USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 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 HE2:sc= -18.9! C(o=-19!,f=-20!) USER MOD Set 2.1: A 68 SER OG : rot 107:sc= -2.07 USER MOD Set 2.2: A 72 SER OG : rot -100:sc= -1.15! USER MOD Set 3.1: A 7 GLN : amide:sc= -0.0808 K(o=0.2,f=-2.1!) USER MOD Set 3.2: A 81 SER OG : rot 125:sc= 0.276 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 105:sc= -1.27! USER MOD Single : A 12 HIS : no HD1:sc= -5.22! C(o=-5.2!,f=-7.7!) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0.548 (180deg=0.54) USER MOD Single : A 17 HIS : no HD1:sc= -9.81! C(o=-9.8!,f=-9.9!) USER MOD Single : A 18 GLN : amide:sc= -1.56 K(o=-1.6,f=-8.3!) USER MOD Single : A 37 THR OG1 : rot 120:sc=-0.00596 USER MOD Single : A 38 THR OG1 : rot 178:sc= -3.83! USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -70:sc= 0.288 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.33! C(o=-1.3!,f=-6.5!) USER MOD Single : A 65 THR OG1 : rot -155:sc= -0.428 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Single : A 87 MET CE :methyl 144:sc= -8.44! (180deg=-9.96!) USER MOD Single : A 88 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.52) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc=-0.00124 (180deg=-0.0385) USER MOD Single : A 95 THR OG1 : rot -170:sc= -0.12! USER MOD Single : A 96 TYR OH : rot -3:sc= -1.08 USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.856) USER MOD Single : A 104 SER OG : rot -134:sc= -4.4! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 165:sc= 0.608 (180deg=0.444) USER MOD Single : A 119 THR OG1 : rot 112:sc= -1.27 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.230 6.951 3.721 1.00 0.00 N ATOM 93 CA GLN A 7 16.105 7.268 2.787 1.00 0.00 C ATOM 94 C GLN A 7 15.497 5.976 2.229 1.00 0.00 C ATOM 95 O GLN A 7 16.058 4.907 2.363 1.00 0.00 O ATOM 96 CB GLN A 7 16.739 8.089 1.662 1.00 0.00 C ATOM 97 CG GLN A 7 15.714 9.088 1.119 1.00 0.00 C ATOM 98 CD GLN A 7 16.366 9.959 0.042 1.00 0.00 C ATOM 99 OE1 GLN A 7 15.801 10.165 -1.014 1.00 0.00 O ATOM 100 NE2 GLN A 7 17.540 10.483 0.266 1.00 0.00 N ATOM 0 HA GLN A 7 15.300 7.810 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.617 8.618 2.034 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.079 7.430 0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.859 8.556 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.337 9.714 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.015 10.311 1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.983 11.065 -0.445 1.00 0.00 H new ATOM 109 N VAL A 8 14.350 6.059 1.608 1.00 0.00 N ATOM 110 CA VAL A 8 13.725 4.822 1.051 1.00 0.00 C ATOM 111 C VAL A 8 12.688 5.157 -0.030 1.00 0.00 C ATOM 112 O VAL A 8 11.598 5.610 0.261 1.00 0.00 O ATOM 113 CB VAL A 8 13.051 4.137 2.247 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.366 5.183 3.128 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.002 3.141 1.744 1.00 0.00 C ATOM 0 H VAL A 8 13.823 6.920 1.463 1.00 0.00 H new ATOM 0 HA VAL A 8 14.467 4.183 0.573 1.00 0.00 H new ATOM 0 HB VAL A 8 13.809 3.612 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.890 4.690 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.108 5.894 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.612 5.712 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.524 2.655 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.250 3.670 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.484 2.388 1.120 1.00 0.00 H new ATOM 125 N LYS A 9 13.007 4.905 -1.273 1.00 0.00 N ATOM 126 CA LYS A 9 12.026 5.174 -2.366 1.00 0.00 C ATOM 127 C LYS A 9 11.050 3.998 -2.454 1.00 0.00 C ATOM 128 O LYS A 9 11.309 2.938 -1.919 1.00 0.00 O ATOM 129 CB LYS A 9 12.849 5.263 -3.650 1.00 0.00 C ATOM 130 CG LYS A 9 13.704 6.527 -3.639 1.00 0.00 C ATOM 131 CD LYS A 9 13.727 7.135 -5.044 1.00 0.00 C ATOM 132 CE LYS A 9 14.443 8.486 -5.010 1.00 0.00 C ATOM 133 NZ LYS A 9 15.717 8.261 -5.745 1.00 0.00 N ATOM 0 H LYS A 9 13.903 4.525 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 9 11.454 6.086 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.487 4.384 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.187 5.270 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.301 7.246 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.718 6.291 -3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.235 6.461 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.709 7.261 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.844 9.263 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.629 8.809 -3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.266 9.144 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.268 7.521 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.508 7.961 -6.718 1.00 0.00 H new ATOM 147 N ALA A 10 9.937 4.153 -3.123 1.00 0.00 N ATOM 148 CA ALA A 10 8.984 2.999 -3.219 1.00 0.00 C ATOM 149 C ALA A 10 7.632 3.411 -3.806 1.00 0.00 C ATOM 150 O ALA A 10 7.259 4.567 -3.803 1.00 0.00 O ATOM 151 CB ALA A 10 8.782 2.526 -1.777 1.00 0.00 C ATOM 0 H ALA A 10 9.648 5.008 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 10 9.385 2.228 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.094 1.680 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.740 2.221 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.367 3.340 -1.182 1.00 0.00 H new ATOM 157 N SER A 11 6.883 2.445 -4.271 1.00 0.00 N ATOM 158 CA SER A 11 5.529 2.728 -4.823 1.00 0.00 C ATOM 159 C SER A 11 4.503 2.026 -3.934 1.00 0.00 C ATOM 160 O SER A 11 4.872 1.358 -2.988 1.00 0.00 O ATOM 161 CB SER A 11 5.527 2.138 -6.233 1.00 0.00 C ATOM 162 OG SER A 11 4.837 0.896 -6.220 1.00 0.00 O ATOM 0 H SER A 11 7.157 1.463 -4.291 1.00 0.00 H new ATOM 0 HA SER A 11 5.286 3.790 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.046 2.827 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.550 1.996 -6.582 1.00 0.00 H new ATOM 0 HG SER A 11 3.953 1.009 -6.628 1.00 0.00 H new ATOM 168 N HIS A 12 3.226 2.155 -4.191 1.00 0.00 N ATOM 169 CA HIS A 12 2.268 1.459 -3.279 1.00 0.00 C ATOM 170 C HIS A 12 0.819 1.488 -3.781 1.00 0.00 C ATOM 171 O HIS A 12 0.463 2.213 -4.688 1.00 0.00 O ATOM 172 CB HIS A 12 2.376 2.233 -1.965 1.00 0.00 C ATOM 173 CG HIS A 12 1.686 3.564 -2.108 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.039 4.181 -1.048 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.531 4.406 -3.182 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.529 5.341 -1.504 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.800 5.527 -2.799 1.00 0.00 N ATOM 0 H HIS A 12 2.817 2.688 -4.959 1.00 0.00 H new ATOM 0 HA HIS A 12 2.517 0.401 -3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.922 1.661 -1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.424 2.381 -1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.918 4.226 -4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.031 6.037 -0.897 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.530 6.320 -3.381 1.00 0.00 H new ATOM 185 N ILE A 13 -0.016 0.701 -3.148 1.00 0.00 N ATOM 186 CA ILE A 13 -1.464 0.645 -3.503 1.00 0.00 C ATOM 187 C ILE A 13 -2.269 0.431 -2.214 1.00 0.00 C ATOM 188 O ILE A 13 -1.707 0.219 -1.158 1.00 0.00 O ATOM 189 CB ILE A 13 -1.616 -0.552 -4.449 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.148 -0.144 -5.854 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.087 -0.981 -4.490 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.793 -1.045 -6.918 1.00 0.00 C ATOM 0 H ILE A 13 0.254 0.082 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.823 1.557 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.011 -1.387 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.410 0.897 -6.043 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.062 -0.216 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.199 -1.832 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.412 -1.264 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.698 -0.153 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.451 -0.742 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.509 -2.082 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.878 -0.951 -6.865 1.00 0.00 H new ATOM 204 N LEU A 14 -3.569 0.495 -2.277 1.00 0.00 N ATOM 205 CA LEU A 14 -4.373 0.304 -1.033 1.00 0.00 C ATOM 206 C LEU A 14 -5.674 -0.445 -1.344 1.00 0.00 C ATOM 207 O LEU A 14 -6.480 -0.004 -2.133 1.00 0.00 O ATOM 208 CB LEU A 14 -4.650 1.731 -0.543 1.00 0.00 C ATOM 209 CG LEU A 14 -5.829 1.746 0.434 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.328 1.551 1.856 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.552 3.084 0.327 1.00 0.00 C ATOM 0 H LEU A 14 -4.108 0.669 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.858 -0.294 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.762 2.133 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.867 2.378 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.514 0.936 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.173 1.563 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.812 0.594 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.639 2.356 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.393 3.100 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.862 3.891 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.919 3.219 -0.691 1.00 0.00 H new ATOM 223 N ILE A 15 -5.884 -1.574 -0.720 1.00 0.00 N ATOM 224 CA ILE A 15 -7.134 -2.350 -0.978 1.00 0.00 C ATOM 225 C ILE A 15 -8.223 -1.976 0.036 1.00 0.00 C ATOM 226 O ILE A 15 -9.309 -2.518 0.020 1.00 0.00 O ATOM 227 CB ILE A 15 -6.728 -3.816 -0.818 1.00 0.00 C ATOM 228 CG1 ILE A 15 -7.875 -4.717 -1.280 1.00 0.00 C ATOM 229 CG2 ILE A 15 -6.415 -4.108 0.651 1.00 0.00 C ATOM 230 CD1 ILE A 15 -7.388 -6.166 -1.363 1.00 0.00 C ATOM 0 H ILE A 15 -5.245 -1.992 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.547 -2.145 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.842 -4.011 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.712 -4.643 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.239 -4.389 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.126 -5.153 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.597 -3.469 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.299 -3.910 1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.206 -6.807 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.565 -6.233 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.045 -6.491 -0.381 1.00 0.00 H new ATOM 242 N LYS A 16 -7.938 -1.055 0.920 1.00 0.00 N ATOM 243 CA LYS A 16 -8.954 -0.645 1.937 1.00 0.00 C ATOM 244 C LYS A 16 -9.326 -1.837 2.822 1.00 0.00 C ATOM 245 O LYS A 16 -8.941 -2.958 2.556 1.00 0.00 O ATOM 246 CB LYS A 16 -10.165 -0.169 1.133 1.00 0.00 C ATOM 247 CG LYS A 16 -9.718 0.876 0.110 1.00 0.00 C ATOM 248 CD LYS A 16 -10.017 0.370 -1.302 1.00 0.00 C ATOM 249 CE LYS A 16 -11.436 0.780 -1.704 1.00 0.00 C ATOM 250 NZ LYS A 16 -11.462 0.657 -3.187 1.00 0.00 N ATOM 0 H LYS A 16 -7.044 -0.568 0.982 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.580 0.137 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.633 -1.013 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.914 0.257 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.236 1.818 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.652 