USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 69 THR OG1 : rot 113:sc= -0.114 USER MOD Set 1.2: A 72 ASN : amide:sc= -0.298 K(o=-0.41,f=-2.1!) USER MOD Single : A 9 SER OG : rot 40:sc= 0.94 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00561 USER MOD Single : A 18 THR OG1 : rot 46:sc= 1.08 USER MOD Single : A 19 SER OG : rot 174:sc= -1.29 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= -6.11! (180deg=-9.01!) USER MOD Single : A 29 SER OG : rot 39:sc= 0.495 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.859 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00066 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 54 SER OG : rot 101:sc= 1.05 USER MOD Single : A 58 THR OG1 : rot 82:sc= -0.61! USER MOD Single : A 59 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -11.9! C(o=-12!,f=-14!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.733 -15.133 3.207 1.00 0.00 N ATOM 93 CA SER A 9 -11.691 -14.464 3.967 1.00 0.00 C ATOM 94 C SER A 9 -10.813 -13.632 3.030 1.00 0.00 C ATOM 95 O SER A 9 -9.922 -14.167 2.371 1.00 0.00 O ATOM 96 CB SER A 9 -10.838 -15.472 4.739 1.00 0.00 C ATOM 97 OG SER A 9 -10.154 -16.370 3.869 1.00 0.00 O ATOM 0 HA SER A 9 -12.167 -13.803 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.112 -14.938 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.474 -16.039 5.419 1.00 0.00 H new ATOM 0 HG SER A 9 -9.829 -15.881 3.084 1.00 0.00 H new ATOM 103 N LYS A 10 -11.093 -12.338 3.001 1.00 0.00 N ATOM 104 CA LYS A 10 -10.339 -11.428 2.156 1.00 0.00 C ATOM 105 C LYS A 10 -9.932 -10.199 2.972 1.00 0.00 C ATOM 106 O LYS A 10 -10.539 -9.905 4.001 1.00 0.00 O ATOM 107 CB LYS A 10 -11.132 -11.090 0.891 1.00 0.00 C ATOM 108 CG LYS A 10 -10.835 -12.093 -0.226 1.00 0.00 C ATOM 109 CD LYS A 10 -10.815 -11.403 -1.591 1.00 0.00 C ATOM 110 CE LYS A 10 -12.120 -11.650 -2.350 1.00 0.00 C ATOM 111 NZ LYS A 10 -13.160 -10.690 -1.918 1.00 0.00 N ATOM 0 H LYS A 10 -11.832 -11.898 3.549 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.420 -11.902 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.199 -11.094 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.880 -10.083 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.873 -12.573 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.589 -12.880 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.665 -10.332 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.974 -11.773 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.948 -11.552 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.462 -12.670 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.039 -10.871 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.335 -10.803 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.837 -9.720 -2.108 1.00 0.00 H new ATOM 125 N VAL A 11 -8.908 -9.516 2.483 1.00 0.00 N ATOM 126 CA VAL A 11 -8.413 -8.327 3.154 1.00 0.00 C ATOM 127 C VAL A 11 -8.524 -7.129 2.209 1.00 0.00 C ATOM 128 O VAL A 11 -8.401 -7.278 0.994 1.00 0.00 O ATOM 129 CB VAL A 11 -6.986 -8.563 3.653 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.943 -9.708 4.668 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.034 -8.829 2.486 1.00 0.00 C ATOM 0 H VAL A 11 -8.407 -9.764 1.630 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.019 -8.106 4.033 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.653 -7.656 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.918 -9.855 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.575 -9.462 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.305 -10.623 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.027 -8.993 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.364 -9.714 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.032 -7.970 1.815 1.00 0.00 H new ATOM 141 N SER A 12 -8.757 -5.967 2.802 1.00 0.00 N ATOM 142 CA SER A 12 -8.887 -4.744 2.028 1.00 0.00 C ATOM 143 C SER A 12 -7.818 -3.737 2.457 1.00 0.00 C ATOM 144 O SER A 12 -7.601 -3.527 3.650 1.00 0.00 O ATOM 145 CB SER A 12 -10.282 -4.138 2.186 1.00 0.00 C ATOM 146 OG SER A 12 -10.744 -4.206 3.533 1.00 0.00 O ATOM 0 H SER A 12 -8.859 -5.847 3.810 1.00 0.00 H new ATOM 0 HA SER A 12 -8.744 -4.989 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.264 -3.098 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.981 -4.663 1.536 1.00 0.00 H new ATOM 0 HG SER A 12 -11.637 -3.807 3.593 1.00 0.00 H new ATOM 152 N PHE A 13 -7.179 -3.140 1.462 1.00 0.00 N ATOM 153 CA PHE A 13 -6.138 -2.160 1.722 1.00 0.00 C ATOM 154 C PHE A 13 -6.586 -0.760 1.299 1.00 0.00 C ATOM 155 O PHE A 13 -6.727 -0.483 0.109 1.00 0.00 O ATOM 156 CB PHE A 13 -4.922 -2.568 0.888 1.00 0.00 C ATOM 157 CG PHE A 13 -4.645 -4.072 0.885 1.00 0.00 C ATOM 158 CD1 PHE A 13 -3.915 -4.631 1.888 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.128 -4.851 -0.120 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.658 -6.028 1.885 1.00 0.00 C ATOM 161 CE2 PHE A 13 -4.871 -6.247 -0.122 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.142 -6.806 0.880 1.00 0.00 C ATOM 0 H PHE A 13 -7.362 -3.316 0.474 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.910 -2.133 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.070 -2.234 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.043 -2.048 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.531 -4.013 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.707 -4.407 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.078 -6.472 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.255 -6.865 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.947 -7.868 0.878 1.00 0.00 H new ATOM 172 N LYS A 14 -6.797 0.086 2.297 1.00 0.00 N ATOM 173 CA LYS A 14 -7.226 1.451 2.043 1.00 0.00 C ATOM 174 C LYS A 14 -6.002 2.369 2.018 1.00 0.00 C ATOM 175 O LYS A 14 -5.502 2.770 3.068 1.00 0.00 O ATOM 176 CB LYS A 14 -8.292 1.874 3.055 1.00 0.00 C ATOM 177 CG LYS A 14 -9.194 2.966 2.476 1.00 0.00 C ATOM 178 CD LYS A 14 -10.400 3.219 3.383 1.00 0.00 C ATOM 179 CE LYS A 14 -11.682 2.667 2.758 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.873 3.225 3.438 1.00 0.00 N ATOM 0 H LYS A 14 -6.679 -0.148 3.283 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.701 1.526 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.895 1.010 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.812 2.237 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.624 3.888 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.536 2.672 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.234 2.751 4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.509 4.289 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.712 