USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 795 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 56 CYS SG : rot 60:sc= 0.242 USER MOD Set 1.2: A 80 SER OG : rot 95:sc= -0.0489 USER MOD Set 2.1: A 47 THR OG1 : rot -114:sc= -1.4! USER MOD Set 2.2: A 93 ASN : amide:sc= -1.35! C(o=-2.7!,f=-1.2!) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -2.73! X(o=-4.6!,f=-4.2) USER MOD Set 3.2: A 30 TYR OH : rot 40:sc= -1.91 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -2.03 K(o=-2,f=-3.4!) USER MOD Single : A 13 ASN : amide:sc= -3.56! C(o=-3.6!,f=-9.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 31:sc= 0.453 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.68! X(o=-2.7!,f=-3.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.91! C(o=-3.9!,f=-9.5!) USER MOD Single : A 46 MET CE :methyl -157:sc= -0.714 (180deg=-2.93!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 21:sc= 0.2 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00352 K(o=-0.0035,f=-0.52) USER MOD Single : A 75 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.51) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 1:sc= 0.823! USER MOD Single : A 85 ASN : amide:sc= -1.38! C(o=-1.4!,f=-4.1!) USER MOD Single : A 95 ASN : amide:sc= -1.63! C(o=-1.6!,f=-3.4!) USER MOD Single : A 97 SER OG : rot -110:sc= -1.48 USER MOD Single : A 102 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00366) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 7:sc= 0.219 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 9.397 -3.731 7.356 1.00 0.00 N ATOM 67 CA PRO A 8 8.462 -4.859 7.359 1.00 0.00 C ATOM 68 C PRO A 8 8.656 -5.777 6.157 1.00 0.00 C ATOM 69 O PRO A 8 9.287 -5.399 5.170 1.00 0.00 O ATOM 70 CB PRO A 8 7.090 -4.183 7.300 1.00 0.00 C ATOM 71 CG PRO A 8 7.345 -2.865 6.653 1.00 0.00 C ATOM 72 CD PRO A 8 8.722 -2.449 7.090 1.00 0.00 C ATOM 0 HA PRO A 8 8.600 -5.500 8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.381 -4.777 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.666 -4.059 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.288 -2.946 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.600 -2.130 6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.234 -1.878 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.688 -1.820 7.980 1.00 0.00 H new ATOM 80 N LYS A 9 8.109 -6.985 6.246 1.00 0.00 N ATOM 81 CA LYS A 9 8.220 -7.957 5.165 1.00 0.00 C ATOM 82 C LYS A 9 7.164 -7.703 4.095 1.00 0.00 C ATOM 83 O LYS A 9 7.490 -7.487 2.927 1.00 0.00 O ATOM 84 CB LYS A 9 8.075 -9.378 5.713 1.00 0.00 C ATOM 85 CG LYS A 9 8.908 -9.640 6.956 1.00 0.00 C ATOM 86 CD LYS A 9 10.380 -9.799 6.617 1.00 0.00 C ATOM 87 CE LYS A 9 10.723 -11.244 6.286 1.00 0.00 C ATOM 88 NZ LYS A 9 12.191 -11.490 6.331 1.00 0.00 N ATOM 0 H LYS A 9 7.584 -7.314 7.056 1.00 0.00 H new ATOM 0 HA LYS A 9 9.205 -7.848 4.711 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.026 -9.564 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.362 -10.088 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.783 -8.817 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.549 -10.541 7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.630 -9.161 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.987 -9.463 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.222 -11.907 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.344 -11.489 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.383 -12.486 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.667 -10.876 5.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.549 -11.281 7.285 1.00 0.00 H new ATOM 102 N ILE A 10 5.899 -7.728 4.500 1.00 0.00 N ATOM 103 CA ILE A 10 4.796 -7.498 3.575 1.00 0.00 C ATOM 104 C ILE A 10 4.961 -6.171 2.842 1.00 0.00 C ATOM 105 O ILE A 10 5.407 -5.180 3.422 1.00 0.00 O ATOM 106 CB ILE A 10 3.439 -7.503 4.305 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.597 -6.956 5.725 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.859 -8.909 4.334 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.856 -8.028 6.760 1.00 0.00 C ATOM 0 H ILE A 10 5.612 -7.905 5.463 1.00 0.00 H new ATOM 0 HA ILE A 10 4.814 -8.314 2.853 1.00 0.00 H new ATOM 0 HB ILE A 10 2.748 -6.857 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.419 -6.241 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.694 -6.410 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.901 -8.897 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.715 -9.264 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.546 -9.575 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.957 -7.568 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.023 -8.731 6.772 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.775 -8.559 6.512 1.00 0.00 H new ATOM 121 N HIS A 11 4.597 -6.159 1.564 1.00 0.00 N ATOM 122 CA HIS A 11 4.703 -4.952 0.751 1.00 0.00 C ATOM 123 C HIS A 11 3.544 -4.860 -0.238 1.00 0.00 C ATOM 124 O HIS A 11 3.147 -5.858 -0.839 1.00 0.00 O ATOM 125 CB HIS A 11 6.034 -4.934 -0.002 1.00 0.00 C ATOM 126 CG HIS A 11 6.031 -5.773 -1.243 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.686 -5.280 -2.484 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.336 -7.078 -1.430 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.777 -6.247 -3.380 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.170 -7.348 -2.766 1.00 0.00 N ATOM 0 H HIS A 11 4.226 -6.970 1.069 1.00 0.00 H new ATOM 0 HA HIS A 11 4.659 -4.090 1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.277 -3.906 -0.269 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.823 -5.286 0.663 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.405 -4.319 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 11 6.651 -7.777 -0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.566 -6.153 -4.435 1.00 0.00 H new ATOM 138 N PHE A 12 3.006 -3.656 -0.400 1.00 0.00 N ATOM 139 CA PHE A 12 1.891 -3.434 -1.313 1.00 0.00 C ATOM 140 C PHE A 12 2.362 -3.468 -2.764 1.00 0.00 C ATOM 141 O PHE A 12 3.495 -3.097 -3.069 1.00 0.00 O ATOM 142 CB PHE A 12 1.219 -2.092 -1.015 1.00 0.00 C ATOM 143 CG PHE A 12 0.318 -2.126 0.186 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.938 -2.706 0.110 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.727 -1.578 1.391 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.769 -2.739 1.213 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.100 -1.609 2.498 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.350 -2.190 2.409 1.00 0.00 C ATOM 0 H PHE A 12 3.324 -2.819 0.089 1.00 0.00 H new ATOM 0 HA PHE A 12 1.167 -4.236 -1.165 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.989 -1.336 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.640 -1.784 -1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.271 -3.137 -0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.703 -1.122 1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.746 -3.194 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.231 -1.179 3.432 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.998 -2.215 3.273 1.00 0.00 H new ATOM 158 N ASN A 13 1.484 -3.918 -3.655 1.00 0.00 N ATOM 159 CA ASN A 13 1.810 -4.002 -5.074 1.00 0.00 C ATOM 160 C ASN A 13 2.427 -2.698 -5.569 1.00 0.00 C ATOM 161 O ASN A 13 3.257 -2.697 -6.479 1.00 0.00 O ATOM 162 CB ASN A 13 0.556 -4.327 -5.888 1.00 0.00 C ATOM 163 CG ASN A 13 -0.638 -3.491 -5.469 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.596 -2.792 -4.457 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.712 -3.561 -6.247 1.00 0.00 N ATOM 0 H ASN A 13 0.542 -4.230 -3.419 1.00 0.00 H new ATOM 0 HA ASN A 13 2.539 -4.801 -5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.759 -4.160 -6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.315 -5.384 -5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.546 -3.022 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.703 -4.154 -7.077 1.00 0.00 H new ATOM 172 N PHE A 14 2.017 -1.588 -4.964 1.00 0.00 N ATOM 173 CA PHE A 14 2.529 -0.277 -5.343 1.00 0.00 C ATOM 174 C PHE A 14 2.903 0.539 -4.108 1.00 0.00 C ATOM 175 O PHE A 14 2.290 0.398 -3.051 1.00 0.00 O ATOM 176 CB PHE A 14 1.490 0.480 -6.172 1.00 0.00 C ATOM 177 CG PHE A 14 0.072 0.147 -5.805 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.419 0.444 -4.544 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.770 -0.463 -6.721 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.723 0.138 -4.203 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.075 -0.771 -6.386 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.552 -0.469 -5.125 1.00 0.00 C ATOM 0 H PHE A 14 1.331 -1.571 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 14 3.426 -0.425 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.647 1.551 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.646 0.256 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.225 0.920 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.402 -0.701 -7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.093 0.374 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.721 -1.247 -7.109 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.572 -0.707 -4.861 1.00 0.00 H new ATOM 192 N GLU A 15 3.913 1.390 -4.253 1.00 0.00 N ATOM 193 CA GLU A 15 4.370 2.227 -3.149 1.00 0.00 C ATOM 194 C GLU A 15 3.321 3.277 -2.793 1.00 0.00 C ATOM 195 O GLU A 15 3.198 3.680 -1.635 1.00 0.00 O ATOM 196 CB GLU A 15 5.690 2.912 -3.511 1.00 0.00 C ATOM 197 CG GLU A 15 6.414 3.508 -2.316 1.00 0.00 C ATOM 198 CD GLU A 15 7.375 2.529 -1.669 1.00 0.00 C ATOM 199 OE1 GLU A 15 8.497 2.365 -2.192 1.00 0.00 O ATOM 200 OE2 GLU A 15 7.005 1.928 -0.639 1.00 0.00 O ATOM 0 H GLU A 15 4.430 1.518 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 15 4.528 1.586 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.344 2.188 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.493 3.701 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.963 4.394 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.682 3.834 -1.578 1.00 0.00 H new ATOM 207 N LEU A 16 2.568 3.716 -3.795 1.00 0.00 N ATOM 208 CA LEU A 16 1.529 4.719 -3.588 1.00 0.00 C ATOM 209 C LEU A 16 0.320 4.442 -4.475 1.00 0.00 C ATOM 210 O LEU A 16 0.459 3.968 -5.604 1.00 0.00 O ATOM 211 CB LEU A 16 2.078 6.117 -3.878 1.00 0.00 C ATOM 212 CG LEU A 16 1.057 7.157 -4.342 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.516 8.558 -3.971 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.829 7.047 -5.842 1.00 0.00 C ATOM 0 H LEU A 16 2.657 3.394 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 16 1.212 4.668 -2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.562 6.490 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.851 6.031 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 16 0.112 6.962 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.777 9.284 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.627 8.630 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.474 8.766 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.100 7.794 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.770 7.216 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.454 6.052 -6.081 1.00 0.00 H new ATOM 226 N LEU A 17 -0.867 4.741 -3.959 1.00 0.00 N ATOM 227 CA LEU A 17 -2.102 4.527 -4.705 1.00 0.00 C ATOM 228 C LEU A 17 -2.778 5.854 -5.035 1.00 0.00 C ATOM 229 O LEU A 17 -3.191 6.590 -4.139 1.00 0.00 O ATOM 230 CB LEU A 17 -3.058 3.640 -3.905 1.00 0.00 C ATOM 231 CG LEU A 17 -4.495 3.565 -4.420 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.593 2.597 -5.589 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.442 3.152 -3.303 1.00 0.00 C ATOM 0 H LEU A 17 -1.000 5.132 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.849 4.028 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.649 2.630 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.080 4.000 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.787 4.555 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.623 2.557 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.945 2.936 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.281 1.604 -5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.460 3.104 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.151 2.173 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.394 3.883 -2.496 1.00 0.00 H new ATOM 245 N ASP A 18 -2.887 6.152 -6.325 1.00 0.00 N ATOM 246 CA ASP A 18 -3.516 7.389 -6.773 1.00 0.00 C ATOM 247 C ASP A 18 -4.956 7.140 -7.210 1.00 0.00 C ATOM 248 O ASP A 18 -5.204 6.441 -8.193 1.00 0.00 O ATOM 249 CB ASP A 18 -2.719 8.003 -7.925 1.00 0.00 C ATOM 250 CG ASP A 18 -3.591 8.807 -8.869 1.00 0.00 C ATOM 251 OD1 ASP A 18 -4.266 8.193 -9.721 1.00 0.00 O ATOM 252 OD2 ASP A 18 -3.599 10.051 -8.754 1.00 0.00 O ATOM 0 H ASP A 18 -2.548 5.554 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.526 8.087 -5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.938 8.646 -7.520 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.221 7.209 -8.482 1.00 0.00 H new ATOM 257 N ILE A 19 -5.900 7.715 -6.474 1.00 0.00 N ATOM 258 CA ILE A 19 -7.315 7.555 -6.786 1.00 0.00 C ATOM 259 C ILE A 19 -7.785 8.621 -7.771 1.00 0.00 C ATOM 260 O ILE A 19 -8.969 8.705 -8.092 1.00 0.00 O ATOM 261 CB ILE A 19 -8.184 7.627 -5.516 1.00 0.00 C ATOM 262 CG1 ILE A 19 -8.158 9.042 -4.934 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.701 6.616 -4.487 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.912 9.172 -3.629 1.00 0.00 C ATOM 0 H ILE A 19 -5.711 8.296 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.428 6.570 -7.238 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.212 7.383 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.122 9.343 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.584 9.733 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.324 6.678 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.766 5.612 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.666 6.833 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.851 10.201 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.957 8.903 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.472 8.506 -2.887 1.00 0.00 H new ATOM 276 N GLY A 20 -6.846 9.433 -8.248 1.00 0.00 N ATOM 277 CA GLY A 20 -7.183 10.482 -9.193 1.00 0.00 C ATOM 278 C GLY A 20 -8.370 11.309 -8.741 1.00 0.00 C ATOM 279 O GLY A 20 -8.401 11.801 -7.613 1.00 0.00 O ATOM 0 H GLY A 20 -5.859 9.383 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.321 11.134 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.403 10.036 -10.163 1.00 0.00 H new ATOM 283 N LYS A 21 -9.350 11.466 -9.625 1.00 0.00 N ATOM 284 CA LYS A 21 -10.546 12.240 -9.313 1.00 0.00 C ATOM 285 C LYS A 21 -11.690 11.326 -8.887 1.00 0.00 C ATOM 286 O LYS A 21 -12.006 10.352 -9.569 1.00 0.00 O ATOM 287 CB LYS A 21 -10.969 13.074 -10.524 1.00 0.00 C ATOM 288 CG LYS A 21 -10.300 14.436 -10.589 1.00 0.00 C ATOM 289 CD LYS A 21 -10.982 15.345 -11.598 1.00 0.00 C ATOM 290 CE LYS A 21 -10.477 15.089 -13.009 1.00 0.00 C ATOM 291 NZ LYS A 21 -11.172 15.944 -14.011 1.00 0.00 N ATOM 0 H LYS A 21 -9.339 11.067 -10.564 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.310 12.908 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.737 12.521 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.050 13.210 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.324 14.902 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.251 14.315 -10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.060 15.187 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.804 16.386 -11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.405 15.279 -13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.625 14.039 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.799 15.739 -14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.192 15.745 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.010 16.946 -13.784 1.00 0.00 H new ATOM 305 N VAL A 22 -12.308 11.648 -7.755 1.00 0.00 N ATOM 306 CA VAL A 22 -13.419 10.857 -7.239 1.00 0.00 C ATOM 307 C VAL A 22 -14.588 11.749 -6.836 1.00 0.00 C ATOM 308 O VAL A 22 -14.446 12.632 -5.989 1.00 0.00 O ATOM 309 CB VAL A 22 -12.991 10.011 -6.026 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.020 8.920 -6.452 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.375 10.895 -4.952 1.00 0.00 C ATOM 0 H VAL A 22 -12.058 12.451 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.734 10.192 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.876 9.533 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.728 8.332 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.501 8.271 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.134 9.374 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.078 10.281 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.499 11.403 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -13.106 11.636 -4.627 1.00 0.00 H new ATOM 321 N PHE A 23 -15.744 11.513 -7.447 1.00 0.00 N ATOM 322 CA PHE A 23 -16.939 12.295 -7.151 1.00 0.00 C ATOM 323 C PHE A 23 -17.197 12.348 -5.648 1.00 0.00 C ATOM 324 O PHE A 23 -16.701 11.512 -4.891 1.00 0.00 O ATOM 325 CB PHE A 23 -18.153 11.702 -7.868 1.00 0.00 C ATOM 326 CG PHE A 23 -19.241 12.703 -8.135 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.940 13.946 -8.669 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.563 12.401 -7.852 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.939 14.869 -8.914 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.566 13.320 -8.096 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.254 14.555 -8.628 1.00 0.00 C ATOM 0 H PHE A 23 -15.879 10.787 -8.150 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.775 13.311 -7.509 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.830 11.268 -8.814 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.559 10.889 -7.266 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.914 14.196 -8.896 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.813 11.436 -7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.692 15.835 -9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.593 13.072 -7.871 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.036 15.274 -8.820 1.00 0.00 H new ATOM 341 N THR A 24 -17.977 13.337 -5.222 1.00 0.00 N ATOM 342 CA THR A 24 -18.300 13.501 -3.810 1.00 0.00 C ATOM 343 C THR A 24 -19.549 12.711 -3.437 1.00 0.00 C ATOM 344 O THR A 24 -20.419 12.475 -4.274 1.00 0.00 O ATOM 345 CB THR A 24 -18.517 14.983 -3.452 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.686 15.126 -2.037 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.735 15.541 -4.172 1.00 0.00 C ATOM 0 H THR A 24 -18.397 14.036 -5.835 1.00 0.00 H new ATOM 0 HA THR A 24 -17.450 13.119 -3.244 1.00 0.00 H new ATOM 0 HB THR A 24 -17.638 15.543 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.822 16.071 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.868 16.589 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.591 15.458 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.621 14.976 -3.880 1.00 0.00 H new ATOM 355 N GLY A 25 -19.633 12.306 -2.173 1.00 0.00 N ATOM 356 CA GLY A 25 -20.780 11.548 -1.712 1.00 0.00 C ATOM 357 C GLY A 25 -20.706 10.086 -2.104 1.00 0.00 C ATOM 358 O GLY A 25 -20.879 9.201 -1.266 1.00 0.00 O ATOM 0 H GLY A 25 -18.927 12.490 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.851 11.627 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.690 11.985 -2.124 1.00 0.00 H new ATOM 362 N SER A 26 -20.448 9.830 -3.383 1.00 0.00 N ATOM 363 CA SER A 26 -20.356 8.465 -3.887 1.00 0.00 C ATOM 364 C SER A 26 -19.066 7.799 -3.418 1.00 0.00 C ATOM 365 O SER A 26 -18.001 8.414 -3.418 1.00 0.00 O ATOM 366 CB SER A 26 -20.421 8.457 -5.415 1.00 0.00 C ATOM 367 OG SER A 26 -21.705 8.843 -5.873 1.00 0.00 O ATOM 0 H SER A 26 -20.299 10.551 -4.089 1.00 0.00 H new ATOM 0 HA SER A 26 -21.201 7.901 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.669 9.135 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 26 -20.183 7.460 -5.787 1.00 0.00 H new ATOM 0 HG SER A 26 -21.720 8.831 -6.853 1.00 0.00 H new ATOM 373 N ALA A 27 -19.172 6.535 -3.018 1.00 0.00 N ATOM 374 CA ALA A 27 -18.015 5.784 -2.548 1.00 0.00 C ATOM 375 C ALA A 27 -17.318 5.071 -3.702 1.00 0.00 C ATOM 376 O ALA A 27 -17.947 4.727 -4.703 1.00 0.00 O ATOM 377 CB ALA A 27 -18.434 4.782 -1.482 1.00 0.00 C ATOM 0 H ALA A 27 -20.047 6.011 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.308 6.489 -2.111 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.560 4.228 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -18.880 5.312 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.162 4.088 -1.901 1.00 0.00 H new ATOM 383 N HIS A 28 -16.015 4.852 -3.556 1.00 0.00 N ATOM 384 CA HIS A 28 -15.233 4.179 -4.586 1.00 0.00 C ATOM 385 C HIS A 28 -14.747 2.817 -4.098 1.00 0.00 C ATOM 386 O HIS A 28 -14.628 2.585 -2.895 1.00 0.00 O ATOM 387 CB HIS A 28 -14.039 5.042 -4.995 1.00 0.00 C ATOM 388 CG HIS A 28 -14.374 6.082 -6.020 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.926 6.026 -7.323 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.120 7.207 -5.928 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.381 7.074 -7.987 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.109 7.806 -7.163 1.00 0.00 N ATOM 0 H HIS A 28 -15.479 5.131 -2.734 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.876 4.026 -5.453 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.636 5.533 -4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.253 4.397 -5.387 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.630 7.567 -5.046 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.190 7.295 -9.027 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.585 8.675 -7.405 1.00 0.00 H new ATOM 400 N CYS A 29 -14.470 1.921 -5.039 1.00 0.00 N ATOM 401 CA CYS A 29 -13.999 0.582 -4.705 1.00 0.00 C ATOM 402 C CYS A 29 -12.591 0.351 -5.241 1.00 0.00 C ATOM 403 O CYS A 29 -12.364 0.380 -6.451 1.00 0.00 O ATOM 404 CB CYS A 29 -14.953 -0.472 -5.270 1.00 0.00 C ATOM 405 SG CYS A 29 -15.026 -0.508 -7.076 1.00 0.00 S ATOM 0 H CYS A 29 -14.564 2.098 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.973 0.493 -3.619 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.647 -1.454 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.954 -0.287 -4.880 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.876 -0.149 -7.564 1.00 0.00 H new ATOM 411 N TYR A 30 -11.648 0.124 -4.334 1.00 0.00 N ATOM 412 CA TYR A 30 -10.259 -0.107 -4.715 1.00 0.00 C ATOM 413 C TYR A 30 -9.775 -1.463 -4.211 1.00 0.00 C ATOM 414 O TYR A 30 -10.478 -2.149 -3.470 1.00 0.00 O ATOM 415 CB TYR A 30 -9.365 1.004 -4.164 1.00 0.00 C ATOM 416 CG TYR A 30 -9.847 2.396 -4.507 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.771 2.878 -5.808 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.380 3.228 -3.530 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.209 4.149 -6.125 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.823 4.500 -3.839 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.735 4.956 -5.138 1.00 0.00 C ATOM 422 OH TYR A 30 -11.174 6.222 -5.450 1.00 0.00 O ATOM 0 H TYR A 30 -11.820 0.095 -3.329 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.202 -0.103 -5.803 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.305 0.906 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.355 0.872 -4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.363 2.248 -6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.449 2.875 -2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.140 4.509 -7.141 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.236 5.134 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.638 6.204 -6.313 1.00 0.00 H new ATOM 432 N GLU A 31 -8.567 -1.841 -4.618 1.00 0.00 N ATOM 433 CA GLU A 31 -7.988 -3.115 -4.207 1.00 0.00 C ATOM 434 C GLU A 31 -6.472 -3.003 -4.069 1.00 0.00 C ATOM 435 O GLU A 31 -5.782 -2.584 -4.998 1.00 0.00 O ATOM 436 CB GLU A 31 -8.339 -4.210 -5.217 1.00 0.00 C ATOM 437 CG GLU A 31 -8.045 -5.615 -4.719 1.00 0.00 C ATOM 438 CD GLU A 31 -8.361 -6.678 -5.752 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.496 -6.944 -6.613 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.472 -7.245 -5.700 1.00 0.00 O ATOM 0 H GLU A 31 -7.971 -1.284 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.407 -3.379 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.397 -4.136 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.781 -4.036 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.993 -5.685 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.627 -5.806 -3.817 1.00 0.00 H new ATOM 447 N ALA A 32 -5.961 -3.381 -2.901 1.00 0.00 N ATOM 448 CA ALA A 32 -4.528 -3.325 -2.640 1.00 0.00 C ATOM 449 C ALA A 32 -3.976 -4.708 -2.311 1.00 0.00 C ATOM 450 O ALA A 32 -4.343 -5.309 -1.301 1.00 0.00 O ATOM 451 CB ALA A 32 -4.236 -2.354 -1.507 1.00 0.00 C ATOM 0 H ALA A 32 -6.518 -3.729 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.032 -2.971 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.162 -2.322 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.587 -1.359 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.749 -2.684 -0.604 1.00 0.00 H new ATOM 457 N ILE A 33 -3.093 -5.207 -3.169 1.00 0.00 N ATOM 458 CA ILE A 33 -2.491 -6.519 -2.968 1.00 0.00 C ATOM 459 C ILE A 33 -1.227 -6.420 -2.120 1.00 0.00 C ATOM 460 O ILE A 33 -0.304 -5.672 -2.447 1.00 0.00 O ATOM 461 CB ILE A 33 -2.143 -7.191 -4.310 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.190 -6.837 -5.368 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.046 -8.699 -4.137 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.605 -6.813 -4.834 1.00 0.00 C ATOM 0 H ILE A 33 -2.779 -4.723 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.229 -7.128 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.174 -6.820 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.953 -5.860 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.130 -7.559 -6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.800 -9.160 -5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.268 -8.933 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.001 -9.087 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.293 -6.555 -5.639 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.861 -7.796 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.681 -6.071 -4.039 1.00 0.00 H new ATOM 476 N LEU A 34 -1.191 -7.179 -1.031 1.00 0.00 N ATOM 477 CA LEU A 34 -0.039 -7.179 -0.136 1.00 0.00 C ATOM 478 C LEU A 34 0.731 -8.491 -0.239 1.00 0.00 C ATOM 479 O LEU A 34 0.239 -9.545 0.166 1.00 0.00 O ATOM 480 CB LEU A 34 -0.490 -6.950 1.308 1.00 0.00 C ATOM 481 CG LEU A 34 0.572 -6.409 2.265 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.950 -4.984 1.893 1.00 0.00 C ATOM 483 CD2 LEU A 34 0.077 -6.473 3.703 1.00 0.00 C ATOM 0 H LEU A 34 -1.946 -7.803 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 34 0.623 -6.367 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.330 -6.256 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.861 -7.895 1.706 1.00 0.00 H new ATOM 0 HG LEU A 34 1.462 -7.033 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.707 -4.616 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.347 -4.966 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.067 -4.347 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.846 -6.084 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.828 -5.873 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.142 -7.508 3.967 1.00 0.00 H new ATOM 495 N TYR A 35 1.942 -8.420 -0.781 1.00 0.00 N ATOM 496 CA TYR A 35 2.780 -9.603 -0.936 1.00 0.00 C ATOM 497 C TYR A 35 3.568 -9.885 0.339 1.00 0.00 C ATOM 498 O TYR A 35 4.362 -9.059 0.787 1.00 0.00 O ATOM 499 CB TYR A 35 3.741 -9.421 -2.113 1.00 0.00 C ATOM 500 CG TYR A 35 3.047 -9.316 -3.451 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.246 -8.222 -3.756 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.190 -10.310 -4.411 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.608 -8.122 -4.978 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.558 -10.217 -5.636 1.00 0.00 C ATOM 505 CZ TYR A 35 1.768 -9.122 -5.914 1.00 0.00 C ATOM 506 OH TYR A 35 1.135 -9.026 -7.133 1.00 0.00 O ATOM 0 H TYR A 35 2.365 -7.556 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 35 2.129 -10.455 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.335 -8.522 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.435 -10.261 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.120 -7.436 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.806 -11.171 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.988 -7.266 -5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.682 -10.998 -6.372 1.00 0.00 H new ATOM 0 HH TYR A 35 1.352 -9.812 -7.677 1.00 0.00 H new ATOM 516 N ASN A 36 3.341 -11.058 0.920 1.00 0.00 N ATOM 517 CA ASN A 36 4.028 -11.451 2.145 1.00 0.00 C ATOM 518 C ASN A 36 5.390 -12.065 1.832 1.00 0.00 C ATOM 519 O ASN A 36 5.483 -13.068 1.124 1.00 0.00 O ATOM 520 CB ASN A 36 3.177 -12.447 2.936 1.00 0.00 C ATOM 521 CG ASN A 36 3.821 -12.841 4.250 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.473 -12.027 4.904 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.641 -14.097 4.644 1.00 0.00 N ATOM 0 H ASN A 36 2.686 -11.754 0.562 1.00 0.00 H new ATOM 0 HA ASN A 36 4.182 -10.556 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.198 -12.010 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.013 -13.340 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.051 -14.420 5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.093 -14.738 4.070 1.00 0.00 H new ATOM 530 N LYS A 37 6.444 -11.456 2.364 1.00 0.00 N ATOM 531 CA LYS A 37 7.801 -11.942 2.145 1.00 0.00 C ATOM 532 C LYS A 37 8.308 -12.709 3.361 1.00 0.00 C ATOM 533 O LYS A 37 9.512 -12.797 3.594 1.00 0.00 O ATOM 534 CB LYS A 37 8.740 -10.773 1.838 1.00 0.00 C ATOM 535 CG LYS A 37 8.457 -10.100 0.506 1.00 0.00 C ATOM 536 CD LYS A 37 8.955 -10.938 -0.659 1.00 0.00 C ATOM 537 CE LYS A 37 8.138 -10.685 -1.917 1.00 0.00 C ATOM 538 NZ LYS A 37 8.534 -11.595 -3.028 1.00 0.00 N ATOM 0 H LYS A 37 6.384 -10.624 2.951 1.00 0.00 H new ATOM 0 HA LYS A 37 7.784 -12.620 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.658 -10.033 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.769 -11.133 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.385 -9.932 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.936 -9.121 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.003 -10.708 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.903 -11.995 -0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.079 -10.821 -1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.267 -9.650 -2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.954 -11.391 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.538 -11.448 -3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.387 -12.583 -2.737 1.00 0.00 H new ATOM 552 N GLY A 38 7.379 -13.265 4.134 1.00 0.00 N ATOM 553 CA GLY A 38 7.752 -14.019 5.317 1.00 0.00 C ATOM 554 C GLY A 38 7.811 -15.511 5.059 1.00 0.00 C ATOM 555 O GLY A 38 7.173 -16.013 4.134 1.00 0.00 O ATOM 0 H GLY A 38 6.375 -13.207 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.724 -13.676 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.034 -13.819 6.113 1.00 0.00 H new ATOM 559 N SER A 39 8.581 -16.222 5.876 1.00 0.00 N ATOM 560 CA SER A 39 8.726 -17.665 5.728 1.00 0.00 C ATOM 561 C SER A 39 7.455 -18.386 6.169 1.00 0.00 C ATOM 562 O SER A 39 7.058 -19.387 5.572 1.00 0.00 O ATOM 563 CB SER A 39 9.919 -18.166 6.544 1.00 0.00 C ATOM 564 OG SER A 39 11.120 -18.077 5.798 1.00 0.00 O ATOM 0 H SER A 39 9.114 -15.822 6.648 1.00 0.00 H new ATOM 0 HA SER A 39 8.900 -17.882 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.011 -17.579 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.750 -19.200 6.845 1.00 0.00 H new ATOM 0 HG SER A 39 11.868 -18.401 6.342 1.00 0.00 H new ATOM 570 N ILE A 40 6.823 -17.870 7.217 1.00 0.00 N ATOM 571 CA ILE A 40 5.598 -18.464 7.738 1.00 0.00 C ATOM 572 C ILE A 40 4.458 -17.451 7.748 1.00 0.00 C ATOM 573 O ILE A 40 4.619 -16.315 7.302 1.00 0.00 O ATOM 574 CB ILE A 40 5.798 -19.009 9.164 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.147 -17.871 10.125 1.00 0.00 C ATOM 576 CG2 ILE A 40 6.886 -20.073 9.177 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.761 -18.152 11.560 1.00 0.00 C ATOM 0 H ILE A 40 7.139 -17.042 7.722 1.00 0.00 H new ATOM 0 HA ILE A 40 5.341 -19.291 7.075 1.00 0.00 H new ATOM 0 HB ILE A 40 4.866 -19.466 9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.219 -17.681 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.647 -16.961 9.794 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.016 -20.448 10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.600 -20.894 8.520 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.823 -19.639 8.828 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.038 -17.303 12.184 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.685 -18.312 11.623 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.282 -19.044 11.909 1.00 0.00 H new ATOM 589 N ASP A 41 3.307 -17.869 8.262 1.00 0.00 N ATOM 590 CA ASP A 41 2.139 -16.998 8.334 1.00 0.00 C ATOM 591 C ASP A 41 2.521 -15.621 8.869 1.00 0.00 C ATOM 592 O ASP A 41 3.330 -15.505 9.789 1.00 0.00 O ATOM 593 CB ASP A 41 1.063 -17.624 9.222 1.00 0.00 C ATOM 594 CG ASP A 41 1.651 -18.415 10.374 1.00 0.00 C ATOM 595 OD1 ASP A 41 2.283 -19.460 10.114 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.478 -17.990 11.536 1.00 0.00 O ATOM 0 H ASP A 41 3.157 -18.806 8.635 1.00 0.00 H new ATOM 0 HA ASP A 41 1.742 -16.879 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.419 -16.838 9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.434 -18.279 8.619 1.00 0.00 H new ATOM 601 N ALA A 42 1.935 -14.582 8.285 1.00 0.00 N ATOM 602 CA ALA A 42 2.213 -13.213 8.704 1.00 0.00 C ATOM 603 C ALA A 42 0.943 -12.516 9.179 1.00 0.00 C ATOM 604 O ALA A 42 0.004 -12.318 8.406 1.00 0.00 O ATOM 605 CB ALA A 42 2.851 -12.432 7.565 1.00 0.00 C ATOM 0 H ALA A 42 1.265 -14.661 7.520 1.00 0.00 H new ATOM 0 HA ALA A 42 2.911 -13.250 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.053 -11.412 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.785 -12.912 7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.172 -12.412 6.712 1.00 0.00 H new ATOM 611 N LEU A 43 0.919 -12.146 10.455 1.00 0.00 N ATOM 612 CA LEU A 43 -0.238 -11.470 11.033 1.00 0.00 C ATOM 613 C LEU A 43 -0.171 -9.967 10.785 1.00 0.00 C ATOM 614 O LEU A 43 0.702 -9.278 11.314 1.00 0.00 O ATOM 615 CB LEU A 43 -0.316 -11.747 12.536 1.00 0.00 C ATOM 616 CG LEU A 43 -1.069 -13.013 12.947 1.00 0.00 C ATOM 617 CD1 LEU A 43 -0.159 -14.228 12.860 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.632 -12.865 14.353 1.00 0.00 C ATOM 0 H LEU A 43 1.686 -12.302 11.108 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.134 -11.859 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.700 -11.809 12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.791 -10.893 13.018 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.900 -13.158 12.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.712 -15.119 13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.195 -14.345 11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.694 -14.092 13.526 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.165 -13.775 14.629 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.816 -12.695 15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.319 -12.019 14.383 1.00 0.00 H new ATOM 630 N PHE A 44 -1.099 -9.463 9.979 1.00 0.00 N ATOM 631 CA PHE A 44 -1.147 -8.041 9.661 1.00 0.00 C ATOM 632 C PHE A 44 -2.390 -7.391 10.262 1.00 0.00 C ATOM 633 O PHE A 44 -3.374 -8.066 10.559 1.00 0.00 O ATOM 634 CB PHE A 44 -1.132 -7.835 8.145 1.00 0.00 C ATOM 635 CG PHE A 44 -2.467 -8.067 7.495 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.978 -9.349 7.371 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.209 -7.003 7.008 1.00 0.00 C ATOM 638 CE1 PHE A 44 -4.206 -9.566 6.775 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.438 -7.214 6.411 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.936 -8.497 6.293 1.00 0.00 C ATOM 0 H PHE A 44 -1.829 -10.019 9.534 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.266 -7.567 10.094 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.803 -6.819 7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.399 -8.509 7.702 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.410 -10.188 7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.823 -5.998 7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.594 -10.570 6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.008 -6.376 6.037 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.895 -8.664 5.825 1.00 0.00 H new ATOM 650 N ASN A 45 -2.335 -6.074 10.438 1.00 0.00 N ATOM 651 CA ASN A 45 -3.455 -5.332 11.005 1.00 0.00 C ATOM 652 C ASN A 45 -3.392 -3.862 10.603 1.00 0.00 C ATOM 653 O ASN A 45 -2.322 -3.253 10.601 1.00 0.00 O ATOM 654 CB ASN A 45 -3.456 -5.455 12.530 1.00 0.00 C ATOM 655 CG ASN A 45 -3.072 -6.846 12.998 1.00 0.00 C ATOM 656 OD1 ASN A 45 -3.877 -7.776 12.941 1.00 0.00 O ATOM 657 ND2 ASN A 45 -1.837 -6.993 13.464 1.00 0.00 N ATOM 0 H ASN A 45 -1.527 -5.500 10.196 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.378 -5.759 10.612 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.761 -4.728 12.951 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.447 -5.207 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.521 -7.905 13.793 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.204 -6.194 13.492 1.00 0.00 H new ATOM 664 N MET A 46 -4.546 -3.297 10.263 1.00 0.00 N ATOM 665 CA MET A 46 -4.622 -1.897 9.860 1.00 0.00 C ATOM 666 C MET A 46 -4.667 -0.983 11.080 1.00 0.00 C ATOM 667 O MET A 46 -5.089 -1.393 12.162 1.00 0.00 O ATOM 668 CB MET A 46 -5.855 -1.662 8.986 1.00 0.00 C ATOM 669 CG MET A 46 -5.894 -2.536 7.742 1.00 0.00 C ATOM 670 SD MET A 46 -4.588 -2.130 6.568 1.00 0.00 S ATOM 671 CE MET A 46 -4.611 -0.341 6.640 1.00 0.00 C ATOM 0 H MET A 46 -5.441 -3.787 10.258 1.00 0.00 H new ATOM 0 HA MET A 46 -3.727 -1.661 9.284 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.751 -1.847 9.579 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.883 -0.615 8.685 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.802 -3.582 8.034 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.863 -2.425 7.