1.073 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.295 0.782 -2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.917 -0.715 -1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.181 0.133 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.658 1.799 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.413 0.889 -3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.770 1.314 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.221 -0.317 -3.459 1.00 0.00 H new ATOM 264 N HIS A 17 -10.065 -1.603 3.876 1.00 0.00 N ATOM 265 CA HIS A 17 -10.450 -2.729 4.778 1.00 0.00 C ATOM 266 C HIS A 17 -11.352 -2.236 5.914 1.00 0.00 C ATOM 267 O HIS A 17 -12.130 -1.317 5.752 1.00 0.00 O ATOM 268 CB HIS A 17 -9.123 -3.240 5.336 1.00 0.00 C ATOM 269 CG HIS A 17 -8.576 -2.248 6.324 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.049 -0.947 6.407 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.602 -2.355 7.282 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.366 -0.330 7.388 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.471 -1.144 7.955 1.00 0.00 N ATOM 0 H HIS A 17 -10.417 -0.686 4.150 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.011 -3.502 4.254 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.268 -4.207 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -8.410 -3.392 4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.024 -3.244 7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.522 0.698 7.681 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.830 -0.925 8.717 1.00 0.00 H new ATOM 281 N GLN A 18 -11.251 -2.848 7.064 1.00 0.00 N ATOM 282 CA GLN A 18 -12.097 -2.427 8.218 1.00 0.00 C ATOM 283 C GLN A 18 -11.743 -1.003 8.648 1.00 0.00 C ATOM 284 O GLN A 18 -12.511 -0.080 8.468 1.00 0.00 O ATOM 285 CB GLN A 18 -11.763 -3.418 9.333 1.00 0.00 C ATOM 286 CG GLN A 18 -13.042 -3.799 10.080 1.00 0.00 C ATOM 287 CD GLN A 18 -13.276 -2.813 11.226 1.00 0.00 C ATOM 288 OE1 GLN A 18 -12.667 -1.763 11.274 1.00 0.00 O ATOM 289 NE2 GLN A 18 -14.140 -3.110 12.158 1.00 0.00 N ATOM 0 H GLN A 18 -10.617 -3.624 7.254 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.159 -2.428 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.296 -4.309 8.914 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.045 -2.976 10.023 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.892 -3.788 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.960 -4.814 10.470 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.651 -3.992 12.117 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.304 -2.460 12.927 1.00 0.00 H new ATOM 298 N GLY A 19 -10.587 -0.823 9.219 1.00 0.00 N ATOM 299 CA GLY A 19 -10.183 0.539 9.667 1.00 0.00 C ATOM 300 C GLY A 19 -11.285 1.128 10.551 1.00 0.00 C ATOM 301 O GLY A 19 -11.717 0.516 11.507 1.00 0.00 O ATOM 0 H GLY A 19 -9.903 -1.559 9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.245 0.489 10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.011 1.182 8.804 1.00 0.00 H new ATOM 594 N THR A 37 -12.799 -5.106 2.925 1.00 0.00 N ATOM 595 CA THR A 37 -11.673 -6.077 3.017 1.00 0.00 C ATOM 596 C THR A 37 -11.402 -6.414 4.490 1.00 0.00 C ATOM 597 O THR A 37 -10.703 -7.357 4.804 1.00 0.00 O ATOM 598 CB THR A 37 -10.483 -5.349 2.381 1.00 0.00 C ATOM 599 OG1 THR A 37 -10.518 -5.535 0.974 1.00 0.00 O ATOM 600 CG2 THR A 37 -9.172 -5.906 2.934 1.00 0.00 C ATOM 0 HA THR A 37 -11.878 -7.022 2.514 1.00 0.00 H new ATOM 0 HB THR A 37 -10.546 -4.286 2.616 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.589 -4.664 0.531 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.333 -5.383 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.143 -5.763 4.014 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.104 -6.970 2.706 1.00 0.00 H new ATOM 608 N THR A 38 -11.962 -5.647 5.388 1.00 0.00 N ATOM 609 CA THR A 38 -11.761 -5.898 6.850 1.00 0.00 C ATOM 610 C THR A 38 -10.279 -6.072 7.188 1.00 0.00 C ATOM 611 O THR A 38 -9.433 -6.165 6.324 1.00 0.00 O ATOM 612 CB THR A 38 -12.527 -7.183 7.166 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.933 -7.812 5.959 1.00 0.00 O ATOM 614 CG2 THR A 38 -13.759 -6.850 8.007 1.00 0.00 C ATOM 0 H THR A 38 -12.557 -4.848 5.170 1.00 0.00 H new ATOM 0 HA THR A 38 -12.119 -5.054 7.439 1.00 0.00 H new ATOM 0 HB THR A 38 -11.878 -7.859 7.722 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.394 -8.652 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 38 -14.305 -7.766 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.447 -6.376 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.405 -6.170 7.452 1.00 0.00 H new ATOM 622 N ARG A 39 -9.967 -6.117 8.453 1.00 0.00 N ATOM 623 CA ARG A 39 -8.536 -6.281 8.870 1.00 0.00 C ATOM 624 C ARG A 39 -8.046 -7.700 8.564 1.00 0.00 C ATOM 625 O ARG A 39 -7.439 -7.946 7.537 1.00 0.00 O ATOM 626 CB ARG A 39 -8.476 -5.994 10.383 1.00 0.00 C ATOM 627 CG ARG A 39 -9.767 -6.434 11.088 1.00 0.00 C ATOM 628 CD ARG A 39 -9.471 -6.724 12.562 1.00 0.00 C ATOM 629 NE ARG A 39 -9.995 -8.097 12.801 1.00 0.00 N ATOM 630 CZ ARG A 39 -9.735 -8.709 13.925 1.00 0.00 C ATOM 631 NH1 ARG A 39 -9.768 -8.051 15.052 1.00 0.00 N ATOM 632 NH2 ARG A 39 -9.445 -9.981 13.921 1.00 0.00 N ATOM 0 H ARG A 39 -10.636 -6.048 9.219 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.889 -5.596 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.625 -6.516 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.315 -4.928 10.547 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.523 -5.654 11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.172 -7.324 10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.402 -6.669 12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.958 -5.997 13.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.557 -8.560 12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.997 -7.057 15.056 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.565 -8.531 15.929 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.422 -10.496 13.041 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.242 -10.460 14.798 1.00 0.00 H new ATOM 646 N GLU A 40 -8.305 -8.635 9.435 1.00 0.00 N ATOM 647 CA GLU A 40 -7.863 -10.029 9.181 1.00 0.00 C ATOM 648 C GLU A 40 -8.142 -10.381 7.724 1.00 0.00 C ATOM 649 O GLU A 40 -7.296 -10.891 7.020 1.00 0.00 O ATOM 650 CB GLU A 40 -8.723 -10.866 10.118 1.00 0.00 C ATOM 651 CG GLU A 40 -8.203 -12.305 10.155 1.00 0.00 C ATOM 652 CD GLU A 40 -9.371 -13.268 10.377 1.00 0.00 C ATOM 653 OE1 GLU A 40 -10.080 -13.538 9.421 1.00 0.00 O ATOM 654 OE2 GLU A 40 -9.536 -13.720 11.498 1.00 0.00 O ATOM 0 H GLU A 40 -8.805 -8.491 10.312 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.799 -10.190 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.707 -10.438 11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.760 -10.853 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.695 -12.543 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.470 -12.417 10.954 1.00 0.00 H new ATOM 661 N ALA A 41 -9.324 -10.087 7.264 1.00 0.00 N ATOM 662 CA ALA A 41 -9.663 -10.380 5.844 1.00 0.00 C ATOM 663 C ALA A 41 -8.639 -9.711 4.926 1.00 0.00 C ATOM 664 O ALA A 41 -8.282 -10.236 3.890 1.00 0.00 O ATOM 665 CB ALA A 41 -11.054 -9.779 5.633 1.00 0.00 C ATOM 0 H ALA A 41 -10.071 -9.656 7.809 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.651 -11.447 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.374 -9.955 4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.760 -10.247 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.020 -8.706 5.824 1.00 0.00 H new ATOM 671 N ALA A 42 -8.154 -8.558 5.303 1.00 0.00 N ATOM 672 CA ALA A 42 -7.144 -7.864 4.454 1.00 0.00 C ATOM 673 C ALA A 42 -5.994 -8.815 4.153 1.00 0.00 C ATOM 674 O ALA A 42 -5.681 -9.087 3.013 1.00 0.00 O ATOM 675 CB ALA A 42 -6.654 -6.676 5.283 1.00 0.00 C ATOM 0 H ALA A 42 -8.413 -8.068 6.160 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.560 -7.537 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.907 -6.120 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.495 -6.022 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.211 -7.038 6.211 1.00 0.00 H new ATOM 681 N VAL A 43 -5.367 -9.332 5.167 1.00 0.00 N ATOM 682 CA VAL A 43 -4.243 -10.276 4.924 1.00 0.00 C ATOM 683 C VAL A 43 -4.694 -11.333 3.915 1.00 0.00 C ATOM 684 O VAL A 43 -3.944 -11.754 3.057 1.00 0.00 O ATOM 685 CB VAL A 43 -3.919 -10.885 6.299 1.00 0.00 C ATOM 686 CG1 VAL A 43 -4.661 -12.214 6.496 1.00 0.00 C ATOM 687 CG2 VAL A 43 -2.413 -11.132 6.402 1.00 0.00 C ATOM 0 H VAL A 43 -5.580 -9.145 6.147 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.357 -9.799 4.505 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.240 -10.186 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.416 -12.626 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.736 -12.044 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.359 -12.918 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.181 -11.564 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.103 -11.821 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.881 -10.188 6.287 1.00 0.00 H new ATOM 697 N GLU A 44 -5.927 -11.744 4.004 1.00 0.00 N ATOM 698 CA GLU A 44 -6.449 -12.752 3.044 1.00 0.00 C ATOM 699 C GLU A 44 -6.643 -12.088 1.682 1.00 0.00 C ATOM 700 O GLU A 44 -6.166 -12.562 0.667 1.00 0.00 O ATOM 701 CB GLU A 44 -7.790 -13.196 3.632 1.00 0.00 C ATOM 702 CG GLU A 44 -8.231 -14.506 2.977 1.00 0.00 C ATOM 703 CD GLU A 44 -9.657 -14.843 3.419 1.00 0.00 C ATOM 704 OE1 GLU A 44 -9.840 -15.132 4.591 1.00 0.00 O ATOM 705 OE2 GLU A 44 -10.540 -14.808 2.579 1.00 0.00 O ATOM 0 H GLU A 44 -6.597 -11.424 4.703 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.778 -13.599 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.699 -13.330 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.543 -12.425 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.187 -14.415 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.552 -15.312 3.257 1.00 0.00 H new ATOM 712 N GLN A 45 -7.325 -10.977 1.660 1.00 0.00 N ATOM 713 CA GLN A 45 -7.538 -10.259 0.374 1.00 0.00 C ATOM 714 C GLN A 45 -6.185 -9.871 -0.217 1.00 0.00 C ATOM 715 O GLN A 45 -5.994 -9.876 -1.417 1.00 0.00 O ATOM 716 CB GLN A 45 -8.347 -9.012 0.734 1.00 0.00 C ATOM 717 CG GLN A 45 -9.833 -9.279 0.489 1.00 0.00 C ATOM 718 CD GLN A 45 -10.199 -8.866 -0.939 1.00 0.00 C ATOM 719 OE1 GLN A 45 -9.488 -9.172 -1.875 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.289 -8.177 -1.145 1.00 0.00 N ATOM 0 H GLN A 45 -7.744 -10.535 2.478 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.058 -10.868 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.182 -8.747 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.015 -8.165 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.053 -10.336 0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.436 -8.722 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.886 -7.920 -0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.543 -7.896 -2.092 1.00 0.00 H new ATOM 729 N LEU A 46 -5.238 -9.552 0.622 1.00 0.00 N ATOM 730 CA LEU A 46 -3.891 -9.184 0.112 1.00 0.00 C ATOM 731 C LEU A 46 -3.140 -10.459 -0.266 1.00 0.00 C ATOM 732 O LEU A 46 -2.375 -10.491 -1.209 1.00 0.00 O ATOM 733 CB LEU A 46 -3.200 -8.466 1.272 1.00 0.00 C ATOM 734 