2.915 1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.690 1.580 2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.735 2.840 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.850 2.967 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.872 4.261 3.346 1.00 0.00 H new ATOM 194 N ILE A 15 -5.556 2.675 0.809 1.00 0.00 N ATOM 195 CA ILE A 15 -4.401 3.539 0.634 1.00 0.00 C ATOM 196 C ILE A 15 -4.848 4.861 0.007 1.00 0.00 C ATOM 197 O ILE A 15 -5.873 4.915 -0.671 1.00 0.00 O ATOM 198 CB ILE A 15 -3.309 2.819 -0.161 1.00 0.00 C ATOM 199 CG1 ILE A 15 -2.995 1.453 0.452 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.058 3.691 -0.288 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.970 0.363 -0.622 1.00 0.00 C ATOM 0 H ILE A 15 -5.974 2.340 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.955 3.779 1.599 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.682 2.641 -1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.031 1.491 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.743 1.208 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.298 3.156 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.311 4.618 -0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.673 3.921 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.745 -0.598 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.943 0.311 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.205 0.598 -1.362 1.00 0.00 H new ATOM 213 N THR A 16 -4.056 5.894 0.255 1.00 0.00 N ATOM 214 CA THR A 16 -4.357 7.212 -0.277 1.00 0.00 C ATOM 215 C THR A 16 -3.091 7.865 -0.833 1.00 0.00 C ATOM 216 O THR A 16 -2.134 8.099 -0.096 1.00 0.00 O ATOM 217 CB THR A 16 -5.026 8.028 0.831 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.281 7.382 1.029 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.401 9.439 0.374 1.00 0.00 C ATOM 0 H THR A 16 -3.206 5.845 0.817 1.00 0.00 H new ATOM 0 HA THR A 16 -5.048 7.151 -1.117 1.00 0.00 H new ATOM 0 HB THR A 16 -4.357 8.090 1.690 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.780 7.846 1.733 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.872 9.975 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.502 9.971 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.096 9.378 -0.463 1.00 0.00 H new ATOM 227 N LEU A 17 -3.125 8.141 -2.128 1.00 0.00 N ATOM 228 CA LEU A 17 -1.991 8.763 -2.791 1.00 0.00 C ATOM 229 C LEU A 17 -1.618 10.051 -2.054 1.00 0.00 C ATOM 230 O LEU A 17 -2.483 10.722 -1.492 1.00 0.00 O ATOM 231 CB LEU A 17 -2.287 8.969 -4.278 1.00 0.00 C ATOM 232 CG LEU A 17 -1.508 10.091 -4.968 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.045 9.693 -5.179 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.184 10.504 -6.277 1.00 0.00 C ATOM 0 H LEU A 17 -3.920 7.945 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.120 8.109 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.081 8.035 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.352 9.170 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.514 10.963 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.486 10.508 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.419 9.488 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.003 8.800 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.610 11.303 -6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.230 9.647 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.194 10.857 -6.069 1.00 0.00 H new ATOM 246 N THR A 18 -0.330 10.358 -2.080 1.00 0.00 N ATOM 247 CA THR A 18 0.168 11.554 -1.421 1.00 0.00 C ATOM 248 C THR A 18 0.914 12.441 -2.420 1.00 0.00 C ATOM 249 O THR A 18 2.123 12.301 -2.598 1.00 0.00 O ATOM 250 CB THR A 18 1.030 11.116 -0.236 1.00 0.00 C ATOM 251 OG1 THR A 18 2.073 10.347 -0.830 1.00 0.00 O ATOM 252 CG2 THR A 18 0.309 10.123 0.678 1.00 0.00 C ATOM 0 H THR A 18 0.384 9.800 -2.547 1.00 0.00 H new ATOM 0 HA THR A 18 -0.650 12.165 -1.039 1.00 0.00 H new ATOM 0 HB THR A 18 1.325 11.992 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.423 10.821 -1.613 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.965 9.845 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.596 10.584 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.043 9.232 0.109 1.00 0.00 H new ATOM 260 N SER A 19 0.162 13.335 -3.045 1.00 0.00 N ATOM 261 CA SER A 19 0.736 14.246 -4.021 1.00 0.00 C ATOM 262 C SER A 19 -0.277 15.334 -4.382 1.00 0.00 C ATOM 263 O SER A 19 -0.006 16.521 -4.210 1.00 0.00 O ATOM 264 CB SER A 19 1.181 13.496 -5.278 1.00 0.00 C ATOM 265 OG SER A 19 0.133 12.699 -5.823 1.00 0.00 O ATOM 0 H SER A 19 -0.840 13.448 -2.894 1.00 0.00 H new ATOM 0 HA SER A 19 1.616 14.712 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.519 14.212 -6.027 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.033 12.860 -5.038 1.00 0.00 H new ATOM 0 HG SER A 19 0.425 12.314 -6.676 1.00 0.00 H new ATOM 271 N ASP A 20 -1.424 14.889 -4.874 1.00 0.00 N ATOM 272 CA ASP A 20 -2.480 15.810 -5.261 1.00 0.00 C ATOM 273 C ASP A 20 -3.096 16.428 -4.004 1.00 0.00 C ATOM 274 O ASP A 20 -2.840 15.970 -2.892 1.00 0.00 O ATOM 275 CB ASP A 20 -3.590 15.086 -6.025 1.00 0.00 C ATOM 276 CG ASP A 20 -3.597 15.326 -7.536 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.759 14.695 -8.215 1.00 0.00 O ATOM 278 OD2 ASP A 20 -4.441 16.136 -7.978 1.00 0.00 O ATOM 0 H ASP A 20 -1.645 13.903 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.042 16.576 -5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.497 14.015 -5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.553 15.396 -5.618 1.00 0.00 H new ATOM 283 N PRO A 21 -3.920 17.487 -4.230 1.00 0.00 N ATOM 284 CA PRO A 21 -4.575 18.173 -3.129 1.00 0.00 C ATOM 285 C PRO A 21 -5.737 17.343 -2.580 1.00 0.00 C ATOM 286 O PRO A 21 -5.987 17.339 -1.375 1.00 0.00 O ATOM 287 CB PRO A 21 -5.019 19.508 -3.705 1.00 0.00 C ATOM 288 CG PRO A 21 -5.011 19.332 -5.215 1.00 0.00 C ATOM 289 CD PRO A 21 -4.247 18.058 -5.533 1.00 0.00 C ATOM 0 HA PRO A 21 -3.915 18.323 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.013 19.776 -3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.344 20.309 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.030 19.271 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.540 20.189 -5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.851 17.371 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.347 18.270 -6.110 1.00 0.00 H new ATOM 297 N ARG A 22 -6.416 16.660 -3.489 1.00 0.00 N ATOM 298 CA ARG A 22 -7.545 15.828 -3.111 1.00 0.00 C ATOM 299 C ARG A 22 -7.097 14.376 -2.927 1.00 0.00 C ATOM 300 O ARG A 22 -7.532 13.491 -3.662 1.00 0.00 O ATOM 301 CB ARG A 22 -8.649 15.883 -4.169 1.00 0.00 C ATOM 302 CG ARG A 22 -8.150 15.346 -5.511 1.00 0.00 C ATOM 303 CD ARG A 22 -8.396 16.358 -6.632 1.00 0.00 C ATOM 304 NE ARG A 22 -9.208 15.739 -7.704 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.521 15.495 -7.604 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.179 15.814 -6.481 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.177 14.930 -8.627 1.00 0.00 N ATOM 0 H ARG A 22 -6.206 16.666 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.939 16.212 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.506 15.298 -3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.991 16.911 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.085 15.123 -5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.657 14.410 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.909 17.234 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.445 16.702 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.738 15.483 -8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.680 16.243 -5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.179 15.628 -6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.676 14.686 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.177 14.744 -8.551 1.00 0.00 H new ATOM 321 N LEU A 23 -6.234 14.177 -1.942 1.00 0.00 N ATOM 322 CA LEU A 23 -5.722 12.849 -1.652 1.00 0.00 C ATOM 323 C LEU A 23 -6.850 11.827 -1.810 1.00 0.00 C ATOM 324 O LEU A 23 -7.674 11.663 -0.911 1.00 0.00 O ATOM 325 CB LEU A 23 -5.054 12.820 -0.276 1.00 0.00 C ATOM 326 CG LEU A 23 -3.549 13.095 -0.255 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.267 14.587 -0.071 1.00 0.00 C ATOM 328 CD2 LEU A 23 -2.851 12.245 0.808 1.00 0.00 C ATOM 0 H LEU A 23 -5.876 14.914 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.943 12.577 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.546 13.555 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.231 11.842 0.171 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.136 12.806 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.190 14.755 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.713 15.146 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.697 14.925 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.782 12.460 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.263 12.480 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.010 11.189 0.591 1.00 0.00 H new ATOM 340 N PRO A 24 -6.851 11.149 -2.989 1.00 0.00 N ATOM 341 CA PRO A 24 -7.864 10.148 -3.275 1.00 0.00 C ATOM 342 C PRO A 24 -7.598 8.859 -2.495 1.00 0.00 C ATOM 343 O PRO A 24 -6.471 8.608 -2.070 1.00 0.00 O ATOM 344 CB PRO A 24 -7.809 9.952 -4.782 1.00 0.00 C ATOM 345 CG PRO A 24 -6.462 10.500 -5.224 1.00 0.00 C ATOM 346 CD PRO A 24 -5.891 11.317 -4.076 1.00 0.00 C ATOM 0 HA PRO A 24 -8.861 10.458 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.907 8.898 -5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.626 10.479 -5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.786 9.686 -5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.575 11.119 -6.114 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.902 10.960 -3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.784 12.366 -4.351 1.00 0.00 H new ATOM 354 N TYR A 25 -8.654 8.076 -2.330 1.00 0.00 N ATOM 355 CA TYR A 25 -8.548 6.820 -1.608 1.00 0.00 C ATOM 356 C TYR A 25 -8.850 5.633 -2.525 1.00 0.00 C ATOM 357 O TYR A 25 -9.559 5.777 -3.520 1.00 0.00 O ATOM 358 CB TYR A 25 -9.607 6.877 -0.504 1.00 0.00 C ATOM 359 CG TYR A 25 -10.997 6.419 -0.951 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.324 5.078 -0.920 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.923 7.345 -1.384 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.632 4.647 -1.341 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.231 6.914 -1.804 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.521 5.586 -1.761 1.00 0.00 C ATOM 365 OH TYR A 25 -14.756 5.178 -2.158 1.00 0.00 O ATOM 0 H TYR A 25 -9.587 8.287 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.540 6.688 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.282 6.255 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.675 7.899 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.599 4.353 -0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.667 8.394 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.901 3.601 -1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.965 7.629 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.286 5.956 -2.431 1.00 0.00 H new ATOM 375 N LYS A 26 -8.295 4.487 -2.159 1.00 0.00 N ATOM 376 CA LYS A 26 -8.496 3.276 -2.936 1.00 0.00 C ATOM 377 C LYS A 26 -8.467 2.064 -2.003 1.00 0.00 C ATOM 378 O LYS A 26 -7.548 1.918 -1.198 1.00 0.00 O ATOM 379 CB LYS A 26 -7.479 3.198 -4.077 1.00 0.00 C ATOM 380 CG LYS A 26 -6.079 2.887 -3.543 1.00 0.00 C ATOM 381 CD LYS A 26 -5.926 1.394 -3.243 1.00 0.00 C ATOM 382 CE LYS A 26 -4.811 0.776 -4.088 1.00 0.00 C ATOM 383 NZ LYS A 26 -4.942 -0.698 -4.121 1.00 0.00 N ATOM 0 H LYS A 26 -7.706 4.372 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.476 3.288 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.781 2.427 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.463 4.143 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.331 3.193 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.895 3.464 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.706 1.253 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.866 0.881 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.852 1.173 -5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.840 1.052 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.132 -1.130 -3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.823 -0.979 -3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.963 -1.023 -5.109 1.00 0.00 H new ATOM 397 N VAL A 27 -9.483 1.226 -2.141 1.00 0.00 N ATOM 398 CA VAL A 27 -9.586 0.032 -1.320 1.00 0.00 C ATOM 399 C VAL A 27 -9.535 -1.205 -2.218 1.00 0.00 C ATOM 400 O VAL A 27 -10.418 -1.410 -3.050 1.00 0.00 O ATOM 401 CB VAL A 27 -10.850 0.095 -0.460 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.968 0.849 -1.184 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.308 -1.307 -0.054 1.00 0.00 C ATOM 0 H VAL A 27 -10.243 1.350 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.744 -0.031 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.609 0.645 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.855 0.880 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.641 1.866 