H LYS A 16 -7.659 -0.926 1.306 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.269 -0.087 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.281 0.363 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.404 -0.902 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.861 1.460 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.057 1.569 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.702 -0.880 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.148 0.020 3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.823 1.721 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.088 1.327 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.821 0.345 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.906 -0.879 2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.648 -0.497 4.239 1.00 0.00 H new ATOM 264 N HIS A 17 -10.480 -1.807 4.085 1.00 0.00 N ATOM 265 CA HIS A 17 -11.039 -2.931 4.893 1.00 0.00 C ATOM 266 C HIS A 17 -11.450 -2.431 6.281 1.00 0.00 C ATOM 267 O HIS A 17 -11.932 -1.327 6.435 1.00 0.00 O ATOM 268 CB HIS A 17 -9.899 -3.946 5.003 1.00 0.00 C ATOM 269 CG HIS A 17 -8.829 -3.401 5.906 1.00 0.00 C ATOM 270 ND1 HIS A 17 -8.584 -3.926 7.166 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.933 -2.376 5.746 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.577 -3.219 7.710 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.142 -2.262 6.886 1.00 0.00 N ATOM 0 H HIS A 17 -10.321 -0.941 4.599 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.928 -3.366 4.436 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.275 -4.890 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.486 -4.154 4.016 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -9.077 -4.706 7.601 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.853 -1.751 4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.170 -3.403 8.693 1.00 0.00 H new ATOM 281 N GLN A 18 -11.262 -3.234 7.292 1.00 0.00 N ATOM 282 CA GLN A 18 -11.642 -2.799 8.667 1.00 0.00 C ATOM 283 C GLN A 18 -11.196 -1.355 8.905 1.00 0.00 C ATOM 284 O GLN A 18 -11.976 -0.428 8.808 1.00 0.00 O ATOM 285 CB GLN A 18 -10.899 -3.750 9.606 1.00 0.00 C ATOM 286 CG GLN A 18 -11.903 -4.680 10.293 1.00 0.00 C ATOM 287 CD GLN A 18 -12.386 -4.039 11.596 1.00 0.00 C ATOM 288 OE1 GLN A 18 -11.877 -4.337 12.659 1.00 0.00 O ATOM 289 NE2 GLN A 18 -13.356 -3.166 11.560 1.00 0.00 N ATOM 0 H GLN A 18 -10.863 -4.170 7.227 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.720 -2.831 8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.170 -4.335 9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.345 -3.181 10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.750 -4.869 9.633 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.439 -5.644 10.500 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.784 -2.915 10.669 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.686 -2.735 12.423 1.00 0.00 H new ATOM 298 N GLY A 19 -9.945 -1.158 9.213 1.00 0.00 N ATOM 299 CA GLY A 19 -9.443 0.226 9.456 1.00 0.00 C ATOM 300 C GLY A 19 -10.419 0.974 10.366 1.00 0.00 C ATOM 301 O GLY A 19 -11.269 0.381 11.000 1.00 0.00 O ATOM 0 H GLY A 19 -9.246 -1.895 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.456 0.190 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.334 0.756 8.510 1.00 0.00 H new ATOM 594 N THR A 37 -14.731 -7.028 3.859 1.00 0.00 N ATOM 595 CA THR A 37 -13.246 -6.909 3.801 1.00 0.00 C ATOM 596 C THR A 37 -12.711 -6.354 5.124 1.00 0.00 C ATOM 597 O THR A 37 -12.673 -5.159 5.336 1.00 0.00 O ATOM 598 CB THR A 37 -12.975 -5.933 2.655 1.00 0.00 C ATOM 599 OG1 THR A 37 -13.351 -6.535 1.424 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.486 -5.581 2.619 1.00 0.00 C ATOM 0 HA THR A 37 -12.756 -7.870 3.641 1.00 0.00 H new ATOM 0 HB THR A 37 -13.556 -5.023 2.809 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.136 -7.104 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.296 -4.886 1.801 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.199 -5.118 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.901 -6.488 2.467 1.00 0.00 H new ATOM 608 N THR A 38 -12.303 -7.214 6.018 1.00 0.00 N ATOM 609 CA THR A 38 -11.775 -6.736 7.328 1.00 0.00 C ATOM 610 C THR A 38 -10.279 -7.039 7.440 1.00 0.00 C ATOM 611 O THR A 38 -9.649 -7.472 6.495 1.00 0.00 O ATOM 612 CB THR A 38 -12.560 -7.518 8.382 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.853 -8.817 7.885 1.00 0.00 O ATOM 614 CG2 THR A 38 -13.864 -6.784 8.700 1.00 0.00 C ATOM 0 H THR A 38 -12.313 -8.227 5.898 1.00 0.00 H new ATOM 0 HA THR A 38 -11.890 -5.659 7.449 1.00 0.00 H new ATOM 0 HB THR A 38 -11.964 -7.602 9.291 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.355 -9.320 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 38 -14.422 -7.343 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.637 -5.789 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.463 -6.697 7.793 1.00 0.00 H new ATOM 622 N ARG A 39 -9.706 -6.816 8.592 1.00 0.00 N ATOM 623 CA ARG A 39 -8.251 -7.091 8.770 1.00 0.00 C ATOM 624 C ARG A 39 -7.874 -8.412 8.098 1.00 0.00 C ATOM 625 O ARG A 39 -7.271 -8.435 7.044 1.00 0.00 O ATOM 626 CB ARG A 39 -8.049 -7.181 10.282 1.00 0.00 C ATOM 627 CG ARG A 39 -7.149 -6.034 10.744 1.00 0.00 C ATOM 628 CD ARG A 39 -6.404 -6.447 12.014 1.00 0.00 C ATOM 629 NE ARG A 39 -5.225 -5.541 12.081 1.00 0.00 N ATOM 630 CZ ARG A 39 -4.359 -5.669 13.048 1.00 0.00 C ATOM 631 NH1 ARG A 39 -4.701 -5.375 14.274 1.00 0.00 N ATOM 632 NH2 ARG A 39 -3.151 -6.090 12.791 1.00 0.00 N ATOM 0 H ARG A 39 -10.183 -6.455 9.418 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.627 -6.319 8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.011 -7.131 10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.599 -8.139 10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.437 -5.778 9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.747 -5.143 10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.036 -6.338 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.097 -7.492 11.969 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.094 -4.820 11.371 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.645 -5.045 14.475 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.024 -5.475 15.030 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.884 -6.319 11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.474 -6.190 13.547 1.00 0.00 H new ATOM 646 N GLU A 40 -8.229 -9.511 8.699 1.00 0.00 N ATOM 647 CA GLU A 40 -7.897 -10.830 8.097 1.00 0.00 C ATOM 648 C GLU A 40 -8.192 -10.804 6.597 1.00 0.00 C ATOM 649 O GLU A 40 -7.308 -10.942 5.776 1.00 0.00 O ATOM 650 CB GLU A 40 -8.816 -11.820 8.808 1.00 0.00 C ATOM 651 CG GLU A 40 -8.525 -13.237 8.313 1.00 0.00 C ATOM 652 CD GLU A 40 -9.500 -14.219 8.966 1.00 0.00 C ATOM 653 OE1 GLU A 40 -10.191 -13.815 9.887 1.00 0.00 O ATOM 654 OE2 GLU A 40 -9.539 -15.360 8.534 1.00 0.00 O ATOM 0 H GLU A 40 -8.736 -9.553 9.583 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.846 -11.094 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.665 -11.762 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.859 -11.565 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.621 -13.281 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.499 -13.514 8.554 1.00 0.00 H new ATOM 661 N ALA A 41 -9.432 -10.624 6.236 1.00 0.00 N ATOM 662 CA ALA A 41 -9.788 -10.584 4.790 1.00 0.00 C ATOM 663 C ALA A 41 -8.808 -9.689 4.034 1.00 0.00 C ATOM 664 O ALA A 41 -8.129 -10.126 3.126 1.00 0.00 O ATOM 665 CB ALA A 41 -11.199 -9.998 4.745 1.00 0.00 C ATOM 0 H ALA A 41 -10.214 -10.503 6.879 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.744 -11.568 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.534 -9.936 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.877 -10.639 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.193 -9.001 5.185 1.00 0.00 H new ATOM 671 N ALA A 42 -8.724 -8.443 4.406 1.00 0.00 N ATOM 672 CA ALA A 42 -7.777 -7.525 3.713 1.00 0.00 C ATOM 673 C ALA A 42 -6.446 -8.239 3.501 1.00 0.00 C ATOM 674 O ALA A 42 -5.990 -8.410 2.388 1.00 0.00 O ATOM 675 CB ALA A 42 -7.612 -6.329 4.654 1.00 0.00 C ATOM 0 H ALA A 42 -9.268 -8.021 5.158 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.136 -7.210 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.926 -5.608 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.581 -5.856 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.211 -6.670 5.609 1.00 0.00 H new ATOM 681 N VAL A 43 -5.835 -8.681 4.560 1.00 0.00 N ATOM 682 CA VAL A 43 -4.548 -9.412 4.415 1.00 0.00 C ATOM 683 C VAL A 43 -4.726 -10.509 3.367 1.00 0.00 C ATOM 684 O VAL A 43 -4.004 -10.574 2.395 1.00 0.00 O ATOM 685 CB VAL A 43 -4.271 -10.000 5.805 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.422 -11.271 5.695 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.523 -8.965 6.649 1.00 0.00 C ATOM 0 H VAL A 43 -6.169 -8.569 5.517 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.721 -8.782 4.087 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.221 -10.253 6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.237 -11.672 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.953 -12.013 5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.472 -11.033 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.324 -9.378 7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.580 -8.713 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.132 -8.066 6.747 1.00 0.00 H new ATOM 697 N GLU A 44 -5.700 -11.357 3.550 1.00 0.00 N ATOM 698 CA GLU A 44 -5.942 -12.442 2.557 1.00 0.00 C ATOM 699 C GLU A 44 -6.000 -11.845 1.153 1.00 0.00 C ATOM 700 O GLU A 44 -5.311 -12.280 0.253 1.00 0.00 O ATOM 701 CB GLU A 44 -7.292 -13.046 2.946 1.00 0.00 C ATOM 702 CG GLU A 44 -7.065 -14.342 3.727 1.00 0.00 C ATOM 703 CD GLU A 44 -8.145 -15.360 3.355 1.00 0.00 C ATOM 704 OE1 GLU A 44 -9.129 -14.957 2.757 1.00 0.00 O ATOM 705 OE2 GLU A 44 -7.970 -16.524 3.675 1.00 0.00 O ATOM 0 H GLU A 