CG LEU A 46 -2.029 -7.642 0.732 1.00 0.00 C ATOM 735 CD1 LEU A 46 -1.744 -6.474 1.678 1.00 0.00 C ATOM 736 CD2 LEU A 46 -0.786 -8.529 0.629 1.00 0.00 C ATOM 0 H LEU A 46 -5.340 -9.531 1.637 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.930 -8.549 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.909 -7.818 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.843 -9.192 2.003 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.284 -7.255 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.910 -5.888 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.628 -5.841 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.490 -6.859 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.049 -7.943 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.533 -8.917 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.987 -9.360 -0.047 1.00 0.00 H new ATOM 748 N LYS A 47 -3.370 -11.520 0.457 1.00 0.00 N ATOM 749 CA LYS A 47 -2.687 -12.799 0.131 1.00 0.00 C ATOM 750 C LYS A 47 -2.810 -13.062 -1.369 1.00 0.00 C ATOM 751 O LYS A 47 -1.890 -13.528 -2.012 1.00 0.00 O ATOM 752 CB LYS A 47 -3.437 -13.865 0.931 1.00 0.00 C ATOM 753 CG LYS A 47 -2.435 -14.835 1.558 1.00 0.00 C ATOM 754 CD LYS A 47 -3.086 -15.540 2.750 1.00 0.00 C ATOM 755 CE LYS A 47 -3.160 -14.575 3.937 1.00 0.00 C ATOM 756 NZ LYS A 47 -2.050 -14.989 4.839 1.00 0.00 N ATOM 0 H LYS A 47 -4.001 -11.555 1.258 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.625 -12.790 0.378 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.038 -13.394 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.124 -14.406 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.112 -15.569 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.545 -14.296 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.086 -15.881 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.510 -16.424 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.041 -13.541 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.124 -14.642 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.036 -14.373 5.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.194 -15.975 5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.144 -14.908 4.334 1.00 0.00 H new ATOM 770 N SER A 48 -3.946 -12.750 -1.929 1.00 0.00 N ATOM 771 CA SER A 48 -4.143 -12.962 -3.391 1.00 0.00 C ATOM 772 C SER A 48 -3.525 -11.802 -4.172 1.00 0.00 C ATOM 773 O SER A 48 -2.964 -11.988 -5.231 1.00 0.00 O ATOM 774 CB SER A 48 -5.659 -12.998 -3.590 1.00 0.00 C ATOM 775 OG SER A 48 -6.132 -11.680 -3.842 1.00 0.00 O ATOM 0 H SER A 48 -4.748 -12.357 -1.436 1.00 0.00 H new ATOM 0 HA SER A 48 -3.669 -13.877 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.912 -13.653 -4.423 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.144 -13.407 -2.704 1.00 0.00 H new ATOM 0 HG SER A 48 -6.064 -11.146 -3.023 1.00 0.00 H new ATOM 781 N ILE A 49 -3.614 -10.606 -3.656 1.00 0.00 N ATOM 782 CA ILE A 49 -3.019 -9.446 -4.378 1.00 0.00 C ATOM 783 C ILE A 49 -1.500 -9.616 -4.451 1.00 0.00 C ATOM 784 O ILE A 49 -0.910 -9.558 -5.512 1.00 0.00 O ATOM 785 CB ILE A 49 -3.440 -8.200 -3.573 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.709 -7.046 -4.539 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.347 -7.779 -2.583 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.413 -6.669 -5.257 1.00 0.00 C ATOM 0 H ILE A 49 -4.070 -10.383 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.363 -9.358 -5.408 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.339 -8.446 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.469 -7.335 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.099 -6.186 -3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.675 -6.898 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.155 -8.594 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.432 -7.546 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.605 -5.846 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.667 -6.362 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.042 -7.529 -5.814 1.00 0.00 H new ATOM 800 N ARG A 50 -0.864 -9.855 -3.340 1.00 0.00 N ATOM 801 CA ARG A 50 0.610 -10.061 -3.369 1.00 0.00 C ATOM 802 C ARG A 50 0.903 -11.305 -4.208 1.00 0.00 C ATOM 803 O ARG A 50 1.919 -11.406 -4.867 1.00 0.00 O ATOM 804 CB ARG A 50 1.021 -10.265 -1.911 1.00 0.00 C ATOM 805 CG ARG A 50 0.244 -11.440 -1.319 1.00 0.00 C ATOM 806 CD ARG A 50 1.135 -12.682 -1.311 1.00 0.00 C ATOM 807 NE ARG A 50 1.052 -13.201 0.080 1.00 0.00 N ATOM 808 CZ ARG A 50 1.022 -14.487 0.292 1.00 0.00 C ATOM 809 NH1 ARG A 50 0.029 -15.200 -0.165 1.00 0.00 N ATOM 810 NH2 ARG A 50 1.985 -15.060 0.958 1.00 0.00 N ATOM 0 H ARG A 50 -1.297 -9.916 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 50 1.157 -9.226 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.092 -10.456 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.824 -9.360 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.079 -11.203 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.656 -11.628 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.787 -13.423 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.162 -12.434 -1.580 1.00 0.00 H new ATOM 0 HE ARG A 50 1.019 -12.552 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.723 -14.751 -0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.005 -16.206 0.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.762 -14.502 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.962 -16.066 1.124 1.00 0.00 H new ATOM 824 N GLU A 51 -0.011 -12.237 -4.212 1.00 0.00 N ATOM 825 CA GLU A 51 0.165 -13.466 -5.033 1.00 0.00 C ATOM 826 C GLU A 51 -0.016 -13.082 -6.494 1.00 0.00 C ATOM 827 O GLU A 51 0.874 -13.212 -7.310 1.00 0.00 O ATOM 828 CB GLU A 51 -0.959 -14.395 -4.575 1.00 0.00 C ATOM 829 CG GLU A 51 -1.207 -15.482 -5.622 1.00 0.00 C ATOM 830 CD GLU A 51 0.130 -16.039 -6.118 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.622 -16.974 -5.509 1.00 0.00 O ATOM 832 OE2 GLU A 51 0.640 -15.520 -7.097 1.00 0.00 O ATOM 0 H GLU A 51 -0.879 -12.198 -3.677 1.00 0.00 H new ATOM 0 HA GLU A 51 1.141 -13.938 -4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.696 -14.852 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.871 -13.821 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.808 -16.283 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.773 -15.072 -6.458 1.00 0.00 H new ATOM 839 N ASP A 52 -1.157 -12.564 -6.822 1.00 0.00 N ATOM 840 CA ASP A 52 -1.376 -12.121 -8.222 1.00 0.00 C ATOM 841 C ASP A 52 -0.179 -11.261 -8.632 1.00 0.00 C ATOM 842 O ASP A 52 0.457 -11.496 -9.635 1.00 0.00 O ATOM 843 CB ASP A 52 -2.662 -11.291 -8.193 1.00 0.00 C ATOM 844 CG ASP A 52 -3.727 -11.971 -9.054 1.00 0.00 C ATOM 845 OD1 ASP A 52 -3.402 -12.365 -10.163 1.00 0.00 O ATOM 846 OD2 ASP A 52 -4.850 -12.088 -8.591 1.00 0.00 O ATOM 0 H ASP A 52 -1.945 -12.427 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.468 -12.944 -8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.018 -11.189 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.467 -10.285 -8.564 1.00 0.00 H new ATOM 851 N ILE A 53 0.151 -10.282 -7.831 1.00 0.00 N ATOM 852 CA ILE A 53 1.329 -9.422 -8.143 1.00 0.00 C ATOM 853 C ILE A 53 2.590 -10.292 -8.175 1.00 0.00 C ATOM 854 O ILE A 53 3.591 -9.942 -8.768 1.00 0.00 O ATOM 855 CB ILE A 53 1.393 -8.421 -6.986 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.124 -7.556 -6.986 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.631 -7.532 -7.138 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.232 -6.464 -8.053 1.00 0.00 C ATOM 0 H ILE A 53 -0.346 -10.041 -6.973 1.00 0.00 H new ATOM 0 HA ILE A 53 1.252 -8.921 -9.108 1.00 0.00 H new ATOM 0 HB ILE A 53 1.459 -8.962 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.750 -8.178 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.017 -7.104 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.672 -6.821 -6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.528 -8.152 -7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.575 -6.989 -8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.673 -5.856 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.095 -5.833 -7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.351 -6.924 -9.034 1.00 0.00 H new ATOM 870 N VAL A 54 2.533 -11.429 -7.535 1.00 0.00 N ATOM 871 CA VAL A 54 3.706 -12.350 -7.506 1.00 0.00 C ATOM 872 C VAL A 54 3.727 -13.220 -8.772 1.00 0.00 C ATOM 873 O VAL A 54 4.706 -13.264 -9.491 1.00 0.00 O ATOM 874 CB VAL A 54 3.489 -13.196 -6.236 1.00 0.00 C ATOM 875 CG1 VAL A 54 4.023 -14.617 -6.429 1.00 0.00 C ATOM 876 CG2 VAL A 54 4.216 -12.544 -5.061 1.00 0.00 C ATOM 0 H VAL A 54 1.715 -11.762 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 54 4.663 -11.829 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 54 2.419 -13.248 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.858 -15.194 -5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.501 -15.092 -7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.091 -14.578 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.063 -13.141 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.282 -12.484 -5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.822 -11.540 -4.901 1.00 0.00 H new ATOM 886 N SER A 55 2.656 -13.910 -9.047 1.00 0.00 N ATOM 887 CA SER A 55 2.614 -14.778 -10.264 1.00 0.00 C ATOM 888 C SER A 55 1.974 -14.025 -11.433 1.00 0.00 C ATOM 889 O SER A 55 2.434 -14.092 -12.556 1.00 0.00 O ATOM 890 CB SER A 55 1.757 -15.979 -9.867 1.00 0.00 C ATOM 891 OG SER A 55 2.304 -17.158 -10.444 1.00 0.00 O ATOM 0 H SER A 55 1.806 -13.913 -8.483 1.00 0.00 H new ATOM 0 HA SER A 55 3.610 -15.078 -10.589 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.723 -16.073 -8.782 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.731 -15.836 -10.207 1.00 0.00 H new ATOM 0 HG SER A 55 1.757 -17.931 -10.190 1.00 0.00 H new ATOM 897 N GLY A 56 0.925 -13.302 -11.172 1.00 0.00 N ATOM 898 CA GLY A 56 0.253 -12.529 -12.252 1.00 0.00 C ATOM 899 C GLY A 56 0.672 -11.067 -12.133 1.00 0.00 C ATOM 900 O GLY A 56 -0.095 -10.219 -11.725 1.00 0.00 O ATOM 0 H GLY A 56 0.500 -13.212 -10.249 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.530 -12.924 -13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.830 -12.621 -12.166 1.00 0.00 H new ATOM 904 N LYS A 57 1.896 -10.784 -12.465 1.00 0.00 N ATOM 905 CA LYS A 57 2.421 -9.389 -12.368 1.00 0.00 C ATOM 906 C LYS A 57 1.669 -8.453 -13.316 1.00 0.00 C ATOM 907 O LYS A 57 2.257 -7.792 -14.149 1.00 0.00 O ATOM 908 CB LYS A 57 3.888 -9.499 -12.783 1.00 0.00 C ATOM 909 CG LYS A 57 4.592 -8.160 -12.558 1.00 0.00 C ATOM 910 CD LYS A 57 6.031 -8.416 -12.106 1.00 0.00 C ATOM 911 CE LYS A 57 6.815 -7.101 -12.109 1.00 0.00 C ATOM 912 NZ LYS A 57 8.167 -7.462 -11.593 1.00 0.00 N ATOM 0 H LYS A 57 2.570 -11.469 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 57 2.299 -8.976 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.381 -10.281 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.958 -9.785 -13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.586 -7.574 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.060 -7.578 -11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.036 -8.851 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.508 -9.137 