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.205 0.339 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.208 -1.233 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.523 -1.893 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.520 -1.795 0.519 1.00 0.00 H new ATOM 413 N LEU A 28 -8.492 -1.998 -2.020 1.00 0.00 N ATOM 414 CA LEU A 28 -8.314 -3.210 -2.801 1.00 0.00 C ATOM 415 C LEU A 28 -8.972 -4.384 -2.072 1.00 0.00 C ATOM 416 O LEU A 28 -9.427 -4.238 -0.939 1.00 0.00 O ATOM 417 CB LEU A 28 -6.834 -3.433 -3.115 1.00 0.00 C ATOM 418 CG LEU A 28 -6.437 -3.330 -4.589 1.00 0.00 C ATOM 419 CD1 LEU A 28 -4.928 -3.507 -4.764 1.00 0.00 C ATOM 420 CD2 LEU A 28 -7.233 -4.321 -5.441 1.00 0.00 C ATOM 0 H LEU A 28 -7.761 -1.825 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.810 -3.116 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.250 -2.706 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.551 -4.421 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.686 -2.329 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.673 -3.429 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.404 -2.731 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.631 -4.487 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.932 -4.228 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.037 -5.336 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.298 -4.106 -5.350 1.00 0.00 H new ATOM 432 N SER A 29 -9.001 -5.520 -2.752 1.00 0.00 N ATOM 433 CA SER A 29 -9.595 -6.718 -2.183 1.00 0.00 C ATOM 434 C SER A 29 -8.821 -7.955 -2.642 1.00 0.00 C ATOM 435 O SER A 29 -8.830 -8.294 -3.825 1.00 0.00 O ATOM 436 CB SER A 29 -11.070 -6.840 -2.574 1.00 0.00 C ATOM 437 OG SER A 29 -11.248 -6.859 -3.987 1.00 0.00 O ATOM 0 H SER A 29 -8.623 -5.637 -3.692 1.00 0.00 H new ATOM 0 HA SER A 29 -9.539 -6.645 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.485 -7.752 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.628 -6.005 -2.150 1.00 0.00 H new ATOM 0 HG SER A 29 -10.529 -7.381 -4.400 1.00 0.00 H new ATOM 443 N VAL A 30 -8.170 -8.596 -1.683 1.00 0.00 N ATOM 444 CA VAL A 30 -7.392 -9.788 -1.973 1.00 0.00 C ATOM 445 C VAL A 30 -7.490 -10.756 -0.793 1.00 0.00 C ATOM 446 O VAL A 30 -7.886 -10.365 0.304 1.00 0.00 O ATOM 447 CB VAL A 30 -5.950 -9.403 -2.312 1.00 0.00 C ATOM 448 CG1 VAL A 30 -5.900 -8.063 -3.050 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.082 -9.368 -1.052 1.00 0.00 C ATOM 0 H VAL A 30 -8.165 -8.312 -0.703 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.792 -10.301 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.546 -10.167 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.864 -7.812 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.469 -8.136 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.331 -7.285 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.062 -9.092 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.485 -8.635 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.080 -10.352 -0.584 1.00 0.00 H new ATOM 459 N PRO A 31 -7.114 -12.035 -1.065 1.00 0.00 N ATOM 460 CA PRO A 31 -7.157 -13.062 -0.039 1.00 0.00 C ATOM 461 C PRO A 31 -6.001 -12.896 0.951 1.00 0.00 C ATOM 462 O PRO A 31 -4.853 -12.721 0.546 1.00 0.00 O ATOM 463 CB PRO A 31 -7.105 -14.378 -0.797 1.00 0.00 C ATOM 464 CG PRO A 31 -6.570 -14.042 -2.179 1.00 0.00 C ATOM 465 CD PRO A 31 -6.641 -12.534 -2.353 1.00 0.00 C ATOM 0 HA PRO A 31 -8.056 -13.007 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.458 -15.095 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.094 -14.831 -0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.543 -14.390 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.158 -14.543 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.666 -12.118 -2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.322 -12.260 -3.158 1.00 0.00 H new ATOM 473 N GLU A 32 -6.345 -12.959 2.229 1.00 0.00 N ATOM 474 CA GLU A 32 -5.351 -12.818 3.279 1.00 0.00 C ATOM 475 C GLU A 32 -4.113 -13.656 2.954 1.00 0.00 C ATOM 476 O GLU A 32 -3.013 -13.347 3.409 1.00 0.00 O ATOM 477 CB GLU A 32 -5.933 -13.203 4.640 1.00 0.00 C ATOM 478 CG GLU A 32 -6.672 -14.541 4.561 1.00 0.00 C ATOM 479 CD GLU A 32 -7.031 -15.052 5.958 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.320 -14.657 6.907 1.00 0.00 O ATOM 481 OE2 GLU A 32 -8.008 -15.826 6.045 1.00 0.00 O ATOM 0 H GLU A 32 -7.298 -13.106 2.561 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.053 -11.771 3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.132 -13.269 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.617 -12.425 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.579 -14.425 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.049 -15.275 4.050 1.00 0.00 H new ATOM 488 N SER A 33 -4.335 -14.701 2.170 1.00 0.00 N ATOM 489 CA SER A 33 -3.251 -15.587 1.779 1.00 0.00 C ATOM 490 C SER A 33 -2.289 -14.854 0.841 1.00 0.00 C ATOM 491 O SER A 33 -1.074 -14.916 1.020 1.00 0.00 O ATOM 492 CB SER A 33 -3.789 -16.851 1.106 1.00 0.00 C ATOM 493 OG SER A 33 -2.913 -17.962 1.280 1.00 0.00 O ATOM 0 H SER A 33 -5.249 -14.954 1.795 1.00 0.00 H new ATOM 0 HA SER A 33 -2.713 -15.888 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.768 -17.093 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.930 -16.663 0.042 1.00 0.00 H new ATOM 0 HG SER A 33 -3.292 -18.750 0.838 1.00 0.00 H new ATOM 499 N THR A 34 -2.870 -14.178 -0.139 1.00 0.00 N ATOM 500 CA THR A 34 -2.080 -13.435 -1.106 1.00 0.00 C ATOM 501 C THR A 34 -1.107 -12.496 -0.390 1.00 0.00 C ATOM 502 O THR A 34 -1.428 -11.947 0.663 1.00 0.00 O ATOM 503 CB THR A 34 -3.044 -12.708 -2.046 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.485 -13.724 -2.943 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.332 -11.699 -2.949 1.00 0.00 C ATOM 0 H THR A 34 -3.878 -14.129 -0.284 1.00 0.00 H new ATOM 0 HA THR A 34 -1.459 -14.101 -1.705 1.00 0.00 H new ATOM 0 HB THR A 34 -3.806 -12.196 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.116 -13.340 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.061 -11.211 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.833 -10.949 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.593 -12.216 -3.561 1.00 0.00 H new ATOM 513 N PRO A 35 0.095 -12.336 -1.006 1.00 0.00 N ATOM 514 CA PRO A 35 1.118 -11.473 -0.439 1.00 0.00 C ATOM 515 C PRO A 35 0.772 -9.998 -0.654 1.00 0.00 C ATOM 516 O PRO A 35 -0.012 -9.664 -1.542 1.00 0.00 O ATOM 517 CB PRO A 35 2.408 -11.887 -1.127 1.00 0.00 C ATOM 518 CG PRO A 35 1.989 -12.638 -2.381 1.00 0.00 C ATOM 519 CD PRO A 35 0.511 -12.969 -2.254 1.00 0.00 C ATOM 0 HA PRO A 35 