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.185 0.066 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.639 0.006 6.748 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.023 -0.004 7.494 1.00 0.00 H new ATOM 681 N THR A 47 -4.230 0.260 10.899 1.00 0.00 N ATOM 682 CA THR A 47 -4.220 1.232 11.985 1.00 0.00 C ATOM 683 C THR A 47 -5.228 2.348 11.734 1.00 0.00 C ATOM 684 O THR A 47 -5.371 2.849 10.618 1.00 0.00 O ATOM 685 CB THR A 47 -2.822 1.851 12.171 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.864 0.824 12.447 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.826 2.866 13.305 1.00 0.00 C ATOM 0 H THR A 47 -3.878 0.617 10.010 1.00 0.00 H new ATOM 0 HA THR A 47 -4.496 0.695 12.893 1.00 0.00 H new ATOM 0 HB THR A 47 -2.550 2.362 11.248 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.522 0.932 13.359 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.828 3.290 13.418 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.535 3.662 13.078 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.118 2.374 14.233 1.00 0.00 H new ATOM 695 N PRO A 48 -5.945 2.748 12.794 1.00 0.00 N ATOM 696 CA PRO A 48 -6.952 3.810 12.714 1.00 0.00 C ATOM 697 C PRO A 48 -6.328 5.184 12.493 1.00 0.00 C ATOM 698 O PRO A 48 -5.446 5.619 13.234 1.00 0.00 O ATOM 699 CB PRO A 48 -7.642 3.749 14.079 1.00 0.00 C ATOM 700 CG PRO A 48 -6.625 3.157 14.991 1.00 0.00 C ATOM 701 CD PRO A 48 -5.827 2.195 14.154 1.00 0.00 C ATOM 0 HA PRO A 48 -7.630 3.667 11.872 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.945 4.741 14.414 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.543 3.137 14.040 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.984 3.930 15.415 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.102 2.645 15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.788 2.146 14.479 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.228 1.183 14.213 1.00 0.00 H new ATOM 709 N PRO A 49 -6.796 5.887 11.450 1.00 0.00 N ATOM 710 CA PRO A 49 -6.299 7.223 11.109 1.00 0.00 C ATOM 711 C PRO A 49 -6.716 8.275 12.130 1.00 0.00 C ATOM 712 O PRO A 49 -7.630 8.056 12.925 1.00 0.00 O ATOM 713 CB PRO A 49 -6.949 7.507 9.752 1.00 0.00 C ATOM 714 CG PRO A 49 -8.180 6.669 9.739 1.00 0.00 C ATOM 715 CD PRO A 49 -7.847 5.431 10.525 1.00 0.00 C ATOM 0 HA PRO A 49 -5.210 7.261 11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.189 8.565 9.642 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.282 7.244 8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.019 7.201 10.187 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.470 6.417 8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.716 5.049 11.061 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.493 4.628 9.879 1.00 0.00 H new ATOM 723 N THR A 50 -6.040 9.420 12.103 1.00 0.00 N ATOM 724 CA THR A 50 -6.340 10.506 13.027 1.00 0.00 C ATOM 725 C THR A 50 -7.032 11.661 12.312 1.00 0.00 C ATOM 726 O THR A 50 -7.775 12.428 12.925 1.00 0.00 O ATOM 727 CB THR A 50 -5.063 11.032 13.710 1.00 0.00 C ATOM 728 OG1 THR A 50 -4.226 11.683 12.749 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.297 9.896 14.371 1.00 0.00 C ATOM 0 H THR A 50 -5.281 9.619 11.451 1.00 0.00 H new ATOM 0 HA THR A 50 -7.008 10.099 13.786 1.00 0.00 H new ATOM 0 HB THR A 50 -5.356 11.747 14.478 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.417 12.016 13.192 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.399 10.291 14.847 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.927 9.421 15.123 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.015 9.161 13.618 1.00 0.00 H new ATOM 737 N SER A 51 -6.784 11.779 11.012 1.00 0.00 N ATOM 738 CA SER A 51 -7.381 12.843 10.213 1.00 0.00 C ATOM 739 C SER A 51 -8.765 12.437 9.714 1.00 0.00 C ATOM 740 O SER A 51 -9.007 11.271 9.402 1.00 0.00 O ATOM 741 CB SER A 51 -6.480 13.186 9.026 1.00 0.00 C ATOM 742 OG SER A 51 -6.982 14.301 8.309 1.00 0.00 O ATOM 0 H SER A 51 -6.174 11.151 10.489 1.00 0.00 H new ATOM 0 HA SER A 51 -7.486 13.723 10.847 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.472 13.402 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.406 12.325 8.361 1.00 0.00 H new ATOM 0 HG SER A 51 -6.387 14.501 7.556 1.00 0.00 H new ATOM 748 N ALA A 52 -9.670 13.408 9.643 1.00 0.00 N ATOM 749 CA ALA A 52 -11.029 13.153 9.181 1.00 0.00 C ATOM 750 C ALA A 52 -11.026 12.443 7.832 1.00 0.00 C ATOM 751 O ALA A 52 -11.723 11.446 7.641 1.00 0.00 O ATOM 752 CB ALA A 52 -11.809 14.456 9.093 1.00 0.00 C ATOM 0 H ALA A 52 -9.487 14.378 9.899 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.516 12.499 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.822 14.251 8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.849 14.923 10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.315 15.129 8.392 1.00 0.00 H new ATOM 758 N LEU A 53 -10.238 12.963 6.897 1.00 0.00 N ATOM 759 CA LEU A 53 -10.145 12.379 5.563 1.00 0.00 C ATOM 760 C LEU A 53 -9.629 10.946 5.631 1.00 0.00 C ATOM 761 O LEU A 53 -10.107 10.068 4.914 1.00 0.00 O ATOM 762 CB LEU A 53 -9.225 13.223 4.679 1.00 0.00 C ATOM 763 CG LEU A 53 -9.502 13.167 3.176 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.381 11.741 2.664 1.00 0.00 C ATOM 765 CD2 LEU A 53 -10.881 13.732 2.867 1.00 0.00 C ATOM 0 H LEU A 53 -9.654 13.788 7.038 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.145 12.365 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.296 14.261 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.197 12.905 4.851 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.758 13.778 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.581 11.721 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.373 11.371 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.102 11.107 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.061 13.684 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.639 13.148 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.932 14.769 3.198 1.00 0.00 H new ATOM 777 N GLY A 54 -8.650 10.715 6.501 1.00 0.00 N ATOM 778 CA GLY A 54 -8.086 9.386 6.649 1.00 0.00 C ATOM 779 C GLY A 54 -9.117 8.365 7.090 1.00 0.00 C ATOM 780 O GLY A 54 -9.124 7.233 6.610 1.00 0.00 O ATOM 0 H GLY A 54 -8.237 11.425 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.650 9.072 5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.276 9.417 7.377 1.00 0.00 H new ATOM 784 N ALA A 55 -9.988 8.767 8.010 1.00 0.00 N ATOM 785 CA ALA A 55 -11.028 7.879 8.516 1.00 0.00 C ATOM 786 C ALA A 55 -11.943 7.408 7.391 1.00 0.00 C ATOM 787 O ALA A 55 -12.241 6.218 7.277 1.00 0.00 O ATOM 788 CB ALA A 55 -11.836 8.577 9.600 1.00 0.00 C ATOM 0 H ALA A 55 -9.994 9.701 8.420 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.545 7.002 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.609 7.903 9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.177 8.857 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.302 9.472 9.187 1.00 0.00 H new ATOM 794 N CYS A 56 -12.387 8.347 6.563 1.00 0.00 N ATOM 795 CA CYS A 56 -13.270 8.028 5.448 1.00 0.00 C ATOM 796 C CYS A 56 -12.869 6.708 4.797 1.00 0.00 C ATOM 797 O CYS A 56 -13.723 5.904 4.421 1.00 0.00 O ATOM 798 CB CYS A 56 -13.242 9.151 4.410 1.00 0.00 C ATOM 799 SG CYS A 56 -13.812 10.749 5.036 1.00 0.00 S ATOM 0 H CYS A 56 -12.150 9.336 6.643 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.283 7.928 5.837 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.224 9.261 4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.863 8.863 3.562 1.00 0.00 H new ATOM 0 HG CYS A 56 -13.061 11.118 6.031 1.00 0.00 H new ATOM 805 N PHE A 57 -11.565 6.492 4.665 1.00 0.00 N ATOM 806 CA PHE A 57 -11.050 5.270 4.057 1.00 0.00 C ATOM 807 C PHE A 57 -11.381 4.054 4.917 1.00 0.00 C ATOM 808 O PHE A 57 -11.498 4.155 6.138 1.00 0.00 O ATOM 809 CB PHE A 57 -9.536 5.373 3.859 1.00 0.00 C ATOM 810 CG PHE A 57 -9.140 6.249 2.706 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.205 7.629 2.813 1.00 0.00 C ATOM 812 CD2 PHE A 57 -8.703 5.694 1.514 1.00 0.00 C ATOM 813 CE1 PHE A 57 -8.842 8.438 1.753 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.338 6.497 0.450 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.407 7.872 0.570 1.00 0.00 C ATOM 0 H PHE A 57 -10.845 7.147 4.971 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.529 5.147 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.084 5.761 4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.129 4.374 3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.543 8.078 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.647 4.620 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.898 9.512 1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.000 6.051 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.122 8.503 -0.259 1.00 0.00 H new ATOM 825 N VAL A 58 -11.530 2.902 4.269 1.00 0.00 N ATOM 826 CA VAL A 58 -11.847 1.665 4.973 1.00 0.00 C ATOM 827 C VAL A 58 -11.050 0.494 4.411 1.00 0.00 C ATOM 828 O VAL A 58 -11.315 0.022 3.305 1.00 0.00 O ATOM 829 CB VAL A 58 -13.350 1.338 4.885 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.657 0.039 5.614 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.178 2.484 5.447 1.00 0.00 C ATOM 0 H VAL A 58 -11.436 2.800 3.258 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.577 1.817 6.018 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.616 1.209 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.723 -0.176 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.091 -0.775 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.377 0.136 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.237 2.236 5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -13.912 2.647 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -13.979 3.391 4.876 1.00 0.00 H new ATOM 841 N PHE A 59 -10.071 0.028 5.180 1.00 0.00 N ATOM 842 CA PHE A 59 -9.233 -1.089 4.759 1.00 0.00 C ATOM 843 C PHE A 59 -9.715 -2.395 5.384 1.00 0.00 C ATOM 844 O PHE A 59 -10.068 -2.439 6.562 1.00 0.00 O ATOM 845 CB PHE A 59 -7.775 -0.833 5.144 1.00 0.00 C ATOM 846 CG PHE A 59 -7.072 0.126 4.226 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.430 1.464 4.195 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.052 -0.311 3.396 1.00 0.00 C ATOM 849 CE1 PHE A 59 -6.785 2.348 3.351 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.404 0.569 2.550 1.00 0.00 C ATOM 851 CZ PHE A 59 -5.770 1.900 2.528 1.00 0.00 C ATOM 0 H PHE A 59 -9.839 0.407 6.098 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.305 -1.177 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.739 -0.442 6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.237 -1.781 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.222 1.820 4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.760 -1.351 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.074 3.388 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.612 0.216 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.264 2.590 1.869 1.00 0.00 H new ATOM 861 N SER