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.874 -6.678 -13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.337 -6.354 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.766 -6.612 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.079 -7.856 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.600 -8.170 -12.220 1.00 0.00 H new ATOM 926 N ALA A 58 0.377 -8.385 -13.189 1.00 0.00 N ATOM 927 CA ALA A 58 -0.418 -7.492 -14.068 1.00 0.00 C ATOM 928 C ALA A 58 0.088 -6.051 -13.950 1.00 0.00 C ATOM 929 O ALA A 58 1.198 -5.806 -13.518 1.00 0.00 O ATOM 930 CB ALA A 58 -1.841 -7.613 -13.531 1.00 0.00 C ATOM 0 H ALA A 58 -0.167 -8.915 -12.508 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.349 -7.760 -15.122 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.507 -6.984 -14.121 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.168 -8.651 -13.598 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.866 -7.291 -12.490 1.00 0.00 H new ATOM 936 N ASN A 59 -0.716 -5.097 -14.328 1.00 0.00 N ATOM 937 CA ASN A 59 -0.281 -3.675 -14.236 1.00 0.00 C ATOM 938 C ASN A 59 -0.106 -3.268 -12.769 1.00 0.00 C ATOM 939 O ASN A 59 0.160 -4.092 -11.916 1.00 0.00 O ATOM 940 CB ASN A 59 -1.411 -2.882 -14.889 1.00 0.00 C ATOM 941 CG ASN A 59 -1.687 -3.451 -16.283 1.00 0.00 C ATOM 942 OD1 ASN A 59 -1.168 -4.491 -16.640 1.00 0.00 O ATOM 943 ND2 ASN A 59 -2.487 -2.813 -17.093 1.00 0.00 N ATOM 0 H ASN A 59 -1.656 -5.240 -14.697 1.00 0.00 H new ATOM 0 HA ASN A 59 0.677 -3.498 -14.725 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.311 -2.937 -14.276 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.138 -1.829 -14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.676 -3.187 -18.023 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.924 -1.940 -16.796 1.00 0.00 H new ATOM 950 N PHE A 60 -0.251 -2.007 -12.466 1.00 0.00 N ATOM 951 CA PHE A 60 -0.088 -1.562 -11.051 1.00 0.00 C ATOM 952 C PHE A 60 -0.422 -0.073 -10.912 1.00 0.00 C ATOM 953 O PHE A 60 -0.948 0.363 -9.907 1.00 0.00 O ATOM 954 CB PHE A 60 1.385 -1.815 -10.729 1.00 0.00 C ATOM 955 CG PHE A 60 1.675 -1.395 -9.308 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.665 -0.038 -8.964 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.956 -2.362 -8.334 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.936 0.353 -7.649 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.226 -1.970 -7.017 1.00 0.00 C ATOM 960 CZ PHE A 60 2.217 -0.613 -6.675 1.00 0.00 C ATOM 0 H PHE A 60 -0.474 -1.268 -13.133 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.755 -2.095 -10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.620 -2.871 -10.861 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.019 -1.259 -11.419 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.448 0.707 -9.715 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.964 -3.409 -8.599 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.929 1.400 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.441 -2.715 -6.265 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.427 -0.311 -5.660 1.00 0.00 H new ATOM 970 N GLU A 61 -0.118 0.707 -11.911 1.00 0.00 N ATOM 971 CA GLU A 61 -0.414 2.168 -11.835 1.00 0.00 C ATOM 972 C GLU A 61 -1.924 2.409 -11.862 1.00 0.00 C ATOM 973 O GLU A 61 -2.550 2.590 -10.837 1.00 0.00 O ATOM 974 CB GLU A 61 0.242 2.769 -13.078 1.00 0.00 C ATOM 975 CG GLU A 61 1.763 2.719 -12.931 1.00 0.00 C ATOM 976 CD GLU A 61 2.410 3.529 -14.057 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.519 4.734 -13.905 1.00 0.00 O ATOM 978 OE2 GLU A 61 2.783 2.930 -15.052 1.00 0.00 O ATOM 0 H GLU A 61 0.323 0.398 -12.777 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.038 2.615 -10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.066 2.218 -13.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.087 3.800 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.059 3.121 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.109 1.686 -12.966 1.00 0.00 H new ATOM 985 N GLU A 62 -2.512 2.415 -13.029 1.00 0.00 N ATOM 986 CA GLU A 62 -3.982 2.645 -13.119 1.00 0.00 C ATOM 987 C GLU A 62 -4.694 1.849 -12.029 1.00 0.00 C ATOM 988 O GLU A 62 -5.675 2.291 -11.465 1.00 0.00 O ATOM 989 CB GLU A 62 -4.376 2.139 -14.509 1.00 0.00 C ATOM 990 CG GLU A 62 -5.900 2.017 -14.608 1.00 0.00 C ATOM 991 CD GLU A 62 -6.260 1.067 -15.752 1.00 0.00 C ATOM 992 OE1 GLU A 62 -5.775 -0.053 -15.739 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.015 1.474 -16.619 1.00 0.00 O ATOM 0 H GLU A 62 -2.039 2.271 -13.921 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.255 3.691 -12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.007 2.824 -15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.912 1.171 -14.698 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.308 1.644 -13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.344 2.997 -14.781 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.202 0.684 -11.717 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.849 -0.124 -10.652 1.00 0.00 C ATOM 1002 C VAL A 63 -4.775 0.633 -9.331 1.00 0.00 C ATOM 1003 O VAL A 63 -5.746 0.752 -8.620 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.041 -1.419 -10.576 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.810 -2.454 -9.755 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.810 -1.959 -11.988 1.00 0.00 C ATOM 0 H VAL A 63 -3.383 0.259 -12.152 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.900 -0.325 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.081 -1.220 -10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.233 -3.377 -9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.975 -2.070 -8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.771 -2.654 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.234 -2.883 -11.935 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.771 -2.158 -12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.261 -1.222 -12.574 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.626 1.150 -9.005 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.481 1.906 -7.728 1.00 0.00 C ATOM 1018 C ALA A 64 -4.415 3.117 -7.713 1.00 0.00 C ATOM 1019 O ALA A 64 -5.121 3.360 -6.755 1.00 0.00 O ATOM 1020 CB ALA A 64 -2.024 2.364 -7.704 1.00 0.00 C ATOM 0 H ALA A 64 -2.778 1.083 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.737 1.296 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.836 2.930 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.368 1.494 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.827 2.996 -8.570 1.00 0.00 H new ATOM 1026 N THR A 65 -4.414 3.885 -8.764 1.00 0.00 N ATOM 1027 CA THR A 65 -5.288 5.091 -8.811 1.00 0.00 C ATOM 1028 C THR A 65 -6.752 4.716 -8.544 1.00 0.00 C ATOM 1029 O THR A 65 -7.461 5.418 -7.850 1.00 0.00 O ATOM 1030 CB THR A 65 -5.128 5.643 -10.231 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.235 4.819 -10.968 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.572 7.066 -10.173 1.00 0.00 C ATOM 0 H THR A 65 -3.844 3.730 -9.596 1.00 0.00 H new ATOM 0 HA THR A 65 -5.011 5.821 -8.051 1.00 0.00 H new ATOM 0 HB THR A 65 -6.102 5.653 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.826 5.343 -11.688 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.460 7.454 -11.185 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.258 7.702 -9.614 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.601 7.057 -9.678 1.00 0.00 H new ATOM 1040 N ARG A 66 -7.219 3.631 -9.100 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.646 3.242 -8.883 1.00 0.00 C ATOM 1042 C ARG A 66 -8.795 2.233 -7.738 1.00 0.00 C ATOM 1043 O ARG A 66 -9.803 2.201 -7.060 1.00 0.00 O ATOM 1044 CB ARG A 66 -9.085 2.607 -10.202 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.611 2.663 -10.306 1.00 0.00 C ATOM 1046 CD ARG A 66 -11.168 1.247 -10.466 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.639 1.429 -10.604 1.00 0.00 N ATOM 1048 CZ ARG A 66 -13.359 0.504 -11.176 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -13.555 -0.636 -10.573 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -13.883 0.719 -12.352 1.00 0.00 N ATOM 0 H ARG A 66 -6.680 2.999 -9.692 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.251 4.105 -8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.632 3.134 -11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.743 1.573 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.029 3.130 -9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.905 3.278 -11.156 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.747 0.753 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.926 0.627 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.084 2.277 -10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.145 -0.804 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.118 -1.359 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.729 1.610 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.446 -0.004 -12.799 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.820 1.396 -7.529 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.936 0.379 -6.442 1.00 0.00 C ATOM 1066 C VAL A 67 -7.408 0.926 -5.110 1.00 0.00 C ATOM 1067 O VAL A 67 -6.686 0.255 -4.404 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.100 -0.819 -6.923 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.629 -0.656 -6.516 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.653 -2.101 -6.298 1.00 0.00 C ATOM 0 H VAL A 67 -6.949 1.369 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.974 0.101 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.159 -0.871 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.057 -1.515 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.227 0.254 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.557 -0.591 -5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.064 -2.954 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.598 -2.029 -5.212 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.692 -2.235 -6.601 1.00 0.00 H new ATOM 1080 N SER A 68 -7.768 2.127 -4.746 1.00 0.00 N ATOM 1081 CA SER A 68 -7.280 2.675 -3.452 1.00 0.00 C ATOM 1082 C SER A 68 -8.473 3.101 -2.595 1.00 0.00 C ATOM 1083 O SER A 68 -9.595 2.702 -2.835 1.00 0.00 O ATOM 1084 CB SER A 68 -6.427 3.884 -3.833 1.00 0.00 C ATOM 1085 OG SER A 68 -7.215 5.064 -3.740 1.00 0.00 O ATOM 0 H SER A 68 -8.374 2.746 -5.284 1.00 0.00 H new ATOM 0 HA SER A 68 -6.710 1.948 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.563 3.957 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.044 3.768 -4.847 1.00 0.00 H new ATOM 0 HG SER A 68 -6.943 5.578 -2.951 1.00 0.00 H new ATOM 1091 N ASP A 69 -8.249 3.935 -1.622 1.00 0.00 N ATOM 1092 CA ASP A 69 -9.379 4.414 -0.782 1.00 0.00 C ATOM 1093 C ASP A 69 -9.793 5.738 -1.363 1.00 0.00 C ATOM 1094 O ASP A 69 -10.956 6.023 -1.573 1.00 0.00 O ATOM 1095 CB ASP A 69 -8.835 4.614 0.639 1.00 0.00 C ATOM 1096 CG ASP A 69 -9.752 5.559 1.420 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -9.662 6.755 1.200 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -10.529 5.069 2.223 1.00 0.00 O ATOM 0 H ASP A 69 -7.333 4.306 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.221 3.723 -0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.767 3.654 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.826 