1.207 -11.580 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.014 -11.016 -1.377 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.012 -12.519 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.169 -12.031 -3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.576 -13.549 -2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.055 -12.583 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.348 -14.046 -2.225 1.00 0.00 H new ATOM 527 N PHE A 36 1.373 -9.155 0.172 1.00 0.00 N ATOM 528 CA PHE A 36 1.138 -7.724 0.084 1.00 0.00 C ATOM 529 C PHE A 36 2.034 -7.087 -0.981 1.00 0.00 C ATOM 530 O PHE A 36 1.840 -5.928 -1.348 1.00 0.00 O ATOM 531 CB PHE A 36 1.486 -7.128 1.449 1.00 0.00 C ATOM 532 CG PHE A 36 0.682 -5.876 1.805 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.960 -4.693 1.194 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.311 -5.945 2.731 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.214 -3.531 1.524 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.057 -4.783 3.062 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.779 -3.600 2.451 1.00 0.00 C ATOM 0 H PHE A 36 2.023 -9.436 0.906 1.00 0.00 H new ATOM 0 HA PHE A 36 0.100 -7.533 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.321 -7.884 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.548 -6.883 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.748 -4.638 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.533 -6.885 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.435 -2.592 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.845 -4.839 3.799 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.346 -2.716 2.702 1.00 0.00 H new ATOM 547 N THR A 37 2.994 -7.871 -1.447 1.00 0.00 N ATOM 548 CA THR A 37 3.920 -7.397 -2.462 1.00 0.00 C ATOM 549 C THR A 37 3.209 -7.258 -3.810 1.00 0.00 C ATOM 550 O THR A 37 3.570 -6.408 -4.621 1.00 0.00 O ATOM 551 CB THR A 37 5.111 -8.357 -2.500 1.00 0.00 C ATOM 552 OG1 THR A 37 6.220 -7.521 -2.819 1.00 0.00 O ATOM 553 CG2 THR A 37 5.035 -9.338 -3.672 1.00 0.00 C ATOM 0 H THR A 37 3.151 -8.831 -1.141 1.00 0.00 H new ATOM 0 HA THR A 37 4.293 -6.401 -2.223 1.00 0.00 H new ATOM 0 HB THR A 37 5.159 -8.913 -1.564 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.036 -8.062 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.904 -9.996 -3.652 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.126 -9.934 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.021 -8.783 -4.610 1.00 0.00 H new ATOM 561 N ALA A 38 2.210 -8.107 -4.006 1.00 0.00 N ATOM 562 CA ALA A 38 1.445 -8.089 -5.241 1.00 0.00 C ATOM 563 C ALA A 38 0.461 -6.918 -5.210 1.00 0.00 C ATOM 564 O ALA A 38 0.084 -6.391 -6.255 1.00 0.00 O ATOM 565 CB ALA A 38 0.742 -9.436 -5.425 1.00 0.00 C ATOM 0 H ALA A 38 1.913 -8.811 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 38 2.103 -7.944 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.168 -9.423 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.486 -10.231 -5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.071 -9.614 -4.585 1.00 0.00 H new ATOM 571 N VAL A 39 0.074 -6.544 -3.999 1.00 0.00 N ATOM 572 CA VAL A 39 -0.858 -5.444 -3.818 1.00 0.00 C ATOM 573 C VAL A 39 -0.247 -4.163 -4.388 1.00 0.00 C ATOM 574 O VAL A 39 -0.849 -3.508 -5.237 1.00 0.00 O ATOM 575 CB VAL A 39 -1.239 -5.319 -2.341 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.155 -4.115 -2.111 1.00 0.00 C ATOM 577 CG2 VAL A 39 -1.888 -6.607 -1.831 1.00 0.00 C ATOM 0 H VAL A 39 0.389 -6.983 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.782 -5.633 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.324 -5.157 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.411 -4.049 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.642 -3.204 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.066 -4.233 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.149 -6.491 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.790 -6.813 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.189 -7.436 -1.942 1.00 0.00 H new ATOM 587 N LEU A 40 0.943 -3.845 -3.899 1.00 0.00 N ATOM 588 CA LEU A 40 1.643 -2.654 -4.350 1.00 0.00 C ATOM 589 C LEU A 40 1.465 -2.504 -5.862 1.00 0.00 C ATOM 590 O LEU A 40 0.900 -1.516 -6.329 1.00 0.00 O ATOM 591 CB LEU A 40 3.106 -2.692 -3.904 1.00 0.00 C ATOM 592 CG LEU A 40 4.050 -1.723 -4.620 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.432 -0.327 -4.718 1.00 0.00 C ATOM 594 CD2 LEU A 40 5.423 -1.696 -3.944 1.00 0.00 C ATOM 0 H LEU A 40 1.440 -4.391 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 40 1.216 -1.764 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.145 -2.483 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.482 -3.705 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 40 4.199 -2.081 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.123 0.342 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.498 -0.381 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.234 0.054 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.075 -1.000 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.312 -1.375 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.861 -2.694 -3.970 1.00 0.00 H new ATOM 606 N LYS A 41 1.956 -3.500 -6.585 1.00 0.00 N ATOM 607 CA LYS A 41 1.858 -3.491 -8.035 1.00 0.00 C ATOM 608 C LYS A 41 0.443 -3.077 -8.444 1.00 0.00 C ATOM 609 O LYS A 41 0.267 -2.137 -9.217 1.00 0.00 O ATOM 610 CB LYS A 41 2.293 -4.841 -8.609 1.00 0.00 C ATOM 611 CG LYS A 41 3.817 -4.984 -8.581 1.00 0.00 C ATOM 612 CD LYS A 41 4.304 -5.886 -9.716 1.00 0.00 C ATOM 613 CE LYS A 41 5.818 -6.090 -9.642 1.00 0.00 C ATOM 614 NZ LYS A 41 6.460 -5.672 -10.909 1.00 0.00 N ATOM 0 H LYS A 41 2.423 -4.318 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 41 2.541 -2.755 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.838 -5.648 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.934 -4.937 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.280 -4.001 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.129 -5.399 -7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.800 -6.851 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.039 -5.443 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.228 -5.514 -8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.040 -7.138 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.488 -5.817 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.081 -6.239 -11.