44 -6.339 -11.346 4.345 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.154 -13.195 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.858 -12.338 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.884 -13.246 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.078 -14.746 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.092 -14.143 4.798 1.00 0.00 H new ATOM 712 N GLN A 45 -6.800 -10.837 0.961 1.00 0.00 N ATOM 713 CA GLN A 45 -6.869 -10.208 -0.384 1.00 0.00 C ATOM 714 C GLN A 45 -5.462 -9.767 -0.783 1.00 0.00 C ATOM 715 O GLN A 45 -5.084 -9.799 -1.939 1.00 0.00 O ATOM 716 CB GLN A 45 -7.793 -9.000 -0.219 1.00 0.00 C ATOM 717 CG GLN A 45 -8.966 -9.117 -1.194 1.00 0.00 C ATOM 718 CD GLN A 45 -10.258 -9.367 -0.413 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.251 -10.042 0.597 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.376 -8.847 -0.843 1.00 0.00 N ATOM 0 H GLN A 45 -7.405 -10.424 1.671 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.242 -10.881 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.162 -8.948 0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.241 -8.079 -0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.056 -8.204 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.789 -9.932 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.382 -8.280 -1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.243 -9.008 -0.331 1.00 0.00 H new ATOM 729 N LEU A 46 -4.681 -9.368 0.182 1.00 0.00 N ATOM 730 CA LEU A 46 -3.289 -8.933 -0.106 1.00 0.00 C ATOM 731 C LEU A 46 -2.364 -10.155 -0.169 1.00 0.00 C ATOM 732 O LEU A 46 -1.291 -10.105 -0.737 1.00 0.00 O ATOM 733 CB LEU A 46 -2.916 -8.019 1.061 1.00 0.00 C ATOM 734 CG LEU A 46 -3.327 -6.584 0.724 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.667 -6.267 1.390 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.264 -5.608 1.233 1.00 0.00 C ATOM 0 H LEU A 46 -4.951 -9.325 1.165 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.196 -8.420 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.416 -8.349 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.844 -8.069 1.250 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.422 -6.483 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.960 -5.245 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.427 -6.957 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.570 -6.372 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.561 -4.588 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.164 -5.710 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.309 -5.830 0.758 1.00 0.00 H new ATOM 748 N LYS A 47 -2.781 -11.257 0.397 1.00 0.00 N ATOM 749 CA LYS A 47 -1.934 -12.484 0.354 1.00 0.00 C ATOM 750 C LYS A 47 -1.773 -12.919 -1.103 1.00 0.00 C ATOM 751 O LYS A 47 -0.686 -12.925 -1.650 1.00 0.00 O ATOM 752 CB LYS A 47 -2.709 -13.538 1.155 1.00 0.00 C ATOM 753 CG LYS A 47 -2.585 -13.257 2.658 1.00 0.00 C ATOM 754 CD LYS A 47 -1.127 -12.958 3.018 1.00 0.00 C ATOM 755 CE LYS A 47 -0.219 -14.030 2.409 1.00 0.00 C ATOM 756 NZ LYS A 47 1.016 -14.029 3.247 1.00 0.00 N ATOM 0 H LYS A 47 -3.670 -11.360 0.886 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.937 -12.331 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.759 -13.529 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.323 -14.532 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.216 -12.411 2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.940 -14.116 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.844 -11.973 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.006 -12.937 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.702 -15.007 2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.013 -13.803 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.298 -15.009 3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.783 -13.548 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.829 -13.530 4.140 1.00 0.00 H new ATOM 770 N SER A 48 -2.857 -13.255 -1.744 1.00 0.00 N ATOM 771 CA SER A 48 -2.783 -13.657 -3.177 1.00 0.00 C ATOM 772 C SER A 48 -2.203 -12.499 -3.983 1.00 0.00 C ATOM 773 O SER A 48 -1.446 -12.692 -4.910 1.00 0.00 O ATOM 774 CB SER A 48 -4.230 -13.932 -3.589 1.00 0.00 C ATOM 775 OG SER A 48 -4.275 -15.104 -4.393 1.00 0.00 O ATOM 0 H SER A 48 -3.792 -13.269 -1.337 1.00 0.00 H new ATOM 0 HA SER A 48 -2.151 -14.529 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.854 -14.060 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.631 -13.082 -4.142 1.00 0.00 H new ATOM 0 HG SER A 48 -5.201 -15.284 -4.657 1.00 0.00 H new ATOM 781 N ILE A 49 -2.542 -11.290 -3.624 1.00 0.00 N ATOM 782 CA ILE A 49 -1.994 -10.119 -4.361 1.00 0.00 C ATOM 783 C ILE A 49 -0.483 -10.297 -4.528 1.00 0.00 C ATOM 784 O ILE A 49 0.027 -10.332 -5.626 1.00 0.00 O ATOM 785 CB ILE A 49 -2.358 -8.898 -3.494 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.277 -7.976 -4.298 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.107 -8.115 -3.070 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.467 -7.280 -5.393 1.00 0.00 C ATOM 0 H ILE A 49 -3.173 -11.065 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.399 -10.002 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.858 -9.253 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.090 -8.551 -4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.732 -7.235 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.402 -7.261 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.450 -8.765 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.580 -7.763 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.120 -6.623 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.670 -6.692 -4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.033 -8.029 -6.056 1.00 0.00 H new ATOM 800 N ARG A 50 0.235 -10.432 -3.450 1.00 0.00 N ATOM 801 CA ARG A 50 1.705 -10.631 -3.576 1.00 0.00 C ATOM 802 C ARG A 50 1.954 -11.717 -4.629 1.00 0.00 C ATOM 803 O ARG A 50 2.806 -11.591 -5.486 1.00 0.00 O ATOM 804 CB ARG A 50 2.178 -11.053 -2.171 1.00 0.00 C ATOM 805 CG ARG A 50 2.314 -12.579 -2.071 1.00 0.00 C ATOM 806 CD ARG A 50 2.841 -12.956 -0.683 1.00 0.00 C ATOM 807 NE ARG A 50 2.871 -14.446 -0.672 1.00 0.00 N ATOM 808 CZ ARG A 50 1.934 -15.114 -0.057 1.00 0.00 C ATOM 809 NH1 ARG A 50 0.822 -15.401 -0.678 1.00 0.00 N ATOM 810 NH2 ARG A 50 2.108 -15.493 1.180 1.00 0.00 N ATOM 0 H ARG A 50 -0.127 -10.414 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 50 2.247 -9.743 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.137 -10.584 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.469 -10.698 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.348 -13.053 -2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.993 -12.945 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.834 -12.540 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.193 -12.569 0.103 1.00 0.00 H new ATOM 0 HE ARG A 50 3.625 -14.944 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.686 -15.103 -1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.090 -15.923 -0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.976 -15.267 1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.376 -16.015 1.661 1.00 0.00 H new ATOM 824 N GLU A 51 1.183 -12.770 -4.577 1.00 0.00 N ATOM 825 CA GLU A 51 1.322 -13.866 -5.579 1.00 0.00 C ATOM 826 C GLU A 51 0.901 -13.331 -6.946 1.00 0.00 C ATOM 827 O GLU A 51 1.677 -13.265 -7.876 1.00 0.00 O ATOM 828 CB GLU A 51 0.356 -14.948 -5.070 1.00 0.00 C ATOM 829 CG GLU A 51 -0.332 -15.681 -6.228 1.00 0.00 C ATOM 830 CD GLU A 51 0.700 -16.079 -7.287 1.00 0.00 C ATOM 831 OE1 GLU A 51 1.843 -16.296 -6.920 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.330 -16.158 -8.447 1.00 0.00 O ATOM 0 H GLU A 51 0.456 -12.919 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 51 2.335 -14.253 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.902 -15.666 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.398 -14.491 -4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.842 -16.569 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.093 -15.040 -6.673 1.00 0.00 H new ATOM 839 N ASP A 52 -0.324 -12.938 -7.067 1.00 0.00 N ATOM 840 CA ASP A 52 -0.788 -12.385 -8.368 1.00 0.00 C ATOM 841 C ASP A 52 0.244 -11.366 -8.852 1.00 0.00 C ATOM 842 O ASP A 52 0.671 -11.386 -9.988 1.00 0.00 O ATOM 843 CB ASP A 52 -2.129 -11.710 -8.070 1.00 0.00 C ATOM 844 CG ASP A 52 -2.778 -11.259 -9.380 1.00 0.00 C ATOM 845 OD1 ASP A 52 -2.057 -11.099 -10.351 1.00 0.00 O ATOM 846 OD2 ASP A 52 -3.985 -11.082 -9.390 1.00 0.00 O ATOM 0 H ASP A 52 -1.027 -12.972 -6.329 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.902 -13.143 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.788 -12.402 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.979 -10.853 -7.413 1.00 0.00 H new ATOM 851 N ILE A 53 0.678 -10.498 -7.979 1.00 0.00 N ATOM 852 CA ILE A 53 1.719 -9.509 -8.370 1.00 0.00 C ATOM 853 C ILE A 53 2.981 -10.283 -8.736 1.00 0.00 C ATOM 854 O ILE A 53 3.746 -9.895 -9.597 1.00 0.00 O ATOM 855 CB ILE A 53 1.946 -8.654 -7.123 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.646 -7.927 -6.761 1.00 0.00 C ATOM 857 CG2 ILE A 53 3.051 -7.629 -7.395 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.415 -6.763 -7.728 1.00 0.00 C ATOM 0 H ILE A 53 0.356 -10.432 -7.013 1.00 0.00 H new ATOM 0 HA ILE A 53 1.439 -8.887 -9.220 1.00 0.00 H new ATOM 0 HB ILE A 53 2.247 -9.294 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.194 -8.621 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.699 -7.556 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.211 -7.021 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.975 -8.149 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.755 -6.987 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.510 -6.250 -7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.249 -6.064 -7.662 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.342 -7.145 -8.746 1.00 0.00 H new ATOM 870 N VAL A 54 3.177 -11.401 -8.092 1.00 0.00 N ATOM 871 CA VAL A 54 4.358 -12.252 -8.389 1.00 0.00 C ATOM 872 C VAL A 54 4.150 -12.930 -9.749 1.00 0.00 C ATOM 873 O VAL A 54 4.879 -12.690 -10.691 1.00 0.00 O ATOM 874 CB VAL A 54 4.396 -13.271 -7.235 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.916 -14.626 -7.720 1.00 0.00 C ATOM 876 CG2 VAL A 54 5.312 -12.754 -6.127 1.00 0.00 C ATOM 0 H VAL A 54 2.560 -11.763 -7.365 1.00 0.00 H new ATOM 0 HA VAL A 54 5.297 -11.702 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 54 3.382 -13.398 -6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.933 -15.328 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.261 -15.008 -8.503 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.925 -14.508 -8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.338 -13.476 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.318 -12.616 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.933 -11.801 -5.757 1.00 0.00 H new ATOM 886 N SER A 55 3.147 -13.758 -9.862 1.00 0.00 N ATOM 887 CA SER A 55 2.881 -14.430 -11.169 1.00 0.00 C ATOM 888 C SER A 55 1.803 -13.665 -11.938 1.00 0.00 C ATOM 889 O SER A 55 0.821 -13.226 -11.375 1.00 0.00 O ATOM 890 CB SER A 55 2.391 -15.834 -10.829 1.00 0.00 C ATOM 891 OG SER A 55 2.475 -16.044 -9.426 1.00 0.00 O ATOM 0 H SER A 55 2.502 -13.998 -9.110 1.00 0.00 H new ATOM 0 HA SER A 55 3.773 -14.461 -11.795 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.362 -15.962 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.992 -16.576 -11.354 1.00 0.00 H new ATOM 0 HG SER A 55 1.758 -16.649 -9.142 1.00 0.00 H new ATOM 897 N GLY A 56 1.974 -13.501 -13.216 1.00 0.00 N ATOM 898 CA GLY A 56 0.960 -12.762 -14.009 1.00 0.00 C ATOM 899 C GLY A 56 1.352 -11.290 -14.055 1.00 0.00 C ATOM 900 O GLY A 56 1.370 -10.611 -13.048 1.00 0.00 O ATOM 0 H GLY A 56 2.773 -13.847 -13.746 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.900 -13.169 -15.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.027 -12.876 -13.560 1.00 0.00 H new ATOM 904 N LYS A 57 1.676 -10.795 -15.212 1.00 0.00 N ATOM 905 CA LYS A 57 2.079 -9.364 -15.336 1.00 0.00 C ATOM 906 C LYS A 57 0.894 -8.444 -15.022 1.00 0.00 C ATOM 907 O LYS A 57 0.521 -7.601 -15.813 1.00 0.00 O ATOM 908 CB LYS A 57 2.514 -9.209 -16.792 1.00 0.00 C ATOM 909 CG LYS A 57 3.203 -7.856 -16.983 1.00 0.00 C ATOM 910 CD LYS A 57 4.670 -7.965 -16.559 1.00 0.00 C ATOM 911 CE LYS A 57 5.514 -6.997 -17.392 1.00 0.00 C ATOM 912 NZ LYS A 57 6.929 -7.426 -17.184 1.00 0.00 N ATOM 0 H LYS A 57 1.680 -11.321 -16.086 1.00 0.00 H new ATOM 0 HA LYS A 57 2.873 -9.094 -14.640 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.193 -10.016 -17.067 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.648 -9.283 -17.450 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.137 -7.546 -18.026 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.698 -7.092 -16.391 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.772 -7.733 -15.499 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.025 -8.986 -16.698 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.240 -7.044 -18.446 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.364 -5.967 -17.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.563 -6.805 -17.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.165 -7.364 -16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.045 -8.408 -17.507 1.00 0.00 H new ATOM 926 N ALA A 58 0.306 -8.601 -13.869 1.00 0.00 N ATOM 927 CA ALA A 58 -0.851 -7.745 -13.483 1.00 0.00 C ATOM 928 C ALA A 58 -0.444 -6.270 -13.463 1.00 0.00 C ATOM 929 O ALA A 58 -1.273 -5.385 -13.416 1.00 0.00 O ATOM 930 CB ALA A 58 -1.200 -8.210 -12.078 1.00 0.00 C ATOM 0 H ALA A 58 0.580 -9.292 -13.171 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.685 -7.831 -14.179 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.047 -7.635 -11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.461 -9.268 -12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.342 -8.061 -11.422 1.00 0.00 H new ATOM 936 N ASN A 59 0.834 -6.012 -13.489 1.00 0.00 N ATOM 937 CA ASN A 59 1.340 -4.609 -13.466 1.00 0.00 C ATOM 938 C ASN A 59 1.174 -4.012 -12.062 1.00 0.00 C ATOM 939 O ASN A 59 1.370 -4.689 -11.072 1.00 0.00 O ATOM 940 CB ASN A 59 0.491 -3.865 -14.489 1.00 0.00 C ATOM 941 CG ASN A 59 1.237 -2.622 -14.977 1.00 0.00 C ATOM 942 OD1 ASN A 59 0.687 -1.539 -15.004 1.00 0.00 O ATOM 943 ND2 ASN A 59 2.478 -2.732 -15.368 1.00 0.00 N ATOM 0 H ASN A 59 1.562 -6.726 -13.526 1.00 0.00 H new ATOM 0 HA ASN A 59 2.401 -4.542 -13.707 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.265 -4.519 -15.332 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.462 -3.577 -14.044 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.984 -1.909 -15.696 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.941 -3.641 -15.346 1.00 0.00 H new ATOM 950 N PHE A 60 0.826 -2.754 -11.956 1.00 0.00 N ATOM 951 CA PHE A 60 0.672 -2.150 -10.599 1.00 0.00 C ATOM 952 C PHE A 60 0.182 -0.699 -10.685 1.00 0.00 C ATOM 953 O PHE A 60 -0.701 -0.288 -9.958 1.00 0.00 O ATOM 954 CB PHE A 60 2.079 -2.199 -10.001 1.00 0.00 C ATOM 955 CG PHE A 60 2.016 -1.919 -8.519 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.800 -0.614 -8.062 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.180 -2.964 -7.601 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.749 -0.353 -6.687 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.128 -2.703 -6.227 1.00 0.00 C ATOM 960 CZ PHE A 60 1.912 -1.398 -5.770 1.00 0.00 C ATOM 0 H PHE A 60 0.644 -2.127 -12.740 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.065 -2.683 -9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.525 -3.178 -10.177 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.718 -1.465 -10.492 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.673 0.192 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.347 -3.971 -7.953 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.584 0.654 -6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.255 -3.509 -5.519 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.871 -1.197 -4.710 1.00 0.00 H new ATOM 970 N GLU A 61 0.762 0.083 -11.550 1.00 0.00 N ATOM 971 CA GLU A 61 0.349 1.517 -11.666 1.00 0.00 C ATOM 972 C GLU A 61 -1.172 1.652 -11.805 1.00 0.00 C ATOM 973 O GLU A 61 -1.873 1.809 -10.827 1.00 0.00 O ATOM 974 CB GLU A 61 1.063 2.063 -12.912 1.00 0.00 C ATOM 975 CG GLU A 61 1.140 0.990 -14.003 1.00 0.00 C ATOM 976 CD GLU A 61 0.853 1.625 -15.365 1.00 0.00 C ATOM 977 OE1 GLU A 61 1.078 2.817 -15.499 1.00 0.00 O ATOM 978 OE2 GLU A 61 0.416 0.909 -16.250 1.00 0.00 O ATOM 0 H GLU A 61 1.506 -0.205 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 61 0.622 2.076 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.530 2.936 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.068 2.393 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.128 0.529 -14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.419 0.198 -13.800 1.00 0.00 H new ATOM 985 N GLU A 62 -1.684 1.612 -13.009 1.00 0.00 N ATOM 986 CA GLU A 62 -3.161 1.755 -13.207 1.00 0.00 C ATOM 987 C GLU A 62 -3.920 1.029 -12.096 1.00 0.00 C ATOM 988 O GLU A 62 -4.830 1.570 -11.498 1.00 0.00 O ATOM 989 CB GLU A 62 -3.444 1.107 -14.564 1.00 0.00 C ATOM 990 CG GLU A 62 -4.547 1.884 -15.286 1.00 0.00 C ATOM 991 CD GLU A 62 -5.758 2.029 -14.363 1.00 0.00 C ATOM 992 OE1 GLU A 62 -5.799 2.996 -13.619 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.624 1.172 -14.415 1.00 0.00 O ATOM 0 H GLU A 62 -1.144 1.486 -13.865 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.481 2.797 -13.178 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.537 1.096 -15.169 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.747 0.069 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.181 2.868 -15.580 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.834 1.364 -16.200 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.549 -0.187 -11.803 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.252 -0.927 -10.719 1.00 0.00 C ATOM 1002 C VAL A 63 -4.248 -0.087 -9.446 1.00 0.00 C ATOM 1003 O VAL A 63 -5.216 -0.039 -8.716 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.448 -2.210 -10.517 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.936 -2.924 -9.254 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.643 -3.126 -11.726 1.00 0.00 C ATOM 0 H VAL A 63 -2.795 -0.697 -12.264 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.291 -1.143 -10.967 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.391 -1.965 -10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.363 -3.840 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.801 -2.271 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.992 -3.170 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.070 -4.042 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.700 -3.371 -11.830 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.298 -2.618 -12.627 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.163 0.582 -9.180 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.090 1.427 -7.958 1.00 0.00 C ATOM 1018 C ALA A 64 -3.983 2.659 -8.116 1.00 0.00 C ATOM 1019 O ALA A 64 -4.870 2.901 -7.326 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.622 1.841 -7.860 1.00 0.00 C ATOM 0 H ALA A 64 -2.322 0.580 -9.757 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.430 0.900 -7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.479 2.470 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.998 0.951 -7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.340 2.397 -8.754 1.00 0.00 H new ATOM 1026 N THR A 65 -3.746 3.440 -9.133 1.00 0.00 N ATOM 1027 CA THR A 65 -4.566 4.668 -9.352 1.00 0.00 C ATOM 1028 C THR A 65 -6.040 4.425 -9.007 1.00 0.00 C ATOM 1029 O THR A 65 -6.754 5.337 -8.643 1.00 0.00 O ATOM 1030 CB THR A 65 -4.412 4.984 -10.841 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.766 