5.024 0.597 1.00 0.00 H new ATOM 1103 N CYS A 70 -8.809 6.540 -1.648 1.00 0.00 N ATOM 1104 CA CYS A 70 -9.072 7.857 -2.244 1.00 0.00 C ATOM 1105 C CYS A 70 -7.753 8.592 -2.493 1.00 0.00 C ATOM 1106 O CYS A 70 -7.320 8.747 -3.619 1.00 0.00 O ATOM 1107 CB CYS A 70 -9.921 8.583 -1.205 1.00 0.00 C ATOM 1108 SG CYS A 70 -10.701 10.032 -1.957 1.00 0.00 S ATOM 0 H CYS A 70 -7.824 6.328 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.577 7.795 -3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.684 7.911 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.300 8.889 -0.363 1.00 0.00 H new ATOM 0 HG CYS A 70 -11.425 10.645 -1.068 1.00 0.00 H new ATOM 1114 N SER A 71 -7.103 9.032 -1.453 1.00 0.00 N ATOM 1115 CA SER A 71 -5.806 9.739 -1.635 1.00 0.00 C ATOM 1116 C SER A 71 -4.913 8.907 -2.545 1.00 0.00 C ATOM 1117 O SER A 71 -4.513 9.335 -3.610 1.00 0.00 O ATOM 1118 CB SER A 71 -5.204 9.832 -0.236 1.00 0.00 C ATOM 1119 OG SER A 71 -3.974 10.542 -0.298 1.00 0.00 O ATOM 0 H SER A 71 -7.413 8.933 -0.486 1.00 0.00 H new ATOM 0 HA SER A 71 -5.918 10.724 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.896 10.339 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.040 8.833 0.169 1.00 0.00 H new ATOM 0 HG SER A 71 -3.587 10.604 0.600 1.00 0.00 H new ATOM 1125 N SER A 72 -4.612 7.711 -2.135 1.00 0.00 N ATOM 1126 CA SER A 72 -3.759 6.836 -2.977 1.00 0.00 C ATOM 1127 C SER A 72 -4.299 6.835 -4.405 1.00 0.00 C ATOM 1128 O SER A 72 -3.555 6.729 -5.354 1.00 0.00 O ATOM 1129 CB SER A 72 -3.860 5.446 -2.351 1.00 0.00 C ATOM 1130 OG SER A 72 -5.093 5.335 -1.651 1.00 0.00 O ATOM 0 H SER A 72 -4.920 7.301 -1.253 1.00 0.00 H new ATOM 0 HA SER A 72 -2.722 7.170 -3.021 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.797 4.681 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.025 5.280 -1.670 1.00 0.00 H new ATOM 0 HG SER A 72 -4.938 5.468 -0.693 1.00 0.00 H new ATOM 1136 N ALA A 73 -5.585 6.988 -4.575 1.00 0.00 N ATOM 1137 CA ALA A 73 -6.126 7.031 -5.961 1.00 0.00 C ATOM 1138 C ALA A 73 -5.399 8.144 -6.708 1.00 0.00 C ATOM 1139 O ALA A 73 -5.107 8.042 -7.880 1.00 0.00 O ATOM 1140 CB ALA A 73 -7.614 7.348 -5.818 1.00 0.00 C ATOM 0 H ALA A 73 -6.273 7.083 -3.828 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.989 6.099 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.073 7.394 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.097 6.568 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.735 8.308 -5.317 1.00 0.00 H new ATOM 1146 N LYS A 74 -5.074 9.198 -6.010 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.326 10.319 -6.641 1.00 0.00 C ATOM 1148 C LYS A 74 -2.833 9.979 -6.623 1.00 0.00 C ATOM 1149 O LYS A 74 -2.042 10.521 -7.370 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.617 11.531 -5.754 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.295 12.817 -6.517 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.935 13.925 -5.524 1.00 0.00 C ATOM 1153 CE LYS A 74 -3.040 14.959 -6.209 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.678 16.271 -5.912 1.00 0.00 N ATOM 0 H LYS A 74 -5.297 9.330 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.613 10.506 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.664 11.529 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.021 11.478 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.466 12.647 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.152 13.119 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.842 14.403 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.422 13.501 -4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.021 14.918 -5.823 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.981 14.782 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.122 17.034 -6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.644 16.282 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.714 16.414 -4.883 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.457 9.070 -5.762 1.00 0.00 N ATOM 1169 CA ARG A 75 -1.030 8.651 -5.655 1.00 0.00 C ATOM 1170 C ARG A 75 -0.934 7.127 -5.780 1.00 0.00 C ATOM 1171 O ARG A 75 -0.295 6.468 -4.984 1.00 0.00 O ATOM 1172 CB ARG A 75 -0.604 9.092 -4.253 1.00 0.00 C ATOM 1173 CG ARG A 75 0.922 9.113 -4.167 1.00 0.00 C ATOM 1174 CD ARG A 75 1.373 10.261 -3.260 1.00 0.00 C ATOM 1175 NE ARG A 75 0.679 11.467 -3.787 1.00 0.00 N ATOM 1176 CZ ARG A 75 0.730 12.590 -3.124 1.00 0.00 C ATOM 1177 NH1 ARG A 75 1.836 12.947 -2.531 1.00 0.00 N ATOM 1178 NH2 ARG A 75 -0.325 13.354 -3.054 1.00 0.00 N ATOM 0 H ARG A 75 -3.089 8.593 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.402 9.085 -6.433 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.005 10.082 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.012 8.411 -3.506 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.287 8.163 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.350 9.233 -5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.102 10.073 -2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.456 10.385 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 75 0.164 11.416 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.660 12.349 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.876 13.825 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.189 13.074 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.286 14.232 -2.536 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.585 6.559 -6.758 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.555 5.077 -6.917 1.00 0.00 C ATOM 1194 C GLY A 76 -0.241 4.639 -7.564 1.00 0.00 C ATOM 1195 O GLY A 76 0.226 3.538 -7.351 1.00 0.00 O ATOM 0 H GLY A 76 -2.137 7.058 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.667 4.598 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.396 4.753 -7.530 1.00 0.00 H new ATOM 1199 N GLY A 77 0.362 5.482 -8.352 1.00 0.00 N ATOM 1200 CA GLY A 77 1.638 5.088 -9.001 1.00 0.00 C ATOM 1201 C GLY A 77 2.680 4.789 -7.925 1.00 0.00 C ATOM 1202 O GLY A 77 2.695 3.725 -7.326 1.00 0.00 O ATOM 0 H GLY A 77 0.028 6.420 -8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.484 4.210 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.990 5.888 -9.652 1.00 0.00 H new ATOM 1206 N ASP A 78 3.554 5.717 -7.671 1.00 0.00 N ATOM 1207 CA ASP A 78 4.593 5.475 -6.638 1.00 0.00 C ATOM 1208 C ASP A 78 4.872 6.743 -5.831 1.00 0.00 C ATOM 1209 O ASP A 78 4.599 7.845 -6.263 1.00 0.00 O ATOM 1210 CB ASP A 78 5.838 5.059 -7.422 1.00 0.00 C ATOM 1211 CG ASP A 78 6.254 6.194 -8.360 1.00 0.00 C ATOM 1212 OD1 ASP A 78 5.388 6.722 -9.039 1.00 0.00 O ATOM 1213 OD2 ASP A 78 7.430 6.515 -8.385 1.00 0.00 O ATOM 0 H ASP A 78 3.595 6.627 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 78 4.280 4.716 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.651 4.824 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.634 4.155 -7.996 1.00 0.00 H new ATOM 1218 N LEU A 79 5.435 6.588 -4.664 1.00 0.00 N ATOM 1219 CA LEU A 79 5.758 7.774 -3.824 1.00 0.00 C ATOM 1220 C LEU A 79 6.974 8.485 -4.412 1.00 0.00 C ATOM 1221 O LEU A 79 6.888 9.579 -4.934 1.00 0.00 O ATOM 1222 CB LEU A 79 6.104 7.204 -2.445 1.00 0.00 C ATOM 1223 CG LEU A 79 4.835 6.718 -1.742 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.259 5.517 -2.496 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.181 6.299 -0.310 1.00 0.00 C ATOM 0 H LEU A 79 5.686 5.688 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 79 4.938 8.490 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.809 6.379 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.594 7.967 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 79 4.098 7.521 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.355 5.172 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.017 5.811 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.994 4.712 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.280 5.952 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.916 5.495 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.593 7.152 0.229 1.00 0.00 H new ATOM 1237 N GLY A 80 8.107 7.853 -4.324 1.00 0.00 N ATOM 1238 CA GLY A 80 9.356 8.447 -4.862 1.00 0.00 C ATOM 1239 C GLY A 80 10.482 8.153 -3.885 1.00 0.00 C ATOM 1240 O GLY A 80 11.166 7.154 -3.988 1.00 0.00 O ATOM 0 H GLY A 80 8.221 6.935 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.584 8.028 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.239 9.523 -4.994 1.00 0.00 H new ATOM 1244 N SER A 81 10.666 9.012 -2.926 1.00 0.00 N ATOM 1245 CA SER A 81 11.741 8.794 -1.925 1.00 0.00 C ATOM 1246 C SER A 81 11.367 9.428 -0.587 1.00 0.00 C ATOM 1247 O SER A 81 10.746 10.472 -0.529 1.00 0.00 O ATOM 1248 CB SER A 81 12.968 9.468 -2.518 1.00 0.00 C ATOM 1249 OG SER A 81 13.056 10.803 -2.036 1.00 0.00 O ATOM 0 H SER A 81 10.115 9.860 -2.792 1.00 0.00 H new ATOM 0 HA SER A 81 11.911 7.736 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.867 8.913 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.907 9.466 -3.606 1.00 0.00 H new ATOM 0 HG SER A 81 13.930 10.942 -1.614 1.00 0.00 H new ATOM 1255 N PHE A 82 11.741 8.799 0.488 1.00 0.00 N ATOM 1256 CA PHE A 82 11.415 9.344 1.832 1.00 0.00 C ATOM 1257 C PHE A 82 12.179 8.546 2.890 1.00 0.00 C ATOM 1258 O PHE A 82 13.250 8.035 2.631 1.00 0.00 O ATOM 1259 CB PHE A 82 9.902 9.152 1.973 1.00 0.00 C ATOM 1260 CG PHE A 82 9.541 7.727 1.627 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.353 7.357 0.289 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.397 6.774 2.641 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.023 6.038 -0.034 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.065 5.453 2.318 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.878 5.085 0.980 1.00 0.00 C ATOM 0 H PHE A 82 12.263 7.923 0.494 1.00 0.00 H new ATOM 0 HA PHE A 82 11.693 10.391 1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.589 9.381 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.374 9.842 1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.463 8.092 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.542 7.057 3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.880 5.754 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.953 4.718 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.622 4.066 0.731 1.00 0.00 H new ATOM 1275 N GLY A 83 11.651 8.424 4.074 1.00 0.00 N ATOM 1276 CA GLY A 83 12.372 7.647 5.117 1.00 0.00 C ATOM 1277 C GLY A 83 12.008 8.180 6.503 1.00 0.00 C ATOM 1278 O GLY A 83 11.105 7.689 7.150 1.00 0.00 O ATOM 0 H GLY A 83 10.759 8.825 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.111 6.591 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.448 7.721 4.960 1.00 0.00 H new ATOM 1282 N ARG A 84 12.706 9.178 6.966 1.00 0.00 N ATOM 1283 CA ARG A 84 12.400 9.739 8.314 1.00 0.00 C ATOM 1284 C ARG A 84 11.482 10.959 8.188 1.00 0.00 C ATOM 1285 O ARG A 84 11.918 12.042 7.855 1.00 0.00 O ATOM 1286 CB ARG A 84 13.756 10.146 8.891 1.00 0.00 C ATOM 1287 CG ARG A 84 14.273 9.039 9.810 1.00 0.00 C ATOM 1288 CD ARG A 84 14.758 7.858 8.966 1.00 0.00 C ATOM 1289 NE ARG A 84 16.218 7.767 9.239 1.00 0.00 N ATOM 1290 CZ ARG A 84 16.646 7.670 10.468 1.00 0.00 C ATOM 1291 NH1 ARG A 84 15.925 7.048 11.361 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.793 8.196 10.803 1.00 0.00 N ATOM 0 H ARG A 84 13.475 9.630 6.471 1.00 0.00 