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.263 -4.666 -11.082 1.00 0.00 H new ATOM 628 N PHE A 42 -0.529 -3.798 -7.906 1.00 0.00 N ATOM 629 CA PHE A 42 -1.923 -3.517 -8.205 1.00 0.00 C ATOM 630 C PHE A 42 -2.288 -2.083 -7.816 1.00 0.00 C ATOM 631 O PHE A 42 -2.718 -1.297 -8.660 1.00 0.00 O ATOM 632 CB PHE A 42 -2.764 -4.488 -7.374 1.00 0.00 C ATOM 633 CG PHE A 42 -4.176 -4.711 -7.918 1.00 0.00 C ATOM 634 CD1 PHE A 42 -4.973 -3.645 -8.198 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.634 -5.975 -8.121 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.284 -3.853 -8.703 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.945 -6.183 -8.626 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.742 -5.117 -8.906 1.00 0.00 C ATOM 0 H PHE A 42 -0.379 -4.577 -7.264 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.105 -3.633 -9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.249 -5.447 -7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.834 -4.111 -6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.609 -2.641 -8.036 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.001 -6.821 -7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.917 -3.007 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.309 -7.187 -8.788 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.739 -5.275 -9.290 1.00 0.00 H new ATOM 648 N ALA A 43 -2.104 -1.785 -6.538 1.00 0.00 N ATOM 649 CA ALA A 43 -2.409 -0.459 -6.028 1.00 0.00 C ATOM 650 C ALA A 43 -1.974 0.590 -7.053 1.00 0.00 C ATOM 651 O ALA A 43 -2.739 1.496 -7.382 1.00 0.00 O ATOM 652 CB ALA A 43 -1.729 -0.265 -4.671 1.00 0.00 C ATOM 0 H ALA A 43 -1.748 -2.439 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.482 -0.345 -5.875 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.958 0.730 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.094 -1.016 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.650 -0.370 -4.786 1.00 0.00 H new ATOM 658 N ALA A 44 -0.748 0.434 -7.528 1.00 0.00 N ATOM 659 CA ALA A 44 -0.202 1.357 -8.509 1.00 0.00 C ATOM 660 C ALA A 44 -1.223 1.567 -9.629 1.00 0.00 C ATOM 661 O ALA A 44 -1.575 2.701 -9.948 1.00 0.00 O ATOM 662 CB ALA A 44 1.132 0.818 -9.031 1.00 0.00 C ATOM 0 H ALA A 44 -0.116 -0.318 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.006 2.328 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.541 1.510 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.832 0.714 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.974 -0.155 -9.497 1.00 0.00 H new ATOM 668 N GLU A 45 -1.671 0.455 -10.195 1.00 0.00 N ATOM 669 CA GLU A 45 -2.645 0.503 -11.272 1.00 0.00 C ATOM 670 C GLU A 45 -3.879 1.296 -10.836 1.00 0.00 C ATOM 671 O GLU A 45 -4.436 2.064 -11.620 1.00 0.00 O ATOM 672 CB GLU A 45 -3.030 -0.906 -11.725 1.00 0.00 C ATOM 673 CG GLU A 45 -1.837 -1.624 -12.359 1.00 0.00 C ATOM 674 CD GLU A 45 -1.835 -1.449 -13.879 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.878 -1.770 -14.488 1.00 0.00 O ATOM 676 OE2 GLU A 45 -0.791 -0.997 -14.397 1.00 0.00 O ATOM 0 H GLU A 45 -1.377 -0.484 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.193 1.012 -12.123 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.393 -1.480 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.848 -0.850 -12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.909 -1.231 -11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.873 -2.685 -12.112 1.00 0.00 H new ATOM 683 N GLU A 46 -4.270 1.083 -9.588 1.00 0.00 N ATOM 684 CA GLU A 46 -5.428 1.768 -9.040 1.00 0.00 C ATOM 685 C GLU A 46 -5.222 3.284 -9.092 1.00 0.00 C ATOM 686 O GLU A 46 -6.179 4.038 -9.259 1.00 0.00 O ATOM 687 CB GLU A 46 -5.713 1.303 -7.610 1.00 0.00 C ATOM 688 CG GLU A 46 -7.000 0.477 -7.550 1.00 0.00 C ATOM 689 CD GLU A 46 -8.233 1.369 -7.708 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.265 2.418 -7.028 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.114 0.982 -8.505 1.00 0.00 O ATOM 0 H GLU A 46 -3.805 0.446 -8.941 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.296 1.518 -9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.877 0.708 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.801 2.168 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.989 -0.277 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.051 -0.055 -6.600 1.00 0.00 H new ATOM 698 N PHE A 47 -3.967 3.684 -8.947 1.00 0.00 N ATOM 699 CA PHE A 47 -3.624 5.095 -8.976 1.00 0.00 C ATOM 700 C PHE A 47 -2.979 5.475 -10.310 1.00 0.00 C ATOM 701 O PHE A 47 -2.301 6.498 -10.408 1.00 0.00 O ATOM 702 CB PHE A 47 -2.616 5.334 -7.850 1.00 0.00 C ATOM 703 CG PHE A 47 -3.257 5.583 -6.483 1.00 0.00 C ATOM 704 CD1 PHE A 47 -3.989 6.709 -6.270 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.096 4.677 -5.481 1.00 0.00 C ATOM 706 CE1 PHE A 47 -4.584 6.940 -5.002 1.00 0.00 C ATOM 707 CE2 PHE A 47 -3.692 4.908 -4.213 1.00 0.00 C ATOM 708 CZ PHE A 47 -4.423 6.035 -4.000 1.00 0.00 C ATOM 0 H PHE A 47 -3.176 3.055 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.523 5.699 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.956 4.470 -7.778 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -1.993 6.190 -8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.118 7.428 -7.066 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.515 3.782 -5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.165 7.835 -4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.565 4.189 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.875 6.211 -3.035 1.00 0.00 H new ATOM 718 N LYS A 48 -3.212 4.632 -11.305 1.00 0.00 N ATOM 719 CA LYS A 48 -2.663 4.867 -12.630 1.00 0.00 C ATOM 720 C LYS A 48 -1.206 5.319 -12.500 1.00 0.00 C ATOM 721 O LYS A 48 -0.848 6.406 -12.950 1.00 0.00 O ATOM 722 CB LYS A 48 -3.543 5.846 -13.410 1.00 0.00 C ATOM 723 CG LYS A 48 -4.760 5.135 -14.004 1.00 0.00 C ATOM 724 CD LYS A 48 -6.061 5.705 -13.434 1.00 0.00 C ATOM 725 CE LYS A 48 -7.260 5.301 -14.294 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.042 6.495 -14.686 1.00 0.00 N ATOM 0 H LYS A 48 -3.774 3.785 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.662 3.945 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.872 6.649 -12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.961 6.307 -14.208 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.756 5.244 -15.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.702 4.068 -13.790 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.203 5.347 -12.414 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.995 6.792 -13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.916 4.776 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.895 4.609 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.852 6.203 -15.