A 60 -9.725 -3.458 4.585 1.00 0.00 N ATOM 862 CA SER A 60 -10.167 -4.765 5.057 1.00 0.00 C ATOM 863 C SER A 60 -9.430 -5.883 4.328 1.00 0.00 C ATOM 864 O SER A 60 -8.907 -5.703 3.228 1.00 0.00 O ATOM 865 CB SER A 60 -11.676 -4.919 4.859 1.00 0.00 C ATOM 866 OG SER A 60 -12.395 -4.325 5.926 1.00 0.00 O ATOM 0 H SER A 60 -9.432 -3.439 3.608 1.00 0.00 H new ATOM 0 HA SER A 60 -9.939 -4.836 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.971 -4.458 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.930 -5.977 4.789 1.00 0.00 H new ATOM 0 HG SER A 60 -11.827 -3.665 6.375 1.00 0.00 H new ATOM 872 N PRO A 61 -9.386 -7.069 4.954 1.00 0.00 N ATOM 873 CA PRO A 61 -10.005 -7.295 6.264 1.00 0.00 C ATOM 874 C PRO A 61 -9.273 -6.566 7.384 1.00 0.00 C ATOM 875 O PRO A 61 -8.042 -6.553 7.431 1.00 0.00 O ATOM 876 CB PRO A 61 -9.895 -8.811 6.450 1.00 0.00 C ATOM 877 CG PRO A 61 -8.732 -9.212 5.611 1.00 0.00 C ATOM 878 CD PRO A 61 -8.730 -8.279 4.432 1.00 0.00 C ATOM 0 HA PRO A 61 -11.028 -6.920 6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.736 -9.071 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.807 -9.316 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.801 -9.134 6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.823 -10.249 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.718 -8.070 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.275 -8.699 3.586 1.00 0.00 H new ATOM 886 N LYS A 62 -10.036 -5.959 8.287 1.00 0.00 N ATOM 887 CA LYS A 62 -9.461 -5.228 9.410 1.00 0.00 C ATOM 888 C LYS A 62 -8.191 -5.910 9.909 1.00 0.00 C ATOM 889 O LYS A 62 -7.273 -5.251 10.398 1.00 0.00 O ATOM 890 CB LYS A 62 -10.476 -5.121 10.549 1.00 0.00 C ATOM 891 CG LYS A 62 -10.908 -6.465 11.108 1.00 0.00 C ATOM 892 CD LYS A 62 -12.037 -7.072 10.293 1.00 0.00 C ATOM 893 CE LYS A 62 -12.908 -7.987 11.140 1.00 0.00 C ATOM 894 NZ LYS A 62 -13.712 -8.919 10.302 1.00 0.00 N ATOM 0 H LYS A 62 -11.056 -5.959 8.263 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.204 -4.226 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.045 -4.524 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.356 -4.586 10.191 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.057 -7.147 11.117 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.230 -6.343 12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.649 -6.276 9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.622 -7.635 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.278 -8.561 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.576 -7.385 11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.292 -9.526 10.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.332 -8.372 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.075 -9.512 9.733 1.00 0.00 H new ATOM 908 N GLU A 63 -8.145 -7.233 9.782 1.00 0.00 N ATOM 909 CA GLU A 63 -6.987 -8.002 10.220 1.00 0.00 C ATOM 910 C GLU A 63 -7.050 -9.431 9.689 1.00 0.00 C ATOM 911 O GLU A 63 -8.098 -9.890 9.235 1.00 0.00 O ATOM 912 CB GLU A 63 -6.905 -8.017 11.748 1.00 0.00 C ATOM 913 CG GLU A 63 -7.659 -9.172 12.386 1.00 0.00 C ATOM 914 CD GLU A 63 -7.772 -9.033 13.892 1.00 0.00 C ATOM 915 OE1 GLU A 63 -8.079 -7.918 14.363 1.00 0.00 O ATOM 916 OE2 GLU A 63 -7.552 -10.039 14.599 1.00 0.00 O ATOM 0 H GLU A 63 -8.896 -7.794 9.380 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.093 -7.523 9.820 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.858 -8.068 12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.301 -7.078 12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.658 -9.232 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.153 -10.107 12.148 1.00 0.00 H new ATOM 923 N GLY A 64 -5.921 -10.130 9.749 1.00 0.00 N ATOM 924 CA GLY A 64 -5.868 -11.499 9.271 1.00 0.00 C ATOM 925 C GLY A 64 -4.449 -12.012 9.135 1.00 0.00 C ATOM 926 O GLY A 64 -3.556 -11.589 9.870 1.00 0.00 O ATOM 0 H GLY A 64 -5.041 -9.772 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.419 -12.142 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.368 -11.563 8.305 1.00 0.00 H new ATOM 930 N ILE A 65 -4.239 -12.927 8.194 1.00 0.00 N ATOM 931 CA ILE A 65 -2.918 -13.498 7.966 1.00 0.00 C ATOM 932 C ILE A 65 -2.630 -13.637 6.475 1.00 0.00 C ATOM 933 O ILE A 65 -3.538 -13.868 5.676 1.00 0.00 O ATOM 934 CB ILE A 65 -2.778 -14.878 8.635 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.079 -14.776 10.132 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.381 -15.438 8.408 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.510 -16.087 10.752 1.00 0.00 C ATOM 0 H ILE A 65 -4.967 -13.288 7.578 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.197 -12.813 8.411 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.499 -15.559 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.191 -14.413 10.649 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.863 -14.035 10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.298 -16.414 8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.200 -15.542 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.643 -14.760 8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.707 -15.940 11.814 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.416 -16.441 10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.718 -16.826 10.629 1.00 0.00 H new ATOM 949 N ILE A 66 -1.361 -13.498 6.108 1.00 0.00 N ATOM 950 CA ILE A 66 -0.952 -13.611 4.713 1.00 0.00 C ATOM 951 C ILE A 66 0.051 -14.744 4.524 1.00 0.00 C ATOM 952 O ILE A 66 1.227 -14.606 4.859 1.00 0.00 O ATOM 953 CB ILE A 66 -0.331 -12.299 4.200 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.219 -11.110 4.570 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.125 -12.364 2.694 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.644 -9.773 4.157 1.00 0.00 C ATOM 0 H ILE A 66 -0.598 -13.307 6.757 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.852 -13.826 4.137 1.00 0.00 H new ATOM 0 HB ILE A 66 0.641 -12.164 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.195 -11.237 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.380 -11.109 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.315 -11.429 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.543 -13.191 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.085 -12.519 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.327 -8.976 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.319 -9.624 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.509 -9.754 3.076 1.00 0.00 H new ATOM 968 N GLU A 67 -0.422 -15.863 3.983 1.00 0.00 N ATOM 969 CA GLU A 67 0.435 -17.019 3.749 1.00 0.00 C ATOM 970 C GLU A 67 1.807 -16.585 3.241 1.00 0.00 C ATOM 971 O GLU A 67 1.953 -15.566 2.565 1.00 0.00 O ATOM 972 CB GLU A 67 -0.216 -17.969 2.742 1.00 0.00 C ATOM 973 CG GLU A 67 -0.713 -17.276 1.485 1.00 0.00 C ATOM 974 CD GLU A 67 -1.738 -18.101 0.730 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.943 -17.968 1.028 1.00 0.00 O ATOM 976 OE2 GLU A 67 -1.333 -18.879 -0.159 1.00 0.00 O ATOM 0 H GLU A 67 -1.393 -15.993 3.699 1.00 0.00 H new ATOM 0 HA GLU A 67 0.566 -17.540 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.504 -18.738 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.053 -18.476 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.152 -16.315 1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.133 -17.068 0.831 1.00 0.00 H new ATOM 983 N PRO A 68 2.838 -17.375 3.574 1.00 0.00 N ATOM 984 CA PRO A 68 4.217 -17.093 3.162 1.00 0.00 C ATOM 985 C PRO A 68 4.426 -17.287 1.664 1.00 0.00 C ATOM 986 O PRO A 68 3.917 -18.241 1.075 1.00 0.00 O ATOM 987 CB PRO A 68 5.039 -18.114 3.953 1.00 0.00 C ATOM 988 CG PRO A 68 4.094 -19.235 4.222 1.00 0.00 C ATOM 989 CD PRO A 68 2.738 -18.605 4.378 1.00 0.00 C ATOM 0 HA PRO A 68 4.497 -16.057 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.904 -18.453 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.418 -17.684 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.098 -19.954 3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.378 -19.777 5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.946 -19.260 4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.515 -18.385 5.422 1.00 0.00 H new ATOM 997 N SER A 69 5.178 -16.377 1.054 1.00 0.00 N ATOM 998 CA SER A 69 5.451 -16.446 -0.377 1.00 0.00 C ATOM 999 C SER A 69 4.158 -16.351 -1.182 1.00 0.00 C ATOM 1000 O SER A 69 4.058 -16.892 -2.282 1.00 0.00 O ATOM 1001 CB SER A 69 6.181 -17.747 -0.716 1.00 0.00 C ATOM 1002 OG SER A 69 7.536 -17.694 -0.303 1.00 0.00 O ATOM 0 H SER A 69 5.609 -15.583 1.528 1.00 0.00 H new ATOM 0 HA SER A 69 6.087 -15.601 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.682 -18.585 -0.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.132 -17.926 -1.790 1.00 0.00 H new ATOM 0 HG SER A 69 7.980 -18.538 -0.529 1.00 0.00 H new ATOM 1008 N GLY A 70 3.170 -15.658 -0.624 1.00 0.00 N ATOM 1009 CA GLY A 70 1.897 -15.503 -1.303 1.00 0.00 C ATOM 1010 C GLY A 70 1.469 -14.053 -1.409 1.00 0.00 C ATOM 1011 O GLY A 70 2.306 -13.156 -1.507 1.00 0.00 O ATOM 0 H GLY A 70 3.229 -15.201 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.967 -15.932 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.132 -16.066 -0.768 1.00 0.00 H new ATOM 1015 N VAL A 71 0.160 -13.821 -1.392 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.378 -12.470 -1.488 1.00 0.00 C ATOM 1017 C VAL A 71 -1.734 -12.368 -0.798 1.00 0.00 C ATOM 1018 O VAL A 71 -2.367 -13.381 -0.501 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.527 -12.028 -2.956 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.838 -11.870 -3.607 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.383 -13.021 -3.727 1.00 0.00 C ATOM 0 H VAL A 71 -0.547 -14.552 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 71 0.332 -11.811 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.027 -11.060 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.713 -11.557 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.413 -11.117 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.368 -12.822 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.478 -12.693 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.914 -14.004 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.372 -13.078 -3.273 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.174 -11.139 -0.548 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.455 -10.905 0.108 1.00 0.00 C ATOM 1033 C GLN A 72 -4.160 -9.694 -0.492 1.00 0.00 C ATOM 1034 O GLN A 72 -3.594 -8.603 -0.559 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.253 -10.700 1.610 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.518 -10.282 2.342 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.597 -11.347 2.300 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.307 -12.542 2.343 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -6.850 -10.917 2.214 1.00 0.00 N ATOM 0 H GLN A 72 -1.662 -10.290 -0.790 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.081 -11.783 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.879 -11.626 2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.486 -9.941 1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.275 -10.058 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.903 -9.363 1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.045 -9.916 2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.618 -11.587 2.181 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.400 -9.893 -0.929 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.183 -8.816 -1.522 1.00 0.00 C ATOM 1050 C ALA A 73 -6.827 -7.949 -0.446 1.00 0.00 C ATOM 1051 O ALA A 73 -7.639 -8.427 0.346 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.246 -9.386 -2.450 1.00 0.00 C ATOM 0 H ALA A 73 -5.883 -10.790 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.509 -8.187 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.823 -8.571 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.767 -9.957 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.910 -10.039 -1.884 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.459 -6.672 -0.424 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.002 -5.738 0.555 1.00 0.00 C ATOM 1060 C ILE A 74 -8.095 -4.871 -0.059 1.00 0.00 C ATOM 1061 O ILE A 74 -7.865 -4.176 -1.049 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.903 -4.827 1.133 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.797 -5.668 1.775 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.496 -3.860 2.147 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.086 -6.053 3.209 1.00 0.00 C ATOM 0 H ILE A 74 -5.788 -6.261 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.427 -6.337 1.360 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.467 -4.248 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.652 -6.574 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.861 -5.111 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.707 -3.223 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.251 -3.242 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.955 -4.422 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.260 -6.648 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.201 -5.152 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.005 -6.637 3.251 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.283 -4.916 0.535 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.411 -4.132 0.046 1.00 0.00 C ATOM 1079 C GLN A 75 -10.416 -2.739 0.666 1.00 0.00 C ATOM 1080 O GLN A 75 -10.670 -2.582 1.861 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.728 -4.846 0.357 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.123 -5.876 -0.689 1.00 0.00 C ATOM 1083 CD GLN A 75 -11.025 -6.886 -0.959 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -10.499 -7.509 -0.037 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -10.673 -7.053 -2.228 1.00 0.00 N ATOM 0 H GLN A 75 -9.489 -5.487 1.355 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.308 -4.028 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.645 -5.338 1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.522 -4.104 0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.019 -6.400 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.378 -5.365 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.136 -6.515 -2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.940 -7.719 -2.470 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.134 -1.732 -0.153 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.106 -0.352 0.315 1.00 0.00 C ATOM 1096 C ILE A 76 -11.299 0.434 -0.219 1.00 0.00 C ATOM 1097 O ILE A 76 -11.644 0.334 -1.396 1.00 0.00 O ATOM 1098 CB ILE A 76 -8.807 0.360 -0.106 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.604 -0.270 0.598 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -8.892 1.847 0.207 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.296 -0.056 -0.132 1.00 0.00 C ATOM 0 H ILE A 76 -9.922 -1.846 -1.144 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.155 -0.388 1.403 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.678 0.242 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.522 0.146 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.778 -1.340 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.966 2.336 -0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.729 2.286 -0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.041 1.985 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.487 -0.529 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.358 -0.497 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.099 1.012 -0.220 1.00 0.00 H new ATOM 1113 N SER A 77 -11.924 1.217 0.654 1.00 0.00 N ATOM 1114 CA SER A 77 -13.080 2.019 0.271 1.00 0.00 C ATOM 1115 C SER A 77 -12.971 3.433 0.834 1.00 0.00 C ATOM 1116 O SER A 77 -12.821 3.623 2.041 1.00 0.00 O ATOM 1117 CB SER A 77 -14.370 1.360 0.763 1.00 0.00 C ATOM 1118 OG SER A 77 -14.827 0.384 -0.158 1.00 0.00 O ATOM 0 H SER A 77 -11.649 1.313 1.632 1.00 0.00 H new ATOM 0 HA SER A 77 -13.104 2.081 -0.817 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.198 0.896 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.139 2.119 0.905 1.00 0.00 H new ATOM 0 HG SER A 77 -15.652 -0.024 0.180 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.049 4.423 -0.049 1.00 0.00 N ATOM 1125 CA PHE A 78 -12.958 5.820 0.358 1.00 0.00 C ATOM 1126 C PHE A 78 -14.200 6.594 -0.073 1.00 0.00 C ATOM 1127 O PHE A 78 -14.838 6.259 -1.071 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.707 6.467 -0.240 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.678 7.962 -0.095 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.863 8.555 1.143 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.467 8.774 -1.198 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.837 9.931 1.279 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.440 10.149 -1.068 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.626 10.729 0.172 1.00 0.00 C ATOM 0 H PHE A 78 -13.175 4.283 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.891 5.852 1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.824 6.046 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.646 6.211 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.029 7.936 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.322 8.327 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.982 10.381 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.274 10.770 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.606 11.804 0.275 1.00 0.00 H new ATOM 1144 N SER A 79 -14.538 7.630 0.688 1.00 0.00 N ATOM 1145 CA SER A 79 -15.706 8.450 0.388 1.00 0.00 C ATOM 1146 C SER A 79 -15.793 9.640 1.339 1.00 0.00 C ATOM 1147 O SER A 79 -16.021 9.475 2.538 1.00 0.00 O ATOM 1148 CB SER A 79 -16.982 7.611 0.484 1.00 0.00 C ATOM 1149 OG SER A 79 -17.352 7.398 1.835 1.00 0.00 O ATOM 0 H SER A 79 -14.020 7.921 1.517 1.00 0.00 H new ATOM 0 HA SER A 79 -15.603 8.827 -0.629 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.792 8.114 -0.043 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.828 6.652 -0.010 1.00 0.00 H new ATOM 0 HG SER A 79 -16.710 7.846 2.425 1.00 0.00 H new ATOM 1155 N SER A 80 -15.611 10.839 0.795 1.00 0.00 N ATOM 1156 CA SER A 80 -15.665 12.057 1.595 1.00 0.00 C ATOM 1157 C SER A 80 -16.415 13.160 0.854 1.00 0.00 C ATOM 1158 O SER A 80 -16.821 12.985 -0.295 1.00 0.00 O ATOM 1159 CB SER A 80 -14.251 12.529 1.939 1.00 0.00 C ATOM 1160 OG SER A 80 -14.279 13.549 2.923 1.00 0.00 O ATOM 0 H SER A 80 -15.425 10.993 -0.196 1.00 0.00 H new ATOM 0 HA SER A 80 -16.201 11.833 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.661 11.687 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.759 12.900 1.040 1.00 0.00 H new ATOM 0 HG SER A 80 -14.151 13.152 3.810 1.00 0.00 H new ATOM 1166 N ILE A 81 -16.595 14.295 1.521 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.295 15.427 0.927 1.00 0.00 C ATOM 1168 C ILE A 81 -16.417 16.674 0.918 1.00 0.00 C ATOM 1169 O ILE A 81 -16.629 17.589 0.123 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.602 15.739 1.679 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.300 16.148 3.122 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -19.531 14.535 1.648 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -18.036 17.628 3.288 1.00 0.00 C ATOM 0 H ILE A 81 -16.266 14.455 2.473 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.534 15.146 -0.099 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.100 16.571 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.141 15.864 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.432 15.591 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.451 14.771 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.768 14.284 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.042 13.685 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.829 17.845 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.177 17.915 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.911 18.192 2.966 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.429 16.701 1.807 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.517 17.834 1.899 1.00 0.00 C ATOM 1187 C ILE A 82 -13.733 18.015 0.604 1.00 0.00 C ATOM 1188 O ILE A 82 -12.606 17.534 0.475 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.526 17.665 3.066 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.282 17.429 4.375 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.628 18.888 3.180 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -13.515 16.591 5.374 1.00 0.00 C ATOM 0 H ILE A 82 -15.240 15.952 2.473 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.129 18.718 2.077 1.00 0.00 H new ATOM 0 HB ILE A 82 -12.899 16.796 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.519 18.392 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.230 16.939 4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.933 18.753 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.067 19.015 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.239 19.773 3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.112 16.465 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.301 15.614 4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.579 17.090 5.624 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.334 18.714 -0.352 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.692 18.961 -1.639 1.00 0.00 C ATOM 1206 C LEU A 83 -12.256 19.439 -1.447 1.00 0.00 C ATOM 1207 O LEU A 83 -11.897 19.950 -0.387 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.485 19.999 -2.435 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.907 19.600 -2.829 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.598 20.740 -3.562 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -15.890 18.344 -3.688 1.00 0.00 C ATOM 0 H LEU A 83 -15.265 19.120 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.673 18.023 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.536 20.916 -1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.930 20.232 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.469 19.387 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.609 20.437 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.643 21.615 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.037 20.986 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.911 18.075 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.311 18.530 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.436 17.526 -3.128 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.439 19.270 -2.482 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.052 19.691 -2.408 1.00 0.00 C ATOM 1225 C GLY A 84 -9.100 18.523 -2.241 1.00 0.00 C ATOM 1226 O GLY A 84 -9.403 17.563 -1.533 1.00 0.00 O ATOM 0 H GLY A 84 -11.713 18.849 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.793 20.240 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.928 20.379 -1.572 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.946 18.604 -2.896 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.947 17.544 -2.818 1.00 0.00 C ATOM 1232 C ASN A 85 -6.656 17.176 -1.366 1.00 0.00 C ATOM 1233 O ASN A 85 -6.842 17.988 -0.460 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.656 17.978 -3.515 1.00 0.00 C ATOM 1235 CG ASN A 85 -4.860 18.971 -2.690 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -4.468 18.681 -1.559 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -4.617 20.148 -3.253 1.00 0.00 N ATOM 0 H ASN A 85 -7.680 19.392 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.347 16.665 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.041 17.100 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.899 18.423 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.086 20.856 -2.746 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.961 20.345 -4.193 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.196 15.948 -1.153 1.00 0.00 N ATOM 1245 CA PHE A 86 -5.879 15.472 0.188 1.00 0.00 C ATOM 1246 C PHE A 86 -4.822 14.372 0.140 1.00 0.00 C ATOM 1247 O PHE A 86 -4.895 13.464 -0.688 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.141 14.952 0.880 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.667 13.676 0.287 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.016 12.473 0.508 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.813 13.680 -0.492 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.497 11.298 -0.037 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.299 12.507 -1.040 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.641 11.315 -0.811 1.00 0.00 C ATOM 0 H PHE A 86 -6.034 15.264 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.480 16.311 0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.926 14.791 