H new ATOM 0 HA ARG A 84 11.884 9.020 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.467 10.325 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.661 11.079 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.088 9.416 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.482 8.715 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.246 6.937 9.244 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.564 8.023 7.906 1.00 0.00 H new ATOM 0 HE ARG A 84 16.884 7.780 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.029 6.639 11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.258 6.971 12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.354 8.683 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.128 8.120 11.764 1.00 0.00 H new ATOM 1306 N GLY A 85 10.214 10.795 8.458 1.00 0.00 N ATOM 1307 CA GLY A 85 9.278 11.951 8.359 1.00 0.00 C ATOM 1308 C GLY A 85 7.994 11.531 7.644 1.00 0.00 C ATOM 1309 O GLY A 85 6.901 11.837 8.080 1.00 0.00 O ATOM 0 H GLY A 85 9.788 9.913 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.042 12.324 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.754 12.768 7.817 1.00 0.00 H new ATOM 1313 N GLN A 86 8.112 10.842 6.546 1.00 0.00 N ATOM 1314 CA GLN A 86 6.890 10.415 5.802 1.00 0.00 C ATOM 1315 C GLN A 86 6.438 9.032 6.242 1.00 0.00 C ATOM 1316 O GLN A 86 7.072 8.377 7.044 1.00 0.00 O ATOM 1317 CB GLN A 86 7.309 10.324 4.338 1.00 0.00 C ATOM 1318 CG GLN A 86 7.301 11.700 3.679 1.00 0.00 C ATOM 1319 CD GLN A 86 6.019 12.452 4.045 1.00 0.00 C ATOM 1320 OE1 GLN A 86 4.990 11.846 4.269 1.00 0.00 O ATOM 1321 NE2 GLN A 86 6.037 13.755 4.114 1.00 0.00 N ATOM 0 H GLN A 86 8.998 10.555 6.130 1.00 0.00 H new ATOM 0 HA GLN A 86 6.074 11.116 5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.306 9.889 4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.632 9.657 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.171 12.271 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.373 11.594 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.901 14.264 3.926 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.187 14.265 4.356 1.00 0.00 H new ATOM 1330 N MET A 87 5.363 8.576 5.665 1.00 0.00 N ATOM 1331 CA MET A 87 4.859 7.215 5.973 1.00 0.00 C ATOM 1332 C MET A 87 5.069 6.869 7.451 1.00 0.00 C ATOM 1333 O MET A 87 5.239 5.721 7.808 1.00 0.00 O ATOM 1334 CB MET A 87 5.716 6.330 5.074 1.00 0.00 C ATOM 1335 CG MET A 87 4.855 5.757 3.948 1.00 0.00 C ATOM 1336 SD MET A 87 3.954 7.099 3.129 1.00 0.00 S ATOM 1337 CE MET A 87 5.389 7.995 2.483 1.00 0.00 C ATOM 0 H MET A 87 4.807 9.096 4.986 1.00 0.00 H new ATOM 0 HA MET A 87 3.789 7.100 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.541 6.908 4.657 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.157 5.521 5.656 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.483 5.234 3.227 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.153 5.026 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.147 8.414 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 87 5.654 8.800 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 87 6.231 7.310 2.385 1.00 0.00 H new ATOM 1347 N GLN A 88 5.058 7.858 8.306 1.00 0.00 N ATOM 1348 CA GLN A 88 5.260 7.602 9.762 1.00 0.00 C ATOM 1349 C GLN A 88 6.310 6.498 9.974 1.00 0.00 C ATOM 1350 O GLN A 88 7.319 6.462 9.299 1.00 0.00 O ATOM 1351 CB GLN A 88 3.882 7.192 10.288 1.00 0.00 C ATOM 1352 CG GLN A 88 3.595 7.932 11.597 1.00 0.00 C ATOM 1353 CD GLN A 88 3.397 6.916 12.723 1.00 0.00 C ATOM 1354 OE1 GLN A 88 2.639 5.977 12.584 1.00 0.00 O ATOM 1355 NE2 GLN A 88 4.052 7.063 13.842 1.00 0.00 N ATOM 0 H GLN A 88 4.917 8.837 8.056 1.00 0.00 H new ATOM 0 HA GLN A 88 5.639 8.476 10.293 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.115 7.426 9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.849 6.115 10.452 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.421 8.601 11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.704 8.551 11.490 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.689 7.851 13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.927 6.390 14.598 1.00 0.00 H new ATOM 1364 N LYS A 89 6.107 5.619 10.921 1.00 0.00 N ATOM 1365 CA LYS A 89 7.128 4.554 11.177 1.00 0.00 C ATOM 1366 C LYS A 89 6.710 3.135 10.704 1.00 0.00 C ATOM 1367 O LYS A 89 7.563 2.274 10.600 1.00 0.00 O ATOM 1368 CB LYS A 89 7.305 4.562 12.694 1.00 0.00 C ATOM 1369 CG LYS A 89 8.736 4.153 13.045 1.00 0.00 C ATOM 1370 CD LYS A 89 9.707 5.238 12.573 1.00 0.00 C ATOM 1371 CE LYS A 89 10.287 5.966 13.788 1.00 0.00 C ATOM 1372 NZ LYS A 89 9.343 7.087 14.058 1.00 0.00 N ATOM 0 H LYS A 89 5.286 5.590 11.525 1.00 0.00 H new ATOM 0 HA LYS A 89 8.036 4.768 10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.092 5.555 13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.596 3.876 13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.831 4.008 14.121 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.980 3.201 12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.510 4.792 11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.191 5.945 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.363 5.300 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.291 6.337 13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.728 7.691 14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.218 7.651 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.424 6.703 14.357 1.00 0.00 H new ATOM 1386 N PRO A 90 5.439 2.900 10.447 1.00 0.00 N ATOM 1387 CA PRO A 90 5.014 1.545 10.018 1.00 0.00 C ATOM 1388 C PRO A 90 5.378 1.290 8.552 1.00 0.00 C ATOM 1389 O PRO A 90 6.164 0.415 8.246 1.00 0.00 O ATOM 1390 CB PRO A 90 3.502 1.558 10.212 1.00 0.00 C ATOM 1391 CG PRO A 90 3.105 2.996 10.129 1.00 0.00 C ATOM 1392 CD PRO A 90 4.307 3.826 10.512 1.00 0.00 C ATOM 0 HA PRO A 90 5.504 0.753 10.585 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.002 0.967 9.444 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.226 1.129 11.175 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.774 3.244 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.269 3.201 10.798 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.442 4.664 9.829 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.196 4.245 11.512 1.00 0.00 H new ATOM 1400 N PHE A 91 4.812 2.034 7.640 1.00 0.00 N ATOM 1401 CA PHE A 91 5.137 1.805 6.202 1.00 0.00 C ATOM 1402 C PHE A 91 6.648 1.716 6.003 1.00 0.00 C ATOM 1403 O PHE A 91 7.159 0.744 5.486 1.00 0.00 O ATOM 1404 CB PHE A 91 4.577 3.014 5.441 1.00 0.00 C ATOM 1405 CG PHE A 91 4.976 2.914 3.979 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.318 3.067 3.605 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.009 2.651 3.000 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.692 2.958 2.268 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.390 2.548 1.653 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.731 2.701 1.291 1.00 0.00 C ATOM 0 H PHE A 91 4.145 2.783 7.825 1.00 0.00 H new ATOM 0 HA PHE A 91 4.706 0.870 5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.491 3.045 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.960 3.939 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.066 3.270 4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.973 2.528 3.281 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.729 3.073 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.646 2.350 0.896 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.023 2.620 0.254 1.00 0.00 H new ATOM 1420 N GLU A 92 7.365 2.737 6.379 1.00 0.00 N ATOM 1421 CA GLU A 92 8.841 2.715 6.175 1.00 0.00 C ATOM 1422 C GLU A 92 9.415 1.369 6.608 1.00 0.00 C ATOM 1423 O GLU A 92 10.051 0.684 5.833 1.00 0.00 O ATOM 1424 CB GLU A 92 9.403 3.864 7.021 1.00 0.00 C ATOM 1425 CG GLU A 92 8.802 3.838 8.427 1.00 0.00 C ATOM 1426 CD GLU A 92 9.839 3.285 9.406 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.793 2.678 8.947 1.00 0.00 O ATOM 1428 OE2 GLU A 92 9.665 3.480 10.596 1.00 0.00 O ATOM 0 H GLU A 92 6.996 3.582 6.816 1.00 0.00 H new ATOM 0 HA GLU A 92 9.108 2.842 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.488 3.782 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.182 4.818 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.501 4.842 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.905 3.219 8.441 1.00 0.00 H new ATOM 1435 N GLU A 93 9.182 0.970 7.825 1.00 0.00 N ATOM 1436 CA GLU A 93 9.709 -0.346 8.282 1.00 0.00 C ATOM 1437 C GLU A 93 9.346 -1.420 7.256 1.00 0.00 C ATOM 1438 O GLU A 93 9.984 -2.449 7.164 1.00 0.00 O ATOM 1439 CB GLU A 93 9.016 -0.607 9.621 1.00 0.00 C ATOM 1440 CG GLU A 93 9.102 -2.095 9.966 1.00 0.00 C ATOM 1441 CD GLU A 93 10.560 -2.477 10.226 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.266 -2.732 9.265 1.00 0.00 O ATOM 1443 OE2 GLU A 93 10.947 -2.508 11.383 1.00 0.00 O ATOM 0 H GLU A 93 8.652 1.494 8.521 1.00 0.00 H new ATOM 0 HA GLU A 93 10.794 -0.357 8.389 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.486 -0.014 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.973 -0.296 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.496 -2.310 10.846 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.699 -2.692 9.148 1.00 0.00 H new ATOM 1450 N ALA A 94 8.331 -1.177 6.476 1.00 0.00 N ATOM 1451 CA ALA A 94 7.930 -2.168 5.443 1.00 0.00 C ATOM 1452 C ALA A 94 8.935 -2.147 4.300 1.00 0.00 C ATOM 1453 O ALA A 94 9.586 -3.130 4.006 1.00 0.00 O ATOM 1454 CB ALA A 94 6.563 -1.689 4.952 1.00 0.00 C ATOM 0 H ALA A 94 7.761 -0.332 6.510 1.00 0.00 H new ATOM 0 HA ALA A 94 7.893 -3.186 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.194 -2.368 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.863 -1.670 5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.657 -0.686 4.535 1.00 0.00 H new ATOM 1460 N THR A 95 9.070 -1.025 3.662 1.00 0.00 N ATOM 1461 CA THR A 95 10.037 -0.923 2.541 1.00 0.00 C ATOM 1462 C THR A 95 11.457 -1.013 3.091 1.00 0.00 C ATOM 1463 O THR A 95 12.371 -1.445 2.416 1.00 0.00 O ATOM 1464 CB THR A 95 9.776 0.449 1.918 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.430 0.830 2.165 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.021 0.382 0.411 1.00 0.00 C ATOM 0 H THR A 95 8.551 -0.171 3.868 1.00 0.00 H new ATOM 0 HA THR A 95 9.924 -1.721 1.807 1.00 0.00 H new ATOM 0 HB THR A 95 10.449 1.184 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.212 1.623 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.835 1.360 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.054 0.089 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.349 -0.352 -0.035 1.00 0.00 H new ATOM 1474 N TYR A 96 11.647 -0.627 4.322 1.00 0.00 N ATOM 1475 CA TYR A 96 13.005 -0.715 4.918 1.00 0.00 C ATOM 1476 C TYR A 96 13.291 -2.170 5.276 1.00 0.00 C ATOM 1477 O TYR A 96 14.427 -2.584 5.402 1.00 0.00 O ATOM 1478 CB TYR A 96 12.946 0.143 6.180 1.00 0.00 C ATOM 1479 CG TYR A 96 13.435 1.536 5.864 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.786 1.752 5.568 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.538 2.610 5.863 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.240 3.043 5.271 1.00 0.00 C ATOM 1483 CE2 TYR A 96 12.991 3.901 5.565 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.342 4.118 5.270 1.00 0.00 C ATOM 1485 OH TYR A 