3.900 -11.494 1.00 0.00 O ATOM 1032 CG2 THR A 65 -3.579 6.255 -11.013 1.00 0.00 C ATOM 0 H THR A 65 -3.015 3.281 -9.827 1.00 0.00 H new ATOM 0 HA THR A 65 -4.236 5.489 -8.715 1.00 0.00 H new ATOM 0 HB THR A 65 -5.398 5.136 -11.281 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.432 3.228 -11.749 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.471 6.478 -12.074 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.078 7.087 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.594 6.107 -10.571 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.508 3.214 -9.126 1.00 0.00 N ATOM 1041 CA ARG A 66 -7.943 2.938 -8.811 1.00 0.00 C ATOM 1042 C ARG A 66 -8.105 2.432 -7.373 1.00 0.00 C ATOM 1043 O ARG A 66 -8.664 3.101 -6.526 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.361 1.855 -9.806 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.710 1.267 -9.387 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.783 2.359 -9.432 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.989 1.735 -8.818 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.928 1.245 -9.579 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -13.816 2.039 -10.112 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.979 -0.040 -9.805 1.00 0.00 N ATOM 0 H ARG A 66 -5.964 2.405 -9.426 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.554 3.837 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.432 2.276 -10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.606 1.070 -9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.983 0.447 -10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.641 0.852 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.470 3.244 -8.878 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.980 2.677 -10.456 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.080 1.691 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.776 3.042 -9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.551 1.656 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.285 -0.659 -9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.713 -0.424 -10.400 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.630 1.250 -7.102 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.759 0.673 -5.733 1.00 0.00 C ATOM 1066 C VAL A 67 -6.678 1.236 -4.810 1.00 0.00 C ATOM 1067 O VAL A 67 -5.845 0.515 -4.298 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.572 -0.832 -5.926 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.238 -1.094 -6.624 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.572 -1.526 -4.564 1.00 0.00 C ATOM 0 H VAL A 67 -7.153 0.652 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.717 0.913 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.388 -1.222 -6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.104 -2.167 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.232 -0.600 -7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.425 -0.702 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.439 -2.599 -4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.756 -1.134 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.521 -1.340 -4.061 1.00 0.00 H new ATOM 1080 N SER A 68 -6.684 2.519 -4.600 1.00 0.00 N ATOM 1081 CA SER A 68 -5.653 3.133 -3.711 1.00 0.00 C ATOM 1082 C SER A 68 -6.305 4.009 -2.637 1.00 0.00 C ATOM 1083 O SER A 68 -7.503 4.211 -2.623 1.00 0.00 O ATOM 1084 CB SER A 68 -4.813 3.997 -4.636 1.00 0.00 C ATOM 1085 OG SER A 68 -5.652 4.969 -5.233 1.00 0.00 O ATOM 0 H SER A 68 -7.356 3.172 -5.003 1.00 0.00 H new ATOM 0 HA SER A 68 -5.068 2.376 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.012 4.481 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.341 3.382 -5.403 1.00 0.00 H new ATOM 0 HG SER A 68 -6.222 4.541 -5.905 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.512 4.537 -1.742 1.00 0.00 N ATOM 1092 CA ASP A 69 -6.059 5.414 -0.664 1.00 0.00 C ATOM 1093 C ASP A 69 -6.564 6.731 -1.256 1.00 0.00 C ATOM 1094 O ASP A 69 -6.046 7.792 -0.972 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.881 5.665 0.277 1.00 0.00 C ATOM 1096 CG ASP A 69 -5.398 5.857 1.703 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -6.601 5.775 1.892 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -4.583 6.081 2.582 1.00 0.00 O ATOM 0 H ASP A 69 -4.502 4.398 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.903 4.956 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.188 4.825 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.328 6.549 -0.043 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.578 6.665 -2.072 1.00 0.00 N ATOM 1104 CA CYS A 70 -8.136 7.903 -2.688 1.00 0.00 C ATOM 1105 C CYS A 70 -7.014 8.780 -3.260 1.00 0.00 C ATOM 1106 O CYS A 70 -6.646 8.663 -4.416 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.856 8.623 -1.548 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.269 10.310 -2.060 1.00 0.00 S ATOM 0 H CYS A 70 -8.048 5.801 -2.341 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.806 7.679 -3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.763 8.082 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.222 8.646 -0.661 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.883 10.920 -1.090 1.00 0.00 H new ATOM 1114 N SER A 71 -6.464 9.654 -2.460 1.00 0.00 N ATOM 1115 CA SER A 71 -5.361 10.524 -2.956 1.00 0.00 C ATOM 1116 C SER A 71 -4.400 9.679 -3.776 1.00 0.00 C ATOM 1117 O SER A 71 -4.115 9.968 -4.921 1.00 0.00 O ATOM 1118 CB SER A 71 -4.681 11.042 -1.694 1.00 0.00 C ATOM 1119 OG SER A 71 -3.633 11.933 -2.051 1.00 0.00 O ATOM 0 H SER A 71 -6.731 9.802 -1.487 1.00 0.00 H new ATOM 0 HA SER A 71 -5.706 11.341 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.407 11.552 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.283 10.209 -1.115 1.00 0.00 H new ATOM 0 HG SER A 71 -3.197 12.267 -1.239 1.00 0.00 H new ATOM 1125 N SER A 72 -3.919 8.619 -3.203 1.00 0.00 N ATOM 1126 CA SER A 72 -2.996 7.734 -3.957 1.00 0.00 C ATOM 1127 C SER A 72 -3.630 7.385 -5.303 1.00 0.00 C ATOM 1128 O SER A 72 -2.951 7.238 -6.286 1.00 0.00 O ATOM 1129 CB SER A 72 -2.822 6.493 -3.091 1.00 0.00 C ATOM 1130 OG SER A 72 -3.996 6.299 -2.319 1.00 0.00 O ATOM 0 H SER A 72 -4.123 8.326 -2.248 1.00 0.00 H new ATOM 0 HA SER A 72 -2.032 8.201 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.635 5.621 -3.717 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.957 6.608 -2.438 1.00 0.00 H new ATOM 0 HG SER A 72 -4.771 6.229 -2.914 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.929 7.294 -5.383 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.537 7.007 -6.714 1.00 0.00 C ATOM 1138 C ALA A 73 -4.948 8.004 -7.699 1.00 0.00 C ATOM 1139 O ALA A 73 -4.650 7.689 -8.833 1.00 0.00 O ATOM 1140 CB ALA A 73 -7.039 7.221 -6.546 1.00 0.00 C ATOM 0 H ALA A 73 -5.582 7.402 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.344 5.997 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.543 7.025 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.420 6.541 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.228 8.250 -6.241 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.736 9.205 -7.237 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.112 10.242 -8.101 1.00 0.00 C ATOM 1148 C LYS A 74 -2.627 9.888 -8.264 1.00 0.00 C ATOM 1149 O LYS A 74 -2.007 10.156 -9.274 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.290 11.552 -7.326 1.00 0.00 C ATOM 1151 CG LYS A 74 -3.874 12.732 -8.206 1.00 0.00 C ATOM 1152 CD LYS A 74 -5.041 13.713 -8.330 1.00 0.00 C ATOM 1153 CE LYS A 74 -5.979 13.252 -9.449 1.00 0.00 C ATOM 1154 NZ LYS A 74 -7.058 14.277 -9.496 1.00 0.00 N ATOM 0 H LYS A 74 -4.970 9.513 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.550 10.316 -9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.329 11.665 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.688 11.533 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.008 13.234 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.578 12.377 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.584 13.770 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.667 14.714 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.454 13.188 -10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.384 12.262 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.740 14.029 -10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.545 14.311 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.644 15.208 -9.703 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.078 9.262 -7.257 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.647 8.833 -7.278 1.00 0.00 C ATOM 1170 C ARG A 75 -0.578 7.309 -7.105 1.00 0.00 C ATOM 1171 O ARG A 75 0.098 6.802 -6.232 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.034 9.523 -6.060 1.00 0.00 C ATOM 1173 CG ARG A 75 0.042 11.027 -6.312 1.00 0.00 C ATOM 1174 CD ARG A 75 0.716 11.713 -5.122 1.00 0.00 C ATOM 1175 NE ARG A 75 -0.028 12.991 -4.949 1.00 0.00 N ATOM 1176 CZ ARG A 75 0.449 14.096 -5.456 1.00 0.00 C ATOM 1177 NH1 ARG A 75 1.705 14.403 -5.286 1.00 0.00 N ATOM 1178 NH2 ARG A 75 -0.332 14.893 -6.134 1.00 0.00 N ATOM 0 H ARG A 75 -2.574 9.024 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.133 9.088 -8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.636 9.322 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.962 9.125 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.604 11.225 -7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.959 11.432 -6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.658 11.097 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.773 11.894 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.909 13.003 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.315 13.780 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.077 15.266 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.314 14.652 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.040 15.756 -6.530 