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -7.917 15.716 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.122 12.454 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.332 14.609 -0.673 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.979 10.367 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.192 12.523 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.020 10.397 -1.236 1.00 0.00 H new ATOM 1264 N GLU A 87 -3.841 14.462 1.032 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.769 13.476 1.090 1.00 0.00 C ATOM 1266 C GLU A 87 -2.665 12.866 2.485 1.00 0.00 C ATOM 1267 O GLU A 87 -2.363 13.559 3.455 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.435 14.117 0.701 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.284 13.128 0.624 1.00 0.00 C ATOM 1270 CD GLU A 87 0.891 13.661 -0.172 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.684 14.065 -1.336 1.00 0.00 O ATOM 1272 OE2 GLU A 87 2.017 13.676 0.367 1.00 0.00 O ATOM 0 H GLU A 87 -3.767 15.207 1.724 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.003 12.681 0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.546 14.609 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.189 14.892 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.047 12.882 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.636 12.202 0.170 1.00 0.00 H new ATOM 1279 N GLU A 88 -2.919 11.564 2.575 1.00 0.00 N ATOM 1280 CA GLU A 88 -2.855 10.861 3.851 1.00 0.00 C ATOM 1281 C GLU A 88 -2.036 9.579 3.726 1.00 0.00 C ATOM 1282 O GLU A 88 -1.785 9.097 2.622 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.265 10.532 4.348 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.151 11.755 4.517 1.00 0.00 C ATOM 1285 CD GLU A 88 -4.545 12.790 5.445 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.001 12.397 6.498 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -4.614 13.993 5.118 1.00 0.00 O ATOM 0 H GLU A 88 -3.171 10.976 1.781 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.366 11.515 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.738 9.845 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.192 10.011 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.330 12.207 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.121 11.446 4.907 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.624 9.034 4.866 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.832 7.809 4.883 1.00 0.00 C ATOM 1296 C GLU A 89 -1.354 6.839 5.939 1.00 0.00 C ATOM 1297 O GLU A 89 -1.617 7.227 7.078 1.00 0.00 O ATOM 1298 CB GLU A 89 0.639 8.131 5.153 1.00 0.00 C ATOM 1299 CG GLU A 89 1.173 9.283 4.318 1.00 0.00 C ATOM 1300 CD GLU A 89 2.360 9.970 4.965 1.00 0.00 C ATOM 1301 OE1 GLU A 89 2.762 9.548 6.070 1.00 0.00 O ATOM 1302 OE2 GLU A 89 2.887 10.931 4.366 1.00 0.00 O ATOM 0 H GLU A 89 -1.825 9.420 5.788 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.919 7.336 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.762 8.371 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.239 7.242 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.464 8.911 3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.378 10.012 4.160 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.502 5.577 5.553 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.994 4.551 6.465 1.00 0.00 C ATOM 1311 C PHE A 90 -0.869 3.608 6.881 1.00 0.00 C ATOM 1312 O PHE A 90 0.068 3.367 6.119 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.125 3.755 5.809 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.298 4.601 5.406 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.177 5.541 4.396 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.523 4.457 6.039 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.255 6.321 4.023 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.604 5.234 5.670 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.470 6.168 4.661 1.00 0.00 C ATOM 0 H PHE A 90 -1.288 5.240 4.614 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.377 5.047 7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.736 3.245 4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.464 2.984 6.500 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.229 5.666 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.633 3.729 6.829 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.147 7.050 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.553 5.111 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.314 6.777 4.372 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.967 3.079 8.096 1.00 0.00 N ATOM 1330 CA LEU A 91 0.042 2.163 8.616 1.00 0.00 C ATOM 1331 C LEU A 91 -0.572 0.806 8.945 1.00 0.00 C ATOM 1332 O LEU A 91 -1.706 0.724 9.417 1.00 0.00 O ATOM 1333 CB LEU A 91 0.701 2.754 9.863 1.00 0.00 C ATOM 1334 CG LEU A 91 1.415 4.093 9.675 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.060 4.541 10.977 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.455 3.992 8.569 1.00 0.00 C ATOM 0 H LEU A 91 -1.735 3.269 8.739 1.00 0.00 H new ATOM 0 HA LEU A 91 0.800 2.020 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.064 2.878 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.422 2.031 10.246 1.00 0.00 H new ATOM 0 HG LEU A 91 0.676 4.840 9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.563 5.496 10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.293 4.654 11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.787 3.795 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.953 4.954 8.449 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.191 3.232 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.966 3.717 7.634 1.00 0.00 H new ATOM 1348 N VAL A 92 0.185 -0.257 8.694 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.283 -1.611 8.967 1.00 0.00 C ATOM 1350 C VAL A 92 0.529 -2.258 10.083 1.00 0.00 C ATOM 1351 O VAL A 92 1.700 -2.590 9.901 1.00 0.00 O ATOM 1352 CB VAL A 92 -0.203 -2.496 7.710 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.656 -3.914 8.025 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -1.036 -1.900 6.585 1.00 0.00 C ATOM 0 H VAL A 92 1.125 -0.207 8.302 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.324 -1.529 9.279 1.00 0.00 H new ATOM 0 HB VAL A 92 0.835 -2.536 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.593 -4.525 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.014 -4.338 8.797 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.687 -3.896 8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.968 -2.539 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.077 -1.828 6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.661 -0.906 6.342 1.00 0.00 H new ATOM 1364 N ASN A 93 -0.102 -2.436 11.240 1.00 0.00 N ATOM 1365 CA ASN A 93 0.562 -3.045 12.387 1.00 0.00 C ATOM 1366 C ASN A 93 0.781 -4.537 12.160 1.00 0.00 C ATOM 1367 O ASN A 93 -0.170 -5.293 11.965 1.00 0.00 O ATOM 1368 CB ASN A 93 -0.265 -2.826 13.656 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.967 -1.482 13.664 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.361 -0.455 13.970 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -2.251 -1.484 13.328 1.00 0.00 N ATOM 0 H ASN A 93 -1.072 -2.167 11.408 1.00 0.00 H new ATOM 0 HA ASN A 93 1.535 -2.568 12.508 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.006 -3.620 13.745 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.386 -2.898 14.527 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.776 -0.610 13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.712 -2.360 13.082 1.00 0.00 H new ATOM 1378 N VAL A 94 2.043 -4.955 12.187 1.00 0.00 N ATOM 1379 CA VAL A 94 2.388 -6.358 11.986 1.00 0.00 C ATOM 1380 C VAL A 94 2.909 -6.985 13.274 1.00 0.00 C ATOM 1381 O VAL A 94 3.701 -6.380 13.995 1.00 0.00 O ATOM 1382 CB VAL A 94 3.449 -6.522 10.882 1.00 0.00 C ATOM 1383 CG1 VAL A 94 3.918 -7.967 10.802 1.00 0.00 C ATOM 1384 CG2 VAL A 94 2.900 -6.056 9.542 1.00 0.00 C ATOM 0 H VAL A 94 2.843 -4.342 12.346 1.00 0.00 H new ATOM 0 HA VAL A 94 1.475 -6.868 11.680 1.00 0.00 H new ATOM 0 HB VAL A 94 4.308 -5.900 11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.667 -8.063 10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.353 -8.262 11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.070 -8.613 10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.663 -6.179 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.024 -6.650 9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.619 -5.005 9.609 1.00 0.00 H new ATOM 1394 N ASN A 95 2.459 -8.203 13.557 1.00 0.00 N ATOM 1395 CA ASN A 95 2.880 -8.914 14.759 1.00 0.00 C ATOM 1396 C ASN A 95 4.402 -8.966 14.855 1.00 0.00 C ATOM 1397 O ASN A 95 4.999 -8.357 15.742 1.00 0.00 O ATOM 1398 CB ASN A 95 2.310 -10.334 14.763 1.00 0.00 C ATOM 1399 CG ASN A 95 3.200 -11.313 15.504 1.00 0.00 C ATOM 1400 OD1 ASN A 95 3.891 -10.944 16.454 1.00 0.00 O ATOM 1401 ND2 ASN A 95 3.188 -12.568 15.071 1.00 0.00 N ATOM 0 H ASN A 95 1.803 -8.718 12.970 1.00 0.00 H new ATOM 0 HA ASN A 95 2.497 -8.373 15.624 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.322 -10.325 15.224 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.179 -10.673 13.735 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.767 -13.271 15.530 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.600 -12.829 14.280 1.00 0.00 H new ATOM 1408 N GLY A 96 5.024 -9.697 13.935 1.00 0.00 N ATOM 1409 CA GLY A 96 6.471 -9.814 13.934 1.00 0.00 C ATOM 1410 C GLY A 96 7.131 -8.831 12.988 1.00 0.00 C ATOM 1411 O GLY A 96 7.572 -9.204 11.902 1.00 0.00 O ATOM 0 H GLY A 96 4.552 -10.210 13.190 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.846 -9.650 14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.750 -10.829 13.651 1.00 0.00 H new ATOM 1415 N SER A 97 7.198 -7.569 13.401 1.00 0.00 N ATOM 1416 CA SER A 97 7.805 -6.527 12.581 1.00 0.00 C ATOM 1417 C SER A 97 8.096 -5.282 13.412 1.00 0.00 C ATOM 1418 O SER A 97 7.331 -4.904 14.300 1.00 0.00 O ATOM 1419 CB SER A 97 6.886 -6.170 11.411 1.00 0.00 C ATOM 1420 OG SER A 97 7.628 -5.664 10.315 1.00 0.00 O ATOM 0 H SER A 97 6.839 -7.244 14.299 1.00 0.00 H new ATOM 0 HA SER A 97 8.748 -6.910 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.329 -7.053 11.100 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.155 -5.428 11.732 1.00 0.00 H new ATOM 0 HG SER A 97 7.444 -4.707 10.210 1.00 0.00 H new ATOM 1426 N PRO A 98 9.229 -4.627 13.119 1.00 0.00 N ATOM 1427 CA PRO A 98 9.649 -3.414 13.826 1.00 0.00 C ATOM 1428 C PRO A 98 8.759 -2.218 13.504 1.00 0.00 C ATOM 1429 O PRO A 98 8.309 -1.508 14.403 1.00 0.00 O ATOM 1430 CB PRO A 98 11.070 -3.177 13.312 1.00 0.00 C ATOM 1431 CG PRO A 98 11.104 -3.832 11.974 1.00 0.00 C ATOM 1432 CD PRO A 98 10.188 -5.021 12.073 1.00 0.00 C ATOM 0 HA PRO A 98 9.587 -3.531 14.908 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.291 -2.112 13.237 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.811 -3.610 13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.771 -3.146 11.195 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.117 -4.140 11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.689 -5.223 11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.732 -5.925 12.346 1.00 0.00 H new ATOM 1440 N GLU A 99 8.509 -2.002 12.216 1.00 0.00 N ATOM 1441 CA GLU A 99 7.673 -0.891 11.777 1.00 0.00 C ATOM 1442 C GLU A 99 6.608 -1.367 10.793 1.00 0.00 C ATOM 1443 O GLU A 99 6.808 -2.316 10.035 1.00 0.00 O ATOM 1444 CB GLU A 99 8.531 0.197 11.129 1.00 0.00 C ATOM 1445 CG GLU A 99 9.176 1.141 12.130 1.00 0.00 C ATOM 1446 CD GLU A 99 9.945 2.264 11.462 1.00 0.00 C ATOM 1447 OE1 GLU A 99 9.300 3.210 10.964 1.00 0.00 O ATOM 1448 OE2 GLU A 99 11.192 2.196 11.437 1.00 0.00 O ATOM 0 H GLU A 99 8.873 -2.581 11.459 1.00 0.00 H new ATOM 0 HA GLU A 99 7.175 -0.477 12.653 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.312 -0.275 10.532 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.912 0.776 10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.404 1.566 12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.851 0.576 12.773 1.00 0.00 H new ATOM 1455 N PRO A 100 5.448 -0.694 10.806 1.00 0.00 N ATOM 1456 CA PRO A 100 4.328 -1.030 9.921 1.00 0.00 C ATOM 1457 C PRO A 100 4.621 -0.694 8.463 1.00 0.00 C ATOM 1458 O PRO A 100 5.573 0.025 8.160 1.00 0.00 O ATOM 1459 CB PRO A 100 3.185 -0.161 10.451 1.00 0.00 C ATOM 1460 CG PRO A 100 3.860 0.991 11.113 1.00 0.00 C ATOM 1461 CD