96 14.788 5.390 4.975 1.00 0.00 O ATOM 0 H TYR A 96 10.923 -0.256 4.937 1.00 0.00 H new ATOM 0 HA TYR A 96 13.789 -0.374 4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.925 0.182 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.560 -0.301 6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.478 0.923 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.496 2.443 6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.282 3.210 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.298 4.729 5.563 1.00 0.00 H new ATOM 0 HH TYR A 96 15.758 5.373 4.838 1.00 0.00 H new ATOM 1495 N ALA A 97 12.255 -2.947 5.440 1.00 0.00 N ATOM 1496 CA ALA A 97 12.440 -4.380 5.791 1.00 0.00 C ATOM 1497 C ALA A 97 12.600 -5.222 4.523 1.00 0.00 C ATOM 1498 O ALA A 97 13.565 -5.944 4.366 1.00 0.00 O ATOM 1499 CB ALA A 97 11.157 -4.768 6.530 1.00 0.00 C ATOM 0 H ALA A 97 11.285 -2.647 5.345 1.00 0.00 H new ATOM 0 HA ALA A 97 13.332 -4.546 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.210 -5.816 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.046 -4.145 7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.300 -4.620 5.873 1.00 0.00 H new ATOM 1505 N LEU A 98 11.660 -5.145 3.619 1.00 0.00 N ATOM 1506 CA LEU A 98 11.764 -5.954 2.368 1.00 0.00 C ATOM 1507 C LEU A 98 12.336 -5.120 1.220 1.00 0.00 C ATOM 1508 O LEU A 98 12.255 -3.908 1.214 1.00 0.00 O ATOM 1509 CB LEU A 98 10.332 -6.385 2.047 1.00 0.00 C ATOM 1510 CG LEU A 98 10.345 -7.402 0.901 1.00 0.00 C ATOM 1511 CD1 LEU A 98 9.046 -8.209 0.918 1.00 0.00 C ATOM 1512 CD2 LEU A 98 10.459 -6.668 -0.436 1.00 0.00 C ATOM 0 H LEU A 98 10.828 -4.560 3.691 1.00 0.00 H new ATOM 0 HA LEU A 98 12.432 -6.805 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.867 -6.823 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.734 -5.517 1.769 1.00 0.00 H new ATOM 0 HG LEU A 98 11.196 -8.071 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.056 -8.932 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.957 -8.735 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.198 -7.536 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.468 -7.393 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.608 -5.998 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 98 11.382 -6.089 -0.456 1.00 0.00 H new ATOM 1524 N LYS A 99 12.883 -5.769 0.230 1.00 0.00 N ATOM 1525 CA LYS A 99 13.428 -5.027 -0.944 1.00 0.00 C ATOM 1526 C LYS A 99 12.403 -5.102 -2.084 1.00 0.00 C ATOM 1527 O LYS A 99 11.345 -4.510 -2.003 1.00 0.00 O ATOM 1528 CB LYS A 99 14.743 -5.728 -1.317 1.00 0.00 C ATOM 1529 CG LYS A 99 14.573 -7.247 -1.242 1.00 0.00 C ATOM 1530 CD LYS A 99 15.768 -7.932 -1.909 1.00 0.00 C ATOM 1531 CE LYS A 99 16.058 -9.258 -1.202 1.00 0.00 C ATOM 1532 NZ LYS A 99 14.764 -9.995 -1.219 1.00 0.00 N ATOM 0 H LYS A 99 12.977 -6.784 0.182 1.00 0.00 H new ATOM 0 HA LYS A 99 13.614 -3.973 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.045 -5.438 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.537 -5.410 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.494 -7.563 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.648 -7.544 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.557 -8.109 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.644 -7.284 -1.863 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.838 -9.818 -1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.405 -9.094 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.946 -11.017 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.185 -9.698 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.257 -9.785 -2.102 1.00 0.00 H new ATOM 1546 N VAL A 100 12.675 -5.838 -3.128 1.00 0.00 N ATOM 1547 CA VAL A 100 11.668 -5.943 -4.224 1.00 0.00 C ATOM 1548 C VAL A 100 11.594 -7.380 -4.742 1.00 0.00 C ATOM 1549 O VAL A 100 10.957 -7.660 -5.737 1.00 0.00 O ATOM 1550 CB VAL A 100 12.122 -4.991 -5.333 1.00 0.00 C ATOM 1551 CG1 VAL A 100 12.617 -3.679 -4.735 1.00 0.00 C ATOM 1552 CG2 VAL A 100 13.249 -5.623 -6.151 1.00 0.00 C ATOM 0 H VAL A 100 13.537 -6.364 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 100 10.672 -5.676 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 100 11.268 -4.796 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.937 -3.012 -5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.811 -3.209 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.458 -3.877 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.560 -4.933 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.096 -5.837 -5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 100 12.895 -6.550 -6.602 1.00 0.00 H new ATOM 1562 N GLY A 101 12.229 -8.296 -4.066 1.00 0.00 N ATOM 1563 CA GLY A 101 12.180 -9.716 -4.508 1.00 0.00 C ATOM 1564 C GLY A 101 10.917 -10.367 -3.943 1.00 0.00 C ATOM 1565 O GLY A 101 10.568 -11.478 -4.287 1.00 0.00 O ATOM 0 H GLY A 101 12.780 -8.122 -3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.178 -9.772 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.066 -10.249 -4.163 1.00 0.00 H new ATOM 1569 N ASP A 102 10.233 -9.678 -3.067 1.00 0.00 N ATOM 1570 CA ASP A 102 8.994 -10.246 -2.462 1.00 0.00 C ATOM 1571 C ASP A 102 7.829 -9.256 -2.577 1.00 0.00 C ATOM 1572 O ASP A 102 6.683 -9.613 -2.392 1.00 0.00 O ATOM 1573 CB ASP A 102 9.347 -10.459 -0.991 1.00 0.00 C ATOM 1574 CG ASP A 102 9.620 -11.942 -0.738 1.00 0.00 C ATOM 1575 OD1 ASP A 102 9.099 -12.756 -1.483 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.344 -12.239 0.198 1.00 0.00 O ATOM 0 H ASP A 102 10.481 -8.743 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 102 8.682 -11.164 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.224 -9.867 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.529 -10.116 -0.357 1.00 0.00 H new ATOM 1581 N ILE A 103 8.119 -8.015 -2.858 1.00 0.00 N ATOM 1582 CA ILE A 103 7.038 -6.990 -2.963 1.00 0.00 C ATOM 1583 C ILE A 103 6.410 -6.766 -1.588 1.00 0.00 C ATOM 1584 O ILE A 103 5.264 -7.093 -1.354 1.00 0.00 O ATOM 1585 CB ILE A 103 6.011 -7.563 -3.942 1.00 0.00 C ATOM 1586 CG1 ILE A 103 6.732 -8.122 -5.170 1.00 0.00 C ATOM 1587 CG2 ILE A 103 5.053 -6.455 -4.381 1.00 0.00 C ATOM 1588 CD1 ILE A 103 5.699 -8.620 -6.184 1.00 0.00 C ATOM 0 H ILE A 103 9.063 -7.664 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 103 7.415 -6.028 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 103 5.451 -8.360 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 103 7.357 -7.351 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.393 -8.938 -4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 103 4.321 -6.862 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.538 -6.052 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.616 -5.660 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.211 -9.019 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.092 -9.404 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.056 -7.793 -6.485 1.00 0.00 H new ATOM 1600 N SER A 104 7.161 -6.215 -0.674 1.00 0.00 N ATOM 1601 CA SER A 104 6.620 -5.972 0.693 1.00 0.00 C ATOM 1602 C SER A 104 5.968 -7.250 1.228 1.00 0.00 C ATOM 1603 O SER A 104 6.095 -8.311 0.651 1.00 0.00 O ATOM 1604 CB SER A 104 5.584 -4.861 0.520 1.00 0.00 C ATOM 1605 OG SER A 104 4.349 -5.273 1.092 1.00 0.00 O ATOM 0 H SER A 104 8.128 -5.922 -0.815 1.00 0.00 H new ATOM 0 HA SER A 104 7.395 -5.688 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.932 -3.946 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.450 -4.635 -0.538 1.00 0.00 H new ATOM 0 HG SER A 104 3.617 -5.068 0.473 1.00 0.00 H new ATOM 1611 N ASP A 105 5.273 -7.157 2.326 1.00 0.00 N ATOM 1612 CA ASP A 105 4.616 -8.368 2.893 1.00 0.00 C ATOM 1613 C ASP A 105 3.295 -7.985 3.565 1.00 0.00 C ATOM 1614 O ASP A 105 3.243 -7.723 4.750 1.00 0.00 O ATOM 1615 CB ASP A 105 5.608 -8.909 3.923 1.00 0.00 C ATOM 1616 CG ASP A 105 5.976 -7.799 4.909 1.00 0.00 C ATOM 1617 OD1 ASP A 105 5.446 -6.709 4.768 1.00 0.00 O ATOM 1618 OD2 ASP A 105 6.781 -8.058 5.789 1.00 0.00 O ATOM 0 H ASP A 105 5.131 -6.297 2.855 1.00 0.00 H new ATOM 0 HA ASP A 105 4.379 -9.108 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.171 -9.753 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.504 -9.277 3.423 1.00 0.00 H new ATOM 1623 N ILE A 106 2.226 -7.949 2.817 1.00 0.00 N ATOM 1624 CA ILE A 106 0.908 -7.582 3.416 1.00 0.00 C ATOM 1625 C ILE A 106 1.075 -6.347 4.305 1.00 0.00 C ATOM 1626 O ILE A 106 1.076 -6.435 5.517 1.00 0.00 O ATOM 1627 CB ILE A 106 0.478 -8.797 4.252 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.996 -10.091 3.610 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.049 -8.851 4.320 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.516 -11.293 4.422 1.00 0.00 C ATOM 0 H ILE A 106 2.207 -8.157 1.819 1.00 0.00 H new ATOM 0 HA ILE A 106 0.163 -7.341 2.658 1.00 0.00 H new ATOM 0 HB ILE A 106 0.894 -8.701 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.640 -10.167 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.085 -10.078 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.357 -9.712 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.425 -7.939 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.455 -8.940 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.885 -12.211 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.894 -11.218 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.574 -11.308 4.440 1.00 0.00 H new ATOM 1642 N VAL A 107 1.231 -5.196 3.708 1.00 0.00 N ATOM 1643 CA VAL A 107 1.416 -3.952 4.512 1.00 0.00 C ATOM 1644 C VAL A 107 0.066 -3.414 5.000 1.00 0.00 C ATOM 1645 O VAL A 107 -0.888 -3.327 4.253 1.00 0.00 O ATOM 1646 CB VAL A 107 2.076 -2.964 3.550 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.526 -1.722 4.321 1.00 0.00 C ATOM 1648 CG2 VAL A 107 3.295 -3.627 2.902 1.00 0.00 C ATOM 0 H VAL A 107 1.238 -5.063 2.697 1.00 0.00 H new ATOM 0 HA VAL A 107 2.018 -4.124 5.404 1.00 0.00 H new ATOM 0 HB VAL A 107 1.362 -2.674 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.996 -1.018 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.661 -1.250 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.241 -2.011 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.769 -2.926 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.007 -3.914 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.978 -4.514 2.353 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.014 -3.049 6.252 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.293 -2.510 6.805 1.00 0.00 C ATOM 1660 C ASP A 108 -1.010 -1.215 7.576 1.00 0.00 C ATOM 1661 O ASP A 108 -0.224 -1.199 8.503 1.00 0.00 O ATOM 1662 CB ASP A 108 -1.814 -3.591 7.761 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.554 -4.984 7.177 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -1.586 -5.114 5.966 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.328 -5.897 7.954 1.00 0.00 O ATOM 0 H ASP A 108 0.755 -3.101 6.920 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.018 -2.282 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.323 -3.497 8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.882 -3.453 7.930 1.00 0.00 H new ATOM 1670 N THR A 109 -1.630 -0.129 7.202 1.00 0.00 N ATOM 1671 CA THR A 109 -1.371 1.152 7.924 1.00 0.00 C ATOM 1672 C THR A 109 -2.669 1.940 8.126 1.00 0.00 C ATOM 1673 O THR A 109 -3.756 1.442 