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.309 6.578 -7.907 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.329 5.094 -7.766 1.00 0.00 C ATOM 1194 C GLY A 76 0.039 4.523 -8.101 1.00 0.00 C ATOM 1195 O GLY A 76 0.386 3.432 -7.696 1.00 0.00 O ATOM 0 H GLY A 76 -1.895 6.948 -8.656 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.607 4.821 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.083 4.667 -8.428 1.00 0.00 H new ATOM 1199 N GLY A 77 0.819 5.248 -8.839 1.00 0.00 N ATOM 1200 CA GLY A 77 2.165 4.738 -9.199 1.00 0.00 C ATOM 1201 C GLY A 77 2.955 4.435 -7.927 1.00 0.00 C ATOM 1202 O GLY A 77 2.840 3.371 -7.336 1.00 0.00 O ATOM 0 H GLY A 77 0.586 6.170 -9.209 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.073 3.837 -9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.695 5.475 -9.802 1.00 0.00 H new ATOM 1206 N ASP A 78 3.766 5.358 -7.501 1.00 0.00 N ATOM 1207 CA ASP A 78 4.577 5.113 -6.282 1.00 0.00 C ATOM 1208 C ASP A 78 4.962 6.431 -5.604 1.00 0.00 C ATOM 1209 O ASP A 78 4.728 7.503 -6.126 1.00 0.00 O ATOM 1210 CB ASP A 78 5.817 4.394 -6.816 1.00 0.00 C ATOM 1211 CG ASP A 78 6.727 5.399 -7.525 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.497 5.653 -8.696 1.00 0.00 O ATOM 1213 OD2 ASP A 78 7.638 5.900 -6.885 1.00 0.00 O ATOM 0 H ASP A 78 3.902 6.268 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 78 4.042 4.537 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.354 3.917 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.523 3.604 -7.507 1.00 0.00 H new ATOM 1218 N LEU A 79 5.576 6.356 -4.451 1.00 0.00 N ATOM 1219 CA LEU A 79 6.000 7.613 -3.754 1.00 0.00 C ATOM 1220 C LEU A 79 7.323 8.069 -4.360 1.00 0.00 C ATOM 1221 O LEU A 79 7.490 9.204 -4.761 1.00 0.00 O ATOM 1222 CB LEU A 79 6.195 7.292 -2.250 1.00 0.00 C ATOM 1223 CG LEU A 79 5.599 5.929 -1.869 1.00 0.00 C ATOM 1224 CD1 LEU A 79 6.662 4.846 -2.028 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.141 5.950 -0.410 1.00 0.00 C ATOM 0 H LEU A 79 5.802 5.489 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 79 5.253 8.399 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.259 7.301 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.728 8.072 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 79 4.750 5.722 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.239 3.879 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.000 4.817 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.507 5.067 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.719 4.980 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.993 6.162 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.384 6.723 -0.277 1.00 0.00 H new ATOM 1237 N GLY A 80 8.261 7.170 -4.428 1.00 0.00 N ATOM 1238 CA GLY A 80 9.588 7.491 -5.003 1.00 0.00 C ATOM 1239 C GLY A 80 10.657 7.105 -3.998 1.00 0.00 C ATOM 1240 O GLY A 80 11.223 6.036 -4.064 1.00 0.00 O ATOM 0 H GLY A 80 8.159 6.209 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.736 6.951 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.653 8.554 -5.235 1.00 0.00 H new ATOM 1244 N SER A 81 10.931 7.967 -3.065 1.00 0.00 N ATOM 1245 CA SER A 81 11.975 7.651 -2.053 1.00 0.00 C ATOM 1246 C SER A 81 11.687 8.338 -0.715 1.00 0.00 C ATOM 1247 O SER A 81 11.145 9.424 -0.658 1.00 0.00 O ATOM 1248 CB SER A 81 13.267 8.185 -2.654 1.00 0.00 C ATOM 1249 OG SER A 81 13.497 9.507 -2.185 1.00 0.00 O ATOM 0 H SER A 81 10.480 8.875 -2.958 1.00 0.00 H new ATOM 0 HA SER A 81 12.018 6.583 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.102 7.540 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.204 8.180 -3.742 1.00 0.00 H new ATOM 0 HG SER A 81 14.322 9.857 -2.583 1.00 0.00 H new ATOM 1255 N PHE A 82 12.070 7.704 0.357 1.00 0.00 N ATOM 1256 CA PHE A 82 11.857 8.284 1.714 1.00 0.00 C ATOM 1257 C PHE A 82 12.640 7.446 2.725 1.00 0.00 C ATOM 1258 O PHE A 82 13.252 6.464 2.366 1.00 0.00 O ATOM 1259 CB PHE A 82 10.353 8.182 1.968 1.00 0.00 C ATOM 1260 CG PHE A 82 9.881 6.785 1.646 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.578 6.433 0.325 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.749 5.840 2.670 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.144 5.137 0.028 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.313 4.544 2.373 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.011 4.192 1.051 1.00 0.00 C ATOM 0 H PHE A 82 12.529 6.793 0.351 1.00 0.00 H new ATOM 0 HA PHE A 82 12.195 9.317 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.132 8.421 3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.820 8.908 1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.679 7.163 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.984 6.111 3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.912 4.866 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.209 3.815 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.676 3.191 0.822 1.00 0.00 H new ATOM 1275 N GLY A 83 12.644 7.804 3.976 1.00 0.00 N ATOM 1276 CA GLY A 83 13.412 6.981 4.950 1.00 0.00 C ATOM 1277 C GLY A 83 13.094 7.408 6.381 1.00 0.00 C ATOM 1278 O GLY A 83 12.044 7.111 6.914 1.00 0.00 O ATOM 0 H GLY A 83 12.160 8.614 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.168 5.927 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.480 7.087 4.762 1.00 0.00 H new ATOM 1282 N ARG A 84 14.006 8.093 7.008 1.00 0.00 N ATOM 1283 CA ARG A 84 13.777 8.533 8.412 1.00 0.00 C ATOM 1284 C ARG A 84 12.581 9.482 8.484 1.00 0.00 C ATOM 1285 O ARG A 84 12.731 10.680 8.615 1.00 0.00 O ATOM 1286 CB ARG A 84 15.066 9.249 8.813 1.00 0.00 C ATOM 1287 CG ARG A 84 16.022 8.248 9.470 1.00 0.00 C ATOM 1288 CD ARG A 84 16.222 7.042 8.546 1.00 0.00 C ATOM 1289 NE ARG A 84 17.626 6.607 8.784 1.00 0.00 N ATOM 1290 CZ ARG A 84 17.933 5.338 8.759 1.00 0.00 C ATOM 1291 NH1 ARG A 84 17.130 4.482 8.187 1.00 0.00 N ATOM 1292 NH2 ARG A 84 19.043 4.925 9.306 1.00 0.00 N ATOM 0 H ARG A 84 14.903 8.369 6.608 1.00 0.00 H new ATOM 0 HA ARG A 84 13.551 7.699 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.535 9.695 7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.843 10.063 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.981 8.726 9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.619 7.921 10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.516 6.245 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.064 7.313 7.502 1.00 0.00 H new ATOM 0 HE ARG A 84 18.350 7.302 8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.262 4.804 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.371 3.491 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.671 5.593 9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.283 3.934 9.287 1.00 0.00 H new ATOM 1306 N GLY A 85 11.392 8.952 8.402 1.00 0.00 N ATOM 1307 CA GLY A 85 10.184 9.819 8.467 1.00 0.00 C ATOM 1308 C GLY A 85 9.173 9.365 7.415 1.00 0.00 C ATOM 1309 O GLY A 85 9.198 8.240 6.958 1.00 0.00 O ATOM 0 H GLY A 85 11.205 7.955 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.739 9.767 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.460 10.859 8.296 1.00 0.00 H new ATOM 1313 N GLN A 86 8.284 10.236 7.027 1.00 0.00 N ATOM 1314 CA GLN A 86 7.267 9.863 6.001 1.00 0.00 C ATOM 1315 C GLN A 86 6.513 8.611 6.411 1.00 0.00 C ATOM 1316 O GLN A 86 6.849 7.947 7.371 1.00 0.00 O ATOM 1317 CB GLN A 86 8.052 9.534 4.735 1.00 0.00 C ATOM 1318 CG GLN A 86 8.514 10.811 4.041 1.00 0.00 C ATOM 1319 CD GLN A 86 7.340 11.782 3.912 1.00 0.00 C ATOM 1320 OE1 GLN A 86 6.429 11.552 3.142 1.00 0.00 O ATOM 1321 NE2 GLN A 86 7.322 12.864 4.639 1.00 0.00 N ATOM 0 H GLN A 86 8.217 11.192 7.376 1.00 0.00 H new ATOM 0 HA GLN A 86 6.550 10.673 5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.915 8.918 4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.430 8.950 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.320 11.274 4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.914 10.576 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.087 13.057 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.543 13.518 4.561 1.00 0.00 H new ATOM 1330 N MET A 87 5.532 8.270 5.628 1.00 0.00 N ATOM 1331 CA MET A 87 4.744 7.032 5.861 1.00 0.00 C ATOM 1332 C MET A 87 4.719 6.632 7.339 1.00 0.00 C ATOM 1333 O MET A 87 4.805 5.468 7.675 1.00 0.00 O ATOM 1334 CB MET A 87 5.502 6.001 5.037 1.00 0.00 C ATOM 1335 CG MET A 87 4.735 5.713 3.750 1.00 0.00 C ATOM 1336 SD MET A 87 5.919 5.474 2.405 1.00 0.00 S ATOM 1337 CE MET A 87 6.678 7.116 2.483 1.00 0.00 C ATOM 0 H MET A 87 5.236 8.812 4.816 1.00 0.00 H new ATOM 0 HA MET A 87 3.695 7.141 5.584 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.500 6.370 4.803 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.628 5.083 5.611 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.117 4.824 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.063 6.539 3.518 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.104 7.366 1.511 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.921 7.854 2.749 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.466 7.117 3.236 1.00 0.00 H new ATOM 1347 N GLN A 88 4.601 7.581 8.223 1.00 0.00 N ATOM 1348 CA GLN A 88 4.572 7.240 9.673 1.00 0.00 C ATOM 1349 C GLN A 88 5.648 6.191 9.990 1.00 0.00 C ATOM 1350 O GLN A 88 6.685 6.145 9.359 1.00 0.00 O ATOM 1351 CB GLN A 88 3.169 6.681 9.917 1.00 0.00 C ATOM 1352 CG GLN A 88 2.133 7.780 9.666 1.00 0.00 C ATOM 1353 CD GLN A 88 1.235 7.378 8.495 1.00 0.00 C ATOM 1354 OE1 GLN A 88 1.497 6.402 7.820 1.00 0.00 O ATOM 1355 NE2 GLN A 88 0.181 8.097 8.220 1.00 0.00 N ATOM 0 H GLN A 88 4.524 8.575 8.007 1.00 0.00 H new ATOM 0 HA GLN A 88 4.779 8.100 10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.983 5.833 9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.085 6.313 10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.532 7.939 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.634 8.723 9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.039 8.916 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.422 7.840 7.439 1.00 0.00 H new ATOM 1364 N LYS A 89 5.419 5.363 10.973 1.00 0.00 N ATOM 1365 CA LYS A 89 6.436 4.336 11.344 1.00 0.00 C ATOM 1366 C LYS A 89 6.124 2.928 10.782 1.00 0.00 C ATOM 1367 O LYS A 89 7.034 2.136 10.627 1.00 0.00 O ATOM 1368 CB LYS A 89 6.400 4.305 12.872 1.00 0.00 C ATOM 1369 CG LYS A 89 7.773 3.896 13.408 1.00 0.00 C ATOM 1370 CD LYS A 89 7.815 4.111 14.922 1.00 0.00 C ATOM 1371 CE LYS A 89 9.177 4.688 15.317 1.00 0.00 C ATOM 1372 NZ LYS A 89 8.908 5.533 16.514 1.00 0.00 N ATOM 0 H LYS A 89 4.569 5.353 11.537 1.00 0.00 H new ATOM 0 HA LYS A 89 7.409 4.595 10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.124 5.286 13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.640 3.602 13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.970 2.850 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.554 4.484 12.925 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.018 4.790 15.226 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.644 3.167 15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.889 3.896 15.546 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.605 5.278 14.