PRO A 100 5.141 0.448 11.684 1.00 0.00 C ATOM 0 HA PRO A 100 4.109 -2.098 9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.534 0.173 9.643 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.562 -0.713 11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.059 1.790 10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.232 1.414 11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.936 1.193 11.667 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.018 0.136 12.721 1.00 0.00 H new ATOM 1469 N VAL A 101 3.795 -1.218 7.563 1.00 0.00 N ATOM 1470 CA VAL A 101 3.964 -0.973 6.136 1.00 0.00 C ATOM 1471 C VAL A 101 3.341 0.358 5.730 1.00 0.00 C ATOM 1472 O VAL A 101 2.136 0.446 5.492 1.00 0.00 O ATOM 1473 CB VAL A 101 3.335 -2.099 5.294 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.321 -1.721 3.821 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.084 -3.406 5.510 1.00 0.00 C ATOM 0 H VAL A 101 3.002 -1.815 7.797 1.00 0.00 H new ATOM 0 HA VAL A 101 5.037 -0.943 5.945 1.00 0.00 H new ATOM 0 HB VAL A 101 2.304 -2.239 5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.873 -2.529 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.738 -0.810 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.342 -1.553 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.627 -4.191 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.126 -3.282 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.037 -3.683 6.563 1.00 0.00 H new ATOM 1485 N LYS A 102 4.170 1.394 5.651 1.00 0.00 N ATOM 1486 CA LYS A 102 3.703 2.722 5.271 1.00 0.00 C ATOM 1487 C LYS A 102 2.985 2.682 3.926 1.00 0.00 C ATOM 1488 O LYS A 102 3.455 2.051 2.978 1.00 0.00 O ATOM 1489 CB LYS A 102 4.879 3.699 5.205 1.00 0.00 C ATOM 1490 CG LYS A 102 4.498 5.074 4.685 1.00 0.00 C ATOM 1491 CD LYS A 102 3.987 5.971 5.801 1.00 0.00 C ATOM 1492 CE LYS A 102 5.126 6.707 6.489 1.00 0.00 C ATOM 1493 NZ LYS A 102 5.608 7.862 5.683 1.00 0.00 N ATOM 0 H LYS A 102 5.170 1.339 5.845 1.00 0.00 H new ATOM 0 HA LYS A 102 2.998 3.063 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.311 3.803 6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.654 3.279 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.364 5.538 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.731 4.974 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.279 6.693 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.445 5.371 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.793 7.059 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.951 6.017 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.606 8.050 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.516 7.641 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.039 8.703 5.907 1.00 0.00 H new ATOM 1507 N LEU A 103 1.846 3.361 3.849 1.00 0.00 N ATOM 1508 CA LEU A 103 1.063 3.404 2.618 1.00 0.00 C ATOM 1509 C LEU A 103 0.553 4.816 2.347 1.00 0.00 C ATOM 1510 O LEU A 103 -0.256 5.352 3.105 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.114 2.432 2.704 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.949 2.275 1.433 1.00 0.00 C ATOM 1513 CD1 LEU A 103 -0.073 1.836 0.270 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.079 1.280 1.657 1.00 0.00 C ATOM 0 H LEU A 103 1.444 3.889 4.623 1.00 0.00 H new ATOM 0 HA LEU A 103 1.711 3.107 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.270 1.452 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.772 2.760 3.509 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.387 3.242 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.684 1.729 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.701 2.584 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.394 0.880 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.663 1.181 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.662 0.310 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.723 1.636 2.462 1.00 0.00 H new ATOM 1526 N THR A 104 1.029 5.413 1.259 1.00 0.00 N ATOM 1527 CA THR A 104 0.621 6.762 0.887 1.00 0.00 C ATOM 1528 C THR A 104 -0.558 6.733 -0.079 1.00 0.00 C ATOM 1529 O THR A 104 -0.529 6.025 -1.087 1.00 0.00 O ATOM 1530 CB THR A 104 1.781 7.542 0.240 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.995 7.300 0.960 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.486 9.034 0.222 1.00 0.00 C ATOM 0 H THR A 104 1.698 4.983 0.620 1.00 0.00 H new ATOM 0 HA THR A 104 0.322 7.266 1.806 1.00 0.00 H new ATOM 0 HB THR A 104 1.893 7.197 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.728 7.798 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.319 9.564 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.577 9.218 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.350 9.390 1.243 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.593 7.505 0.233 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.780 7.568 -0.609 1.00 0.00 C ATOM 1542 C ILE A 105 -3.076 9.002 -1.036 1.00 0.00 C ATOM 1543 O ILE A 105 -3.385 9.856 -0.204 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.014 6.994 0.112 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.802 5.512 0.429 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.261 7.187 -0.737 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -5.022 4.840 1.020 1.00 0.00 C ATOM 0 H ILE A 105 -1.633 8.096 1.063 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.572 6.964 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.151 7.531 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.517 4.991 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.969 5.413 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.125 6.776 -0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.418 8.251 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -5.136 6.673 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.799 3.792 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.296 5.336 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.851 4.907 0.316 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.982 9.258 -2.336 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.241 10.589 -2.873 1.00 0.00 C ATOM 1561 C ARG A 106 -4.521 10.601 -3.704 1.00 0.00 C ATOM 1562 O ARG A 106 -4.817 9.646 -4.421 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.061 11.055 -3.729 1.00 0.00 C ATOM 1564 CG ARG A 106 -2.119 10.563 -5.166 1.00 0.00 C ATOM 1565 CD ARG A 106 -1.053 11.225 -6.024 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.467 12.546 -6.490 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.721 13.316 -7.274 1.00 0.00 C ATOM 1568 NH1 ARG A 106 0.471 12.899 -7.679 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -1.167 14.506 -7.656 1.00 0.00 N ATOM 0 H ARG A 106 -2.729 8.562 -3.037 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.366 11.274 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.030 12.145 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.133 10.710 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.985 9.481 -5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.104 10.770 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.131 11.316 -5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.833 10.590 -6.882 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.379 12.896 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.817 11.985 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.042 13.493 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.084 14.830 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.593 15.096 -8.258 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.277 11.689 -3.600 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.517 11.805 -4.346 1.00 0.00 C ATOM 1585 C GLY A 107 -7.014 13.235 -4.427 1.00 0.00 C ATOM 1586 O GLY A 107 -6.470 14.126 -3.773 1.00 0.00 O ATOM 0 H GLY A 107 -5.053 12.492 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.368 11.418 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.280 11.185 -3.875 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.047 13.455 -5.233 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.615 14.788 -5.399 1.00 0.00 C ATOM 1592 C CYS A 108 -10.130 14.717 -5.558 1.00 0.00 C ATOM 1593 O CYS A 108 -10.638 14.134 -6.516 1.00 0.00 O ATOM 1594 CB CYS A 108 -7.995 15.482 -6.613 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.264 15.955 -6.388 1.00 0.00 S ATOM 0 H CYS A 108 -8.508 12.728 -5.781 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.388 15.367 -4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.070 14.819 -7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.577 16.374 -6.845 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.824 15.470 -5.265 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.848 15.313 -4.611 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.306 15.317 -4.645 1.00 0.00 C ATOM 1603 C VAL A 109 -12.833 16.487 -5.468 1.00 0.00 C ATOM 1604 O VAL A 109 -12.288 17.590 -5.418 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.900 15.393 -3.226 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.399 15.139 -3.261 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.205 14.403 -2.304 1.00 0.00 C ATOM 0 H VAL A 109 -10.444 15.799 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.615 14.381 -5.110 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.734 16.397 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.802 15.197 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.881 15.890 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.591 14.148 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.637 14.470 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.338 13.392 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.141 14.636 -2.255 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.897 16.239 -6.225 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.499 17.272 -7.058 1.00 0.00 C ATOM 1619 C ILE A 110 -15.997 17.386 -6.796 1.00 0.00 C ATOM 1620 O ILE A 110 -16.570 16.590 -6.054 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.270 16.992 -8.555 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.672 15.556 -8.895 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.816 17.243 -8.925 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.565 14.550 -8.673 1.00 0.00 C ATOM 0 H ILE A 110 -14.360 15.331 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.015 18.212 -6.795 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.894 17.671 -9.136 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -15.534 15.275 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.988 15.513 -9.937 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.670 17.041 -9.986 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.561 18.282 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.173 16.586 -8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -13.921 13.554 -8.934 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.710 14.806 -9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.265 14.565 -7.625 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.626 18.381 -7.414 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.053 18.579 -7.237 1.00 0.00 C ATOM 1638 C GLY A 111 -18.690 19.290 -8.414 1.00 0.00 C ATOM 1639 O GLY A 111 -18.038 20.038 -9.142 1.00 0.00 O ATOM 0 H GLY A 111 -16.173 19.053 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.536 17.612 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.227 19.158 -6.330 1.00 0.00 H new ATOM 1643 N PRO A 112 -19.995 19.055 -8.616 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.749 19.668 -9.714 1.00 0.00 C ATOM 1645 C PRO A 112 -20.949 21.167 -9.514 1.00 0.00 C ATOM 1646 O PRO A 112 -21.576 21.834 -10.337 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.094 18.939 -9.671 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.230 18.478 -8.261 1.00 0.00 C ATOM 1649 CD PRO A 112 -20.836 18.174 -7.788 1.00 0.00 C ATOM 0 HA PRO A 112 -20.229 19.575 -10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.913 19.602 -9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.111 18.099 -10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.693 19.247 -7.642 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -22.865 17.594 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.717 18.387 -6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -20.582 17.124 -7.933 1.00 0.00 H new