7.908 1.00 0.00 O ATOM 1674 CB THR A 109 -0.407 1.923 7.021 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.900 1.912 5.689 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.971 1.262 7.062 1.00 0.00 C ATOM 0 H THR A 109 -2.299 -0.071 6.435 1.00 0.00 H new ATOM 0 HA THR A 109 -0.959 0.982 8.919 1.00 0.00 H new ATOM 0 HB THR A 109 -0.324 2.952 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.285 2.407 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.658 1.812 6.418 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.348 1.269 8.085 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.891 0.233 6.712 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.555 3.170 8.554 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.768 4.007 8.790 1.00 0.00 C ATOM 1686 C ASP A 110 -4.788 3.833 7.661 1.00 0.00 C ATOM 1687 O ASP A 110 -5.836 3.248 7.852 1.00 0.00 O ATOM 1688 CB ASP A 110 -3.251 5.446 8.830 1.00 0.00 C ATOM 1689 CG ASP A 110 -2.524 5.685 10.154 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -2.589 4.816 11.008 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -1.915 6.733 10.292 1.00 0.00 O ATOM 0 H ASP A 110 -1.668 3.633 8.751 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.281 3.725 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.576 5.625 7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -4.080 6.146 8.726 1.00 0.00 H new ATOM 1696 N SER A 111 -4.499 4.343 6.492 1.00 0.00 N ATOM 1697 CA SER A 111 -5.463 4.209 5.358 1.00 0.00 C ATOM 1698 C SER A 111 -6.086 2.814 5.357 1.00 0.00 C ATOM 1699 O SER A 111 -7.252 2.641 5.063 1.00 0.00 O ATOM 1700 CB SER A 111 -4.629 4.422 4.095 1.00 0.00 C ATOM 1701 OG SER A 111 -4.295 5.798 3.977 1.00 0.00 O ATOM 0 H SER A 111 -3.639 4.846 6.273 1.00 0.00 H new ATOM 0 HA SER A 111 -6.282 4.925 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.722 3.819 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.187 4.095 3.218 1.00 0.00 H new ATOM 0 HG SER A 111 -3.759 5.936 3.169 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.316 1.820 5.691 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.858 0.435 5.719 1.00 0.00 C ATOM 1709 C GLY A 112 -4.765 -0.551 5.314 1.00 0.00 C ATOM 1710 O GLY A 112 -3.712 -0.608 5.918 1.00 0.00 O ATOM 0 H GLY A 112 -4.332 1.906 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.224 0.197 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.707 0.352 5.040 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.003 -1.328 4.296 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.971 -2.313 3.852 1.00 0.00 C ATOM 1716 C VAL A 113 -3.319 -1.823 2.558 1.00 0.00 C ATOM 1717 O VAL A 113 -3.963 -1.233 1.715 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.698 -3.654 3.619 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.049 -4.733 4.486 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -6.180 -3.552 3.992 1.00 0.00 C ATOM 0 H VAL A 113 -5.865 -1.326 3.751 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.186 -2.431 4.599 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.619 -3.907 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.558 -5.683 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.998 -4.834 4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.127 -4.452 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.666 -4.512 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.273 -3.285 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.657 -2.787 3.380 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.044 -2.050 2.396 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.361 -1.578 1.158 1.00 0.00 C ATOM 1732 C HIS A 114 -0.321 -2.597 0.677 1.00 0.00 C ATOM 1733 O HIS A 114 -0.090 -3.617 1.295 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.651 -0.287 1.567 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.633 0.719 2.086 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.880 1.912 1.428 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.403 0.748 3.220 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.763 2.606 2.166 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -3.116 1.941 3.271 1.00 0.00 N ATOM 0 H HIS A 114 -1.448 -2.539 3.064 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.072 -1.436 0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.094 -0.503 2.333 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.118 0.127 0.711 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -1.467 2.210 0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.449 -0.036 3.961 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.141 3.582 1.899 1.00 0.00 H new ATOM 1747 N ILE A 115 0.324 -2.294 -0.416 1.00 0.00 N ATOM 1748 CA ILE A 115 1.383 -3.191 -0.963 1.00 0.00 C ATOM 1749 C ILE A 115 2.444 -2.314 -1.626 1.00 0.00 C ATOM 1750 O ILE A 115 2.135 -1.481 -2.454 1.00 0.00 O ATOM 1751 CB ILE A 115 0.687 -4.078 -1.996 1.00 0.00 C ATOM 1752 CG1 ILE A 115 -0.262 -3.230 -2.844 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.108 -5.170 -1.279 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.860 -4.092 -3.959 1.00 0.00 C ATOM 0 H ILE A 115 0.159 -1.449 -0.963 1.00 0.00 H new ATOM 0 HA ILE A 115 1.866 -3.802 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 115 1.436 -4.538 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.057 -2.821 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.274 -2.383 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -0.604 -5.802 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 115 0.568 -5.777 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -0.856 -4.711 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.536 -3.487 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.059 -4.479 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.411 -4.924 -3.520 1.00 0.00 H new ATOM 1766 N ILE A 116 3.682 -2.455 -1.250 1.00 0.00 N ATOM 1767 CA ILE A 116 4.728 -1.578 -1.848 1.00 0.00 C ATOM 1768 C ILE A 116 5.657 -2.349 -2.788 1.00 0.00 C ATOM 1769 O ILE A 116 5.702 -3.563 -2.789 1.00 0.00 O ATOM 1770 CB ILE A 116 5.501 -1.042 -0.649 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.609 -0.066 0.117 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.761 -0.320 -1.131 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.560 -0.467 1.592 1.00 0.00 C ATOM 0 H ILE A 116 4.015 -3.131 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 116 4.289 -0.789 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 116 5.791 -1.866 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.994 0.949 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.604 -0.068 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.312 0.063 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.390 -1.017 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.479 0.509 -1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.924 0.230 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.155 -1.475 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.567 -0.442 2.009 1.00 0.00 H new ATOM 1785 N LYS A 117 6.399 -1.631 -3.589 1.00 0.00 N ATOM 1786 CA LYS A 117 7.341 -2.284 -4.545 1.00 0.00 C ATOM 1787 C LYS A 117 8.265 -1.230 -5.165 1.00 0.00 C ATOM 1788 O LYS A 117 7.814 -0.257 -5.735 1.00 0.00 O ATOM 1789 CB LYS A 117 6.454 -2.911 -5.622 1.00 0.00 C ATOM 1790 CG LYS A 117 5.361 -1.920 -6.026 1.00 0.00 C ATOM 1791 CD LYS A 117 5.317 -1.794 -7.552 1.00 0.00 C ATOM 1792 CE LYS A 117 5.156 -3.182 -8.176 1.00 0.00 C ATOM 1793 NZ LYS A 117 4.855 -2.922 -9.612 1.00 0.00 N ATOM 0 H LYS A 117 6.393 -0.612 -3.622 1.00 0.00 H new ATOM 0 HA LYS A 117 7.973 -3.027 -4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.055 -3.180 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.005 -3.831 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.395 -2.257 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 117 5.555 -0.946 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.489 -1.151 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 117 6.231 -1.325 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.064 -3.774 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.351 -3.740 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.981 -3.799 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.873 -2.593 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.501 -2.193 -9.976 1.00 0.00 H new ATOM 1807 N ARG A 118 9.553 -1.413 -5.058 1.00 0.00 N ATOM 1808 CA ARG A 118 10.493 -0.414 -5.643 1.00 0.00 C ATOM 1809 C ARG A 118 11.133 -0.970 -6.924 1.00 0.00 C ATOM 1810 O ARG A 118 10.518 -0.990 -7.972 1.00 0.00 O ATOM 1811 CB ARG A 118 11.547 -0.175 -4.558 1.00 0.00 C ATOM 1812 CG ARG A 118 12.631 0.765 -5.096 1.00 0.00 C ATOM 1813 CD ARG A 118 13.036 1.758 -4.005 1.00 0.00 C ATOM 1814 NE ARG A 118 13.423 0.915 -2.840 1.00 0.00 N ATOM 1815 CZ ARG A 118 14.402 0.057 -2.948 1.00 0.00 C ATOM 1816 NH1 ARG A 118 15.604 0.473 -3.241 1.00 0.00 N ATOM 1817 NH2 ARG A 118 14.178 -1.215 -2.761 1.00 0.00 N ATOM 0 H ARG A 118 9.994 -2.207 -4.593 1.00 0.00 H new ATOM 0 HA ARG A 118 9.991 0.512 -5.925 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.081 0.259 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.991 -1.122 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.499 0.189 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.261 1.301 -5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.866 2.385 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.212 2.425 -3.753 1.00 0.00 H new ATOM 0 HE ARG A 118 12.923 1.008 -1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.778 1.468 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.369 -0.196 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.239 -1.539 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.942 -1.885 -2.845 1.00 0.00 H new ATOM 1831 N THR A 119 12.358 -1.421 -6.854 1.00 0.00 N ATOM 1832 CA THR A 119 13.023 -1.969 -8.071 1.00 0.00 C ATOM 1833 C THR A 119 12.635 -3.431 -8.267 1.00 0.00 C ATOM 1834 O THR A 119 11.669 -3.893 -7.705 1.00 0.00 O ATOM 1835 CB THR A 119 14.522 -1.837 -7.797 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.748 -0.707 -6.962 1.00 0.00 O ATOM 1837 CG2 THR A 119 15.271 -1.662 -9.120 1.00 0.00 C ATOM 0 H THR A 119 12.926 -1.433 -6.007 1.00 0.00 H new ATOM 0 HA THR A 119 12.730 -1.441 -8.978 1.00 0.00 H new ATOM 0 HB THR A 119 14.885 -2.735 -7.298 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.055 -1.007 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 119 16.339 -1.568 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 119 15.094 -2.529 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.914 -0.764 -9.624 1.00 0.00 H new ATOM 1845 N ALA A 120 13.384 -4.157 -9.063 1.00 0.00 N ATOM 1846 CA ALA A 120 13.073 -5.604 -9.306 1.00 0.00 C ATOM 1847 C ALA A 120 13.725 -6.073 -10.609 1.00 0.00 C ATOM 1848 O ALA A 120 13.872 -7.273 -10.775 1.00 0.00 O ATOM 1849 CB ALA A 120 11.549 -5.699 -9.416 1.00 0.00 C ATOM 1850 OXT ALA A 120 14.064 -5.226 -11.417 1.00 0.00 O ATOM 0 H ALA A 120 14.204 -3.807 -9.559 1.00 0.00 H new ATOM 0 HA ALA A 120 13.455 -6.234 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.261 -6.735 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.095 -5.350 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.205 -5.079 -10.244 1.00 0.00 H new