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.796 5.963 16.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.232 6.283 16.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.507 4.944 17.272 1.00 0.00 H new ATOM 1386 N PRO A 90 4.870 2.624 10.514 1.00 0.00 N ATOM 1387 CA PRO A 90 4.535 1.267 10.008 1.00 0.00 C ATOM 1388 C PRO A 90 5.016 1.063 8.566 1.00 0.00 C ATOM 1389 O PRO A 90 5.959 0.337 8.322 1.00 0.00 O ATOM 1390 CB PRO A 90 3.013 1.206 10.103 1.00 0.00 C ATOM 1391 CG PRO A 90 2.561 2.628 10.059 1.00 0.00 C ATOM 1392 CD PRO A 90 3.671 3.469 10.637 1.00 0.00 C ATOM 0 HA PRO A 90 5.023 0.479 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.590 0.633 9.278 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.695 0.720 11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.343 2.930 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.643 2.757 10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.786 4.405 10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.473 3.729 11.677 1.00 0.00 H new ATOM 1400 N PHE A 91 4.373 1.675 7.608 1.00 0.00 N ATOM 1401 CA PHE A 91 4.799 1.483 6.188 1.00 0.00 C ATOM 1402 C PHE A 91 6.323 1.489 6.066 1.00 0.00 C ATOM 1403 O PHE A 91 6.922 0.532 5.627 1.00 0.00 O ATOM 1404 CB PHE A 91 4.200 2.661 5.409 1.00 0.00 C ATOM 1405 CG PHE A 91 4.599 2.557 3.947 1.00 0.00 C ATOM 1406 CD1 PHE A 91 5.948 2.647 3.565 1.00 0.00 C ATOM 1407 CD2 PHE A 91 3.619 2.343 2.970 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.310 2.525 2.230 1.00 0.00 C ATOM 1409 CE2 PHE A 91 3.989 2.228 1.623 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.334 2.318 1.255 1.00 0.00 C ATOM 0 H PHE A 91 3.576 2.296 7.744 1.00 0.00 H new ATOM 0 HA PHE A 91 4.456 0.523 5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.114 2.657 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.552 3.604 5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.708 2.812 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.580 2.267 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.350 2.591 1.946 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.233 2.070 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.618 2.227 0.217 1.00 0.00 H new ATOM 1420 N GLU A 92 6.952 2.575 6.411 1.00 0.00 N ATOM 1421 CA GLU A 92 8.437 2.650 6.274 1.00 0.00 C ATOM 1422 C GLU A 92 9.085 1.345 6.730 1.00 0.00 C ATOM 1423 O GLU A 92 9.732 0.660 5.962 1.00 0.00 O ATOM 1424 CB GLU A 92 8.863 3.812 7.172 1.00 0.00 C ATOM 1425 CG GLU A 92 10.328 4.163 6.898 1.00 0.00 C ATOM 1426 CD GLU A 92 11.182 3.820 8.122 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.631 3.311 9.084 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.375 4.073 8.075 1.00 0.00 O ATOM 0 H GLU A 92 6.506 3.414 6.782 1.00 0.00 H new ATOM 0 HA GLU A 92 8.745 2.803 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.230 4.680 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.733 3.541 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.686 3.613 6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.420 5.224 6.665 1.00 0.00 H new ATOM 1435 N GLU A 93 8.912 0.989 7.967 1.00 0.00 N ATOM 1436 CA GLU A 93 9.516 -0.280 8.459 1.00 0.00 C ATOM 1437 C GLU A 93 9.117 -1.435 7.534 1.00 0.00 C ATOM 1438 O GLU A 93 9.750 -2.471 7.508 1.00 0.00 O ATOM 1439 CB GLU A 93 8.938 -0.470 9.866 1.00 0.00 C ATOM 1440 CG GLU A 93 9.033 -1.943 10.271 1.00 0.00 C ATOM 1441 CD GLU A 93 10.476 -2.422 10.102 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.355 -1.578 10.040 1.00 0.00 O ATOM 1443 OE2 GLU A 93 10.677 -3.623 10.037 1.00 0.00 O ATOM 0 H GLU A 93 8.381 1.518 8.659 1.00 0.00 H new ATOM 0 HA GLU A 93 10.606 -0.254 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.483 0.149 10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.898 -0.143 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.715 -2.069 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.364 -2.545 9.656 1.00 0.00 H new ATOM 1450 N ALA A 94 8.071 -1.259 6.771 1.00 0.00 N ATOM 1451 CA ALA A 94 7.624 -2.335 5.840 1.00 0.00 C ATOM 1452 C ALA A 94 8.561 -2.426 4.640 1.00 0.00 C ATOM 1453 O ALA A 94 9.113 -3.467 4.343 1.00 0.00 O ATOM 1454 CB ALA A 94 6.235 -1.897 5.374 1.00 0.00 C ATOM 0 H ALA A 94 7.504 -0.411 6.753 1.00 0.00 H new ATOM 0 HA ALA A 94 7.618 -3.313 6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.833 -2.637 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.573 -1.808 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.307 -0.933 4.871 1.00 0.00 H new ATOM 1460 N THR A 95 8.738 -1.341 3.945 1.00 0.00 N ATOM 1461 CA THR A 95 9.632 -1.360 2.756 1.00 0.00 C ATOM 1462 C THR A 95 11.075 -1.562 3.206 1.00 0.00 C ATOM 1463 O THR A 95 11.918 -2.010 2.453 1.00 0.00 O ATOM 1464 CB THR A 95 9.449 0.008 2.096 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.062 0.305 2.004 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.064 -0.017 0.695 1.00 0.00 C ATOM 0 H THR A 95 8.303 -0.441 4.148 1.00 0.00 H new ATOM 0 HA THR A 95 9.396 -2.169 2.064 1.00 0.00 H new ATOM 0 HB THR A 95 9.944 0.773 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.855 1.077 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.934 0.957 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.127 -0.246 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.569 -0.780 0.094 1.00 0.00 H new ATOM 1474 N TYR A 96 11.361 -1.248 4.436 1.00 0.00 N ATOM 1475 CA TYR A 96 12.744 -1.438 4.948 1.00 0.00 C ATOM 1476 C TYR A 96 12.935 -2.902 5.346 1.00 0.00 C ATOM 1477 O TYR A 96 14.040 -3.399 5.441 1.00 0.00 O ATOM 1478 CB TYR A 96 12.833 -0.535 6.177 1.00 0.00 C ATOM 1479 CG TYR A 96 13.429 0.798 5.791 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.791 0.897 5.483 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.616 1.937 5.743 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.341 2.135 5.127 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.165 3.175 5.387 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.527 3.274 5.080 1.00 0.00 C ATOM 1485 OH TYR A 96 15.068 4.495 4.729 1.00 0.00 O ATOM 0 H TYR A 96 10.696 -0.868 5.110 1.00 0.00 H new ATOM 0 HA TYR A 96 13.509 -1.194 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.841 -0.390 6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.445 -1.009 6.944 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.418 0.018 5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.565 1.861 5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.392 2.211 4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.538 4.053 5.349 1.00 0.00 H new ATOM 0 HH TYR A 96 15.820 4.356 4.116 1.00 0.00 H new ATOM 1495 N ALA A 97 11.852 -3.586 5.592 1.00 0.00 N ATOM 1496 CA ALA A 97 11.935 -5.016 6.002 1.00 0.00 C ATOM 1497 C ALA A 97 11.848 -5.950 4.788 1.00 0.00 C ATOM 1498 O ALA A 97 12.615 -6.884 4.660 1.00 0.00 O ATOM 1499 CB ALA A 97 10.723 -5.225 6.911 1.00 0.00 C ATOM 0 H ALA A 97 10.905 -3.212 5.526 1.00 0.00 H new ATOM 0 HA ALA A 97 12.881 -5.240 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.705 -6.257 7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.789 -4.553 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.810 -5.014 6.354 1.00 0.00 H new ATOM 1505 N LEU A 98 10.909 -5.725 3.906 1.00 0.00 N ATOM 1506 CA LEU A 98 10.773 -6.627 2.722 1.00 0.00 C ATOM 1507 C LEU A 98 11.506 -6.058 1.507 1.00 0.00 C ATOM 1508 O LEU A 98 11.778 -4.877 1.425 1.00 0.00 O ATOM 1509 CB LEU A 98 9.270 -6.699 2.450 1.00 0.00 C ATOM 1510 CG LEU A 98 9.007 -7.595 1.238 1.00 0.00 C ATOM 1511 CD1 LEU A 98 7.722 -8.391 1.459 1.00 0.00 C ATOM 1512 CD2 LEU A 98 8.855 -6.726 -0.012 1.00 0.00 C ATOM 0 H LEU A 98 10.234 -4.961 3.953 1.00 0.00 H new ATOM 0 HA LEU A 98 11.209 -7.608 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.751 -7.092 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.875 -5.699 2.268 1.00 0.00 H new ATOM 0 HG LEU A 98 9.843 -8.283 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.536 -9.029 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.826 -9.009 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.886 -7.704 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.668 -7.362 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.019 -6.040 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.770 -6.156 -0.172 1.00 0.00 H new ATOM 1524 N LYS A 99 11.816 -6.898 0.557 1.00 0.00 N ATOM 1525 CA LYS A 99 12.518 -6.424 -0.668 1.00 0.00 C ATOM 1526 C LYS A 99 11.666 -6.734 -1.902 1.00 0.00 C ATOM 1527 O LYS A 99 10.714 -7.486 -1.836 1.00 0.00 O ATOM 1528 CB LYS A 99 13.827 -7.210 -0.706 1.00 0.00 C ATOM 1529 CG LYS A 99 14.860 -6.437 -1.528 1.00 0.00 C ATOM 1530 CD LYS A 99 16.178 -6.368 -0.755 1.00 0.00 C ATOM 1531 CE LYS A 99 17.090 -5.318 -1.393 1.00 0.00 C ATOM 1532 NZ LYS A 99 17.533 -4.455 -0.263 1.00 0.00 