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.386 6.980 -13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.438 7.142 -15.232 1.00 0.00 H new ATOM 740 N VAL A 49 -0.407 4.461 -11.883 1.00 0.00 N ATOM 741 CA VAL A 49 1.002 4.758 -11.689 1.00 0.00 C ATOM 742 C VAL A 49 1.833 3.526 -12.053 1.00 0.00 C ATOM 743 O VAL A 49 1.328 2.405 -12.037 1.00 0.00 O ATOM 744 CB VAL A 49 1.243 5.239 -10.257 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.452 6.517 -9.968 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.901 4.143 -9.245 1.00 0.00 C ATOM 0 H VAL A 49 -0.708 3.560 -11.511 1.00 0.00 H new ATOM 0 HA VAL A 49 1.316 5.568 -12.347 1.00 0.00 H new ATOM 0 HB VAL A 49 2.303 5.470 -10.155 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.641 6.838 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.764 7.302 -10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.613 6.323 -10.097 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.081 4.511 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.148 3.867 -9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.526 3.269 -9.430 1.00 0.00 H new ATOM 756 N PRO A 50 3.128 3.783 -12.382 1.00 0.00 N ATOM 757 CA PRO A 50 4.034 2.708 -12.749 1.00 0.00 C ATOM 758 C PRO A 50 4.469 1.912 -11.517 1.00 0.00 C ATOM 759 O PRO A 50 4.776 2.491 -10.476 1.00 0.00 O ATOM 760 CB PRO A 50 5.194 3.395 -13.452 1.00 0.00 C ATOM 761 CG PRO A 50 5.122 4.857 -13.044 1.00 0.00 C ATOM 762 CD PRO A 50 3.761 5.098 -12.412 1.00 0.00 C ATOM 0 HA PRO A 50 3.569 1.971 -13.403 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.146 2.954 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.114 3.287 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.918 5.096 -12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.260 5.503 -13.911 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.858 5.514 -11.409 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.174 5.807 -12.995 1.00 0.00 H new ATOM 770 N ALA A 51 4.480 0.597 -11.676 1.00 0.00 N ATOM 771 CA ALA A 51 4.872 -0.285 -10.590 1.00 0.00 C ATOM 772 C ALA A 51 6.394 -0.437 -10.585 1.00 0.00 C ATOM 773 O ALA A 51 6.912 -1.541 -10.740 1.00 0.00 O ATOM 774 CB ALA A 51 4.153 -1.628 -10.737 1.00 0.00 C ATOM 0 H ALA A 51 4.224 0.121 -12.541 1.00 0.00 H new ATOM 0 HA ALA A 51 4.580 0.138 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.447 -2.289 -9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.075 -1.469 -10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.424 -2.083 -11.690 1.00 0.00 H new ATOM 780 N ALA A 52 7.068 0.690 -10.405 1.00 0.00 N ATOM 781 CA ALA A 52 8.521 0.696 -10.378 1.00 0.00 C ATOM 782 C ALA A 52 9.006 1.868 -9.522 1.00 0.00 C ATOM 783 O ALA A 52 9.851 1.693 -8.646 1.00 0.00 O ATOM 784 CB ALA A 52 9.058 0.759 -11.810 1.00 0.00 C ATOM 0 H ALA A 52 6.635 1.605 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 52 8.900 -0.221 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.148 0.764 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.709 -0.110 -12.368 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.700 1.668 -12.293 1.00 0.00 H new ATOM 790 N THR A 53 8.449 3.037 -9.806 1.00 0.00 N ATOM 791 CA THR A 53 8.814 4.237 -9.072 1.00 0.00 C ATOM 792 C THR A 53 7.779 4.533 -7.985 1.00 0.00 C ATOM 793 O THR A 53 7.470 5.693 -7.717 1.00 0.00 O ATOM 794 CB THR A 53 8.979 5.375 -10.081 1.00 0.00 C ATOM 795 OG1 THR A 53 7.695 5.489 -10.689 1.00 0.00 O ATOM 796 CG2 THR A 53 9.908 5.003 -11.238 1.00 0.00 C ATOM 0 H THR A 53 7.748 3.178 -10.534 1.00 0.00 H new ATOM 0 HA THR A 53 9.761 4.108 -8.548 1.00 0.00 H new ATOM 0 HB THR A 53 9.369 6.257 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.712 6.206 -11.357 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.990 5.846 -11.924 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.895 4.756 -10.847 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.502 4.142 -11.768 1.00 0.00 H new ATOM 804 N SER A 54 7.272 3.464 -7.389 1.00 0.00 N ATOM 805 CA SER A 54 6.278 3.595 -6.337 1.00 0.00 C ATOM 806 C SER A 54 6.549 2.574 -5.231 1.00 0.00 C ATOM 807 O SER A 54 7.213 1.564 -5.462 1.00 0.00 O ATOM 808 CB SER A 54 4.863 3.414 -6.891 1.00 0.00 C ATOM 809 OG SER A 54 4.702 4.042 -8.160 1.00 0.00 O ATOM 0 H SER A 54 7.531 2.503 -7.614 1.00 0.00 H new ATOM 0 HA SER A 54 6.351 4.600 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.643 2.350 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.142 3.829 -6.187 1.00 0.00 H new ATOM 0 HG SER A 54 4.754 3.367 -8.868 1.00 0.00 H new ATOM 815 N ALA A 55 6.021 2.871 -4.053 1.00 0.00 N ATOM 816 CA ALA A 55 6.198 1.991 -2.910 1.00 0.00 C ATOM 817 C ALA A 55 5.157 2.334 -1.842 1.00 0.00 C ATOM 818 O ALA A 55 4.657 3.456 -1.795 1.00 0.00 O ATOM 819 CB ALA A 55 7.631 2.114 -2.388 1.00 0.00 C ATOM 0 H ALA A 55 5.470 3.709 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 55 6.044 0.951 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.764 1.454 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.330 1.832 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.821 3.144 -2.086 1.00 0.00 H new ATOM 825 N ILE A 56 4.862 1.345 -1.010 1.00 0.00 N ATOM 826 CA ILE A 56 3.890 1.528 0.054 1.00 0.00 C ATOM 827 C ILE A 56 4.597 1.427 1.407 1.00 0.00 C ATOM 828 O ILE A 56 5.463 0.574 1.597 1.00 0.00 O ATOM 829 CB ILE A 56 2.728 0.546 -0.108 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.964 0.810 -1.407 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.808 0.579 1.114 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.134 -0.409 -1.812 1.00 0.00 C ATOM 0 H ILE A 56 5.279 0.415 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 56 3.447 2.522 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 56 3.139 -0.461 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.311 1.673 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.667 1.057 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.990 -0.128 0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.375 0.305 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.402 1.583 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.601 -0.195 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.793 -1.264 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.416 -0.638 -1.025 1.00 0.00 H new ATOM 844 N ILE A 57 4.201 2.309 2.313 1.00 0.00 N ATOM 845 CA ILE A 57 4.785 2.329 3.643 1.00 0.00 C ATOM 846 C ILE A 57 3.667 2.388 4.686 1.00 0.00 C ATOM 847 O ILE A 57 2.532 2.735 4.365 1.00 0.00 O ATOM 848 CB ILE A 57 5.800 3.468 3.765 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.116 4.829 3.628 1.00 0.00 C ATOM 850 CG2 ILE A 57 6.941 3.295 2.759 