N ATOM 0 H LYS A 99 11.612 -7.897 0.578 1.00 0.00 H new ATOM 0 HA LYS A 99 12.695 -5.349 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.198 -7.370 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.660 -8.194 -1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.015 -6.926 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.495 -5.431 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.987 -6.114 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.667 -7.342 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.940 -5.784 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.558 -4.738 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.163 -3.709 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.703 -4.020 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.043 -5.032 0.436 1.00 0.00 H new ATOM 1546 N VAL A 100 11.994 -6.157 -3.023 1.00 0.00 N ATOM 1547 CA VAL A 100 11.193 -6.413 -4.256 1.00 0.00 C ATOM 1548 C VAL A 100 11.121 -7.916 -4.557 1.00 0.00 C ATOM 1549 O VAL A 100 10.284 -8.366 -5.314 1.00 0.00 O ATOM 1550 CB VAL A 100 11.929 -5.649 -5.369 1.00 0.00 C ATOM 1551 CG1 VAL A 100 12.896 -6.573 -6.123 1.00 0.00 C ATOM 1552 CG2 VAL A 100 10.901 -5.086 -6.349 1.00 0.00 C ATOM 0 H VAL A 100 12.781 -5.519 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 100 10.160 -6.081 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 100 12.506 -4.842 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 100 13.404 -6.008 -6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.633 -6.973 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.338 -7.394 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.414 -4.542 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.326 -5.904 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.228 -4.409 -5.822 1.00 0.00 H new ATOM 1562 N GLY A 101 11.997 -8.692 -3.983 1.00 0.00 N ATOM 1563 CA GLY A 101 11.980 -10.158 -4.252 1.00 0.00 C ATOM 1564 C GLY A 101 10.817 -10.812 -3.505 1.00 0.00 C ATOM 1565 O GLY A 101 10.414 -11.915 -3.814 1.00 0.00 O ATOM 0 H GLY A 101 12.723 -8.376 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.883 -10.339 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.923 -10.605 -3.937 1.00 0.00 H new ATOM 1569 N ASP A 102 10.276 -10.148 -2.522 1.00 0.00 N ATOM 1570 CA ASP A 102 9.144 -10.747 -1.760 1.00 0.00 C ATOM 1571 C ASP A 102 7.852 -9.964 -2.008 1.00 0.00 C ATOM 1572 O ASP A 102 6.766 -10.477 -1.826 1.00 0.00 O ATOM 1573 CB ASP A 102 9.554 -10.644 -0.290 1.00 0.00 C ATOM 1574 CG ASP A 102 10.097 -11.995 0.184 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.462 -12.795 -0.661 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.138 -12.206 1.386 1.00 0.00 O ATOM 0 H ASP A 102 10.567 -9.220 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 102 8.951 -11.776 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.313 -9.871 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.698 -10.350 0.318 1.00 0.00 H new ATOM 1581 N ILE A 103 7.963 -8.726 -2.410 1.00 0.00 N ATOM 1582 CA ILE A 103 6.742 -7.901 -2.656 1.00 0.00 C ATOM 1583 C ILE A 103 5.906 -7.819 -1.377 1.00 0.00 C ATOM 1584 O ILE A 103 5.532 -8.821 -0.801 1.00 0.00 O ATOM 1585 CB ILE A 103 5.970 -8.621 -3.766 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.659 -8.367 -5.107 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.537 -8.086 -3.828 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.825 -8.980 -6.235 1.00 0.00 C ATOM 0 H ILE A 103 8.848 -8.248 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 103 6.988 -6.880 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 103 5.950 -9.691 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.778 -7.296 -5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.659 -8.802 -5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.991 -8.600 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.042 -8.260 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.557 -7.016 -4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.317 -8.799 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.729 -10.054 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.835 -8.525 -6.244 1.00 0.00 H new ATOM 1600 N SER A 104 5.616 -6.630 -0.926 1.00 0.00 N ATOM 1601 CA SER A 104 4.809 -6.477 0.321 1.00 0.00 C ATOM 1602 C SER A 104 3.672 -7.500 0.346 1.00 0.00 C ATOM 1603 O SER A 104 2.737 -7.424 -0.426 1.00 0.00 O ATOM 1604 CB SER A 104 4.249 -5.058 0.260 1.00 0.00 C ATOM 1605 OG SER A 104 2.886 -5.073 0.662 1.00 0.00 O ATOM 0 H SER A 104 5.903 -5.756 -1.366 1.00 0.00 H new ATOM 0 HA SER A 104 5.405 -6.642 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.825 -4.399 0.910 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.337 -4.663 -0.752 1.00 0.00 H new ATOM 0 HG SER A 104 2.395 -5.731 0.128 1.00 0.00 H new ATOM 1611 N ASP A 105 3.750 -8.460 1.225 1.00 0.00 N ATOM 1612 CA ASP A 105 2.678 -9.492 1.299 1.00 0.00 C ATOM 1613 C ASP A 105 1.370 -8.870 1.786 1.00 0.00 C ATOM 1614 O ASP A 105 0.353 -8.940 1.125 1.00 0.00 O ATOM 1615 CB ASP A 105 3.189 -10.521 2.308 1.00 0.00 C ATOM 1616 CG ASP A 105 4.610 -10.945 1.932 1.00 0.00 C ATOM 1617 OD1 ASP A 105 4.938 -10.874 0.759 1.00 0.00 O ATOM 1618 OD2 ASP A 105 5.346 -11.334 2.824 1.00 0.00 O ATOM 0 H ASP A 105 4.510 -8.575 1.896 1.00 0.00 H new ATOM 0 HA ASP A 105 2.471 -9.939 0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 105 3.179 -10.097 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.531 -11.390 2.322 1.00 0.00 H new ATOM 1623 N ILE A 106 1.386 -8.269 2.940 1.00 0.00 N ATOM 1624 CA ILE A 106 0.138 -7.651 3.472 1.00 0.00 C ATOM 1625 C ILE A 106 0.460 -6.431 4.343 1.00 0.00 C ATOM 1626 O ILE A 106 0.923 -6.555 5.460 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.529 -8.750 4.303 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.512 -9.403 5.235 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.129 -9.795 3.356 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.114 -10.849 5.556 1.00 0.00 C ATOM 0 H ILE A 106 2.207 -8.178 3.539 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.511 -7.294 2.672 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.322 -8.323 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.494 -9.386 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.593 -8.829 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.607 -10.583 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.869 -9.320 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.338 -10.227 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.860 -11.294 6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.858 -10.858 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.057 -11.424 4.632 1.00 0.00 H new ATOM 1642 N VAL A 107 0.207 -5.253 3.838 1.00 0.00 N ATOM 1643 CA VAL A 107 0.483 -4.018 4.630 1.00 0.00 C ATOM 1644 C VAL A 107 -0.806 -3.549 5.312 1.00 0.00 C ATOM 1645 O VAL A 107 -1.896 -3.881 4.888 1.00 0.00 O ATOM 1646 CB VAL A 107 0.958 -2.983 3.605 1.00 0.00 C ATOM 1647 CG1 VAL A 107 1.673 -1.837 4.323 1.00 0.00 C ATOM 1648 CG2 VAL A 107 1.925 -3.643 2.617 1.00 0.00 C ATOM 0 H VAL A 107 -0.180 -5.092 2.908 1.00 0.00 H new ATOM 0 HA VAL A 107 1.225 -4.178 5.412 1.00 0.00 H new ATOM 0 HB VAL A 107 0.095 -2.592 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.010 -1.103 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.987 -1.362 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.533 -2.228 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.261 -2.905 1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.785 -4.037 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.417 -4.457 2.100 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.698 -2.785 6.364 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.929 -2.309 7.062 1.00 0.00 C ATOM 1660 C ASP A 108 -1.647 -1.017 7.834 1.00 0.00 C ATOM 1661 O ASP A 108 -0.833 -0.983 8.736 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.314 -3.440 8.020 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.059 -4.022 8.675 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.482 -4.932 8.101 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -0.696 -3.549 9.740 1.00 0.00 O ATOM 0 H ASP A 108 0.183 -2.470 6.770 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.732 -2.083 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.993 -3.064 8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.847 -4.221 7.478 1.00 0.00 H new ATOM 1670 N THR A 109 -2.323 0.046 7.487 1.00 0.00 N ATOM 1671 CA THR A 109 -2.110 1.339 8.196 1.00 0.00 C ATOM 1672 C THR A 109 -3.392 2.168 8.127 1.00 0.00 C ATOM 1673 O THR A 109 -4.450 1.658 7.813 1.00 0.00 O ATOM 1674 CB THR A 109 -0.983 2.040 7.431 1.00 0.00 C ATOM 1675 OG1 THR A 109 -1.390 2.255 6.087 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.280 1.175 7.451 1.00 0.00 C ATOM 0 H THR A 109 -3.016 0.073 6.739 1.00 0.00 H new ATOM 0 HA THR A 109 -1.856 1.203 9.247 1.00 0.00 H new ATOM 0 HB THR A 109 -0.767 2.996 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.671 2.705 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.076 1.681 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.594 1.013 8.482 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.071 0.214 6.980 1.00 0.00 H new ATOM 1684 N ASP A 110 -3.313 3.441 8.398 1.00 0.00 N ATOM 1685 CA ASP A 110 -4.539 4.282 8.322 1.00 0.00 C ATOM 1686 C ASP A 110 -5.294 3.947 7.034 1.00 0.00 C ATOM 1687 O ASP A 110 -4.769 3.294 6.155 1.00 0.00 O ATOM 1688 CB ASP A 110 -4.034 5.724 8.291 1.00 0.00 C ATOM 1689 CG ASP A 110 -3.196 5.943 7.031 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -2.041 5.550 7.036 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -3.723 6.498 6.081 1.00 0.00 O ATOM 0 H ASP A 110 -2.460 3.932 8.667 1.00 0.00 H new ATOM 0 HA ASP A 110 -5.219 4.117 9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.876 6.416 8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.436 5.931 9.179 1.00 0.00 H new ATOM 1696 N SER A 111 -6.518 4.377 6.909 1.00 0.00 N ATOM 1697 CA SER A 111 -7.290 4.065 5.670 1.00 0.00 C ATOM 1698 C SER A 111 -7.598 2.569 5.601 1.00 0.00 C ATOM 1699 O SER A 111 -8.741 2.162 5.536 1.00 0.00 O ATOM 1700 CB SER A 111 -6.379 4.470 4.511 1.00 0.00 C ATOM 1701 OG SER A 111 -5.664 5.647 4.864 1.00 0.00 O ATOM 0 H SER A 111 -7.017 4.929 7.607 1.00 0.00 H new ATOM 0 HA SER A 111 -8.243 4.593 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.683 3.663 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.971 4.646 3.613 1.00 0.00 H new ATOM 0 HG SER A 111 -4.919 5.777 4.241 1.00 0.00 H new ATOM 1707 N GLY A 112 -6.586 1.746 5.610 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.823 0.278 5.540 1.00 0.00 C ATOM 1709 C GLY A 112 -5.504 -0.443 5.261 1.00 0.00 C ATOM 1710 O GLY A 112 -4.496 -0.174 5.882 1.00 0.00 O ATOM 0 H GLY A 112 -5.607 2.027 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.251 -0.076 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.545 0.053 4.755 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.501 -1.356 4.329 1.00 0.00 N ATOM 1715 CA VAL A 113 -4.241 -2.088 4.016 1.00 0.00 C ATOM 1716 C VAL A 113 -3.724 -1.680 2.638 1.00 0.00 C ATOM 1717 O VAL A 113 -4.475 -1.252 1.783 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.609 -3.571 4.045 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.774 -4.033 5.493 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.923 -3.787 3.298 1.00 0.00 C ATOM 0 H VAL A 113 -6.312 -1.626 3.773 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.448 -1.863 4.730 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.816 -4.145 3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.036 -5.091 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.838 -3.883 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.565 -3.455 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.184 -4.845 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.713 -3.208 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.811 -3.462 2.264 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.443 -1.791 2.422 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.877 -1.391 1.105 1.00 0.00 C ATOM 1732 C HIS A 114 -0.890 -2.448 0.590 1.00 0.00 C ATOM 1733 O HIS A 114 -0.552 -3.390 1.278 1.00 0.00 O ATOM 1734 CB HIS A 114 -1.135 -0.080 1.388 1.00 0.00 C ATOM 1735 CG HIS A 114 -2.002 0.848 2.195 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -2.375 2.100 1.731 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.554 0.733 3.447 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -3.115 2.684 2.691 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -3.256 1.894 3.759 1.00 0.00 N ATOM 0 H HIS A 114 -1.765 -2.141 3.099 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.651 -1.285 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.211 -0.287 1.928 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.855 0.397 0.449 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.458 -0.128 4.092 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.543 3.672 2.608 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.768 2.098 4.618 1.00 0.00 H new ATOM 1747 N ILE A 115 -0.409 -2.279 -0.612 1.00 0.00 N ATOM 1748 CA ILE A 115 0.582 -3.246 -1.176 1.00 0.00 C ATOM 1749 C ILE A 115 1.733 -2.437 -1.781 1.00 0.00 C ATOM 1750 O ILE A 115 1.536 -1.646 -2.679 1.00 0.00 O ATOM 1751 CB ILE A 115 -0.162 -4.097 -2.244 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.290 -3.714 -3.662 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.680 -3.905 -2.136 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.433 -4.591 -4.686 1.00 0.00 C ATOM 0 H ILE A 115 -0.660 -1.509 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 115 0.998 -3.916 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 115 0.084 -5.142 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.074 -2.663 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.368 -3.840 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.178 -4.510 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -2.016 -4.213 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.926 -2.855 -2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.111 -4.318 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.195 -5.638 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.509 -4.443 -4.597 1.00 0.00 H new ATOM 1766 N ILE A 116 2.920 -2.596 -1.272 1.00 0.00 N ATOM 1767 CA ILE A 116 4.057 -1.791 -1.799 1.00 0.00 C ATOM 1768 C ILE A 116 4.987 -2.607 -2.693 1.00 0.00 C ATOM 1769 O ILE A 116 5.068 -3.816 -2.606 1.00 0.00 O ATOM 1770 CB ILE A 116 4.801 -1.333 -0.551 1.00 0.00 C ATOM 1771 CG1 ILE A 116 3.902 -0.390 0.242 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.081 -0.598 -0.955 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.028 -0.696 1.735 1.00 0.00 C ATOM 0 H ILE A 116 3.153 -3.243 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 116 3.702 -0.970 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 116 5.062 -2.197 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.182 0.645 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.866 -0.505 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.611 -0.272 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.719 -1.268 -1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 116 5.826 0.270 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.385 -0.021 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.726 -1.727 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.063 -0.559 2.049 1.00 0.00 H new ATOM 1785 N LYS A 117 5.709 -1.926 -3.540 1.00 0.00 N ATOM 1786 CA LYS A 117 6.672 -2.608 -4.444 1.00 0.00 C ATOM 1787 C LYS A 117 8.045 -1.951 -4.283 1.00 0.00 C ATOM 1788 O LYS A 117 8.215 -1.057 -3.479 1.00 0.00 O ATOM 1789 CB LYS A 117 6.124 -2.388 -5.854 1.00 0.00 C ATOM 1790 CG LYS A 117 5.180 -3.535 -6.216 1.00 0.00 C ATOM 1791 CD LYS A 117 5.997 -4.800 -6.476 1.00 0.00 C ATOM 1792 CE LYS A 117 5.468 -5.503 -7.726 1.00 0.00 C ATOM 1793 NZ LYS A 117 6.631 -5.553 -8.656 1.00 0.00 N ATOM 0 H LYS A 117 5.670 -0.912 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 117 6.785 -3.671 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.595 -1.436 -5.906 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.944 -2.337 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.471 -3.707 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.598 -3.276 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 117 7.049 -4.545 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.935 -5.468 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.105 -6.504 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.634 -4.955 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.349 -6.022 -9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.951 -4.586 -8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.407 -6.086 -8.214 1.00 0.00 H new ATOM 1807 N ARG A 118 9.025 -2.377 -5.029 1.00 0.00 N ATOM 1808 CA ARG A 118 10.374 -1.756 -4.888 1.00 0.00 C ATOM 1809 C ARG A 118 11.111 -1.761 -6.237 1.00 0.00 C ATOM 1810 O ARG A 118 10.703 -1.102 -7.173 1.00 0.00 O ATOM 1811 CB ARG A 118 11.092 -2.621 -3.849 1.00 0.00 C ATOM 1812 CG ARG A 118 12.394 -1.939 -3.419 1.00 0.00 C ATOM 1813 CD ARG A 118 12.651 -2.215 -1.935 1.00 0.00 C ATOM 1814 NE ARG A 118 13.790 -1.327 -1.571 1.00 0.00 N ATOM 1815 CZ ARG A 118 14.023 -1.040 -0.318 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.336 -1.989 0.521 1.00 0.00 N ATOM 1817 NH2 ARG A 118 13.945 0.197 0.094 1.00 0.00 N ATOM 0 H ARG A 118 8.954 -3.120 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 118 10.327 -0.712 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.448 -2.776 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.306 -3.605 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.226 -2.310 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.329 -0.865 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 118 11.769 -1.993 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.897 -3.263 -1.765 1.00 0.00 H new ATOM 0 HE ARG A 118 14.389 -0.942 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.399 -2.955 0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.518 -1.765 1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.702 0.939 -0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.127 0.421 1.072 1.00 0.00 H new ATOM 1831 N THR A 119 12.194 -2.487 -6.349 1.00 0.00 N ATOM 1832 CA THR A 119 12.945 -2.510 -7.640 1.00 0.00 C ATOM 1833 C THR A 119 12.050 -3.035 -8.773 1.00 0.00 C ATOM 1834 O THR A 119 10.936 -2.584 -8.952 1.00 0.00 O ATOM 1835 CB THR A 119 14.122 -3.455 -7.386 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.552 -3.323 -6.038 1.00 0.00 O ATOM 1837 CG2 THR A 119 15.274 -3.102 -8.329 1.00 0.00 C ATOM 0 H THR A 119 12.589 -3.063 -5.605 1.00 0.00 H new ATOM 0 HA THR A 119 13.277 -1.519 -7.948 1.00 0.00 H new ATOM 0 HB THR A 119 13.809 -4.483 -7.568 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.305 -3.929 -5.874 1.00 0.00 H new ATOM 0 HG21 THR A 119 16.112 -3.775 -8.148 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.943 -3.205 -9.362 1.00 0.00 H new ATOM 0 HG23 THR A 119 15.589 -2.074 -8.150 1.00 0.00 H new ATOM 1845 N ALA A 120 12.525 -3.984 -9.540 1.00 0.00 N ATOM 1846 CA ALA A 120 11.699 -4.533 -10.658 1.00 0.00 C ATOM 1847 C ALA A 120 11.564 -3.497 -11.777 1.00 0.00 C ATOM 1848 O ALA A 120 11.045 -2.426 -11.508 1.00 0.00 O ATOM 1849 CB ALA A 120 10.332 -4.836 -10.042 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.980 -3.794 -12.886 1.00 0.00 O ATOM 0 H ALA A 120 13.450 -4.402 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 120 12.150 -5.422 -11.099 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.671 -5.243 -10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.448 -5.563 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.902 -3.918 -9.642 1.00 0.00 H new