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.031 5.954 4.117 1.00 0.00 C ATOM 0 H ILE A 57 3.483 3.015 2.152 1.00 0.00 H new ATOM 0 HA ILE A 57 5.345 1.412 3.827 1.00 0.00 H new ATOM 0 HB ILE A 57 6.240 3.429 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.847 5.001 2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.189 4.834 4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.648 4.117 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.451 2.350 2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.537 3.294 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.521 6.911 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.279 5.791 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.946 5.962 3.525 1.00 0.00 H new ATOM 863 N THR A 58 4.028 2.044 5.914 1.00 0.00 N ATOM 864 CA THR A 58 3.070 2.054 7.006 1.00 0.00 C ATOM 865 C THR A 58 3.343 3.230 7.945 1.00 0.00 C ATOM 866 O THR A 58 4.337 3.938 7.787 1.00 0.00 O ATOM 867 CB THR A 58 3.132 0.693 7.702 1.00 0.00 C ATOM 868 OG1 THR A 58 2.482 0.911 8.951 1.00 0.00 O ATOM 869 CG2 THR A 58 4.559 0.298 8.088 1.00 0.00 C ATOM 0 H THR A 58 4.971 1.757 6.176 1.00 0.00 H new ATOM 0 HA THR A 58 2.054 2.202 6.639 1.00 0.00 H new ATOM 0 HB THR A 58 2.709 -0.069 7.047 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.511 0.856 8.828 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.547 -0.675 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.177 0.245 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.971 1.042 8.769 1.00 0.00 H new ATOM 877 N ASN A 59 2.444 3.403 8.903 1.00 0.00 N ATOM 878 CA ASN A 59 2.576 4.481 9.868 1.00 0.00 C ATOM 879 C ASN A 59 4.044 4.619 10.274 1.00 0.00 C ATOM 880 O ASN A 59 4.731 3.620 10.481 1.00 0.00 O ATOM 881 CB ASN A 59 1.761 4.193 11.130 1.00 0.00 C ATOM 882 CG ASN A 59 0.333 4.726 10.995 1.00 0.00 C ATOM 883 OD1 ASN A 59 0.087 5.782 10.436 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.592 3.938 11.536 1.00 0.00 N ATOM 0 H ASN A 59 1.621 2.814 9.031 1.00 0.00 H new ATOM 0 HA ASN A 59 2.210 5.396 9.403 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.736 3.119 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.244 4.653 11.992 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.576 4.205 11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.318 3.066 11.989 1.00 0.00 H new ATOM 891 N ASP A 60 4.482 5.865 10.376 1.00 0.00 N ATOM 892 CA ASP A 60 5.856 6.147 10.754 1.00 0.00 C ATOM 893 C ASP A 60 6.792 5.699 9.629 1.00 0.00 C ATOM 894 O ASP A 60 8.002 5.601 9.826 1.00 0.00 O ATOM 895 CB ASP A 60 6.245 5.388 12.024 1.00 0.00 C ATOM 896 CG ASP A 60 6.499 6.266 13.250 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.477 7.504 13.077 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.709 5.680 14.334 1.00 0.00 O ATOM 0 H ASP A 60 3.909 6.691 10.203 1.00 0.00 H new ATOM 0 HA ASP A 60 5.943 7.218 10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.453 4.678 12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.144 4.806 11.820 1.00 0.00 H new ATOM 903 N GLY A 61 6.196 5.438 8.475 1.00 0.00 N ATOM 904 CA GLY A 61 6.961 5.003 7.319 1.00 0.00 C ATOM 905 C GLY A 61 8.091 4.059 7.734 1.00 0.00 C ATOM 906 O GLY A 61 9.266 4.365 7.534 1.00 0.00 O ATOM 0 H GLY A 61 5.192 5.519 8.316 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.303 4.499 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.377 5.870 6.806 1.00 0.00 H new ATOM 910 N ILE A 62 7.697 2.930 8.305 1.00 0.00 N ATOM 911 CA ILE A 62 8.663 1.939 8.749 1.00 0.00 C ATOM 912 C ILE A 62 8.926 0.945 7.616 1.00 0.00 C ATOM 913 O ILE A 62 9.593 -0.069 7.818 1.00 0.00 O ATOM 914 CB ILE A 62 8.195 1.281 10.049 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.375 0.679 10.814 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.101 0.246 9.776 1.00 0.00 C ATOM 917 CD1 ILE A 62 8.893 -0.112 12.032 1.00 0.00 C ATOM 0 H ILE A 62 6.722 2.679 8.470 1.00 0.00 H new ATOM 0 HA ILE A 62 9.616 2.414 8.984 1.00 0.00 H new ATOM 0 HB ILE A 62 7.759 2.051 10.685 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.945 0.025 10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.048 1.474 11.135 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.786 -0.207 10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.248 0.734 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.489 -0.527 9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.752 -0.529 12.558 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.344 0.550 12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.240 -0.921 11.705 1.00 0.00 H new ATOM 929 N GLY A 63 8.389 1.271 6.450 1.00 0.00 N ATOM 930 CA GLY A 63 8.557 0.419 5.285 1.00 0.00 C ATOM 931 C GLY A 63 8.023 -0.989 5.553 1.00 0.00 C ATOM 932 O GLY A 63 8.532 -1.694 6.423 1.00 0.00 O ATOM 0 H GLY A 63 7.837 2.113 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.034 0.854 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.612 0.367 5.018 1.00 0.00 H new ATOM 936 N ILE A 64 7.004 -1.357 4.790 1.00 0.00 N ATOM 937 CA ILE A 64 6.396 -2.668 4.934 1.00 0.00 C ATOM 938 C ILE A 64 7.336 -3.728 4.356 1.00 0.00 C ATOM 939 O ILE A 64 8.255 -3.404 3.606 1.00 0.00 O ATOM 940 CB ILE A 64 4.997 -2.681 4.314 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.089 -1.652 4.989 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.396 -4.088 4.349 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.743 -1.551 4.267 1.00 0.00 C ATOM 0 H ILE A 64 6.584 -0.769 4.070 1.00 0.00 H new ATOM 0 HA ILE A 64 6.254 -2.909 5.988 1.00 0.00 H new ATOM 0 HB ILE A 64 5.084 -2.394 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.927 -1.932 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.578 -0.678 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.402 -4.070 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.034 -4.770 3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.324 -4.427 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.116 -0.813 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.907 -1.247 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.246 -2.521 4.286 1.00 0.00 H new ATOM 955 N ASN A 65 7.071 -4.973 4.726 1.00 0.00 N ATOM 956 CA ASN A 65 7.882 -6.082 4.253 1.00 0.00 C ATOM 957 C ASN A 65 6.976 -7.277 3.950 1.00 0.00 C ATOM 958 O ASN A 65 6.277 -7.771 4.833 1.00 0.00 O ATOM 959 CB ASN A 65 8.896 -6.515 5.313 1.00 0.00 C ATOM 960 CG ASN A 65 10.277 -5.923 5.025 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.110 -6.518 4.362 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.473 -4.720 5.558 1.00 0.00 N ATOM 0 H ASN A 65 6.307 -5.238 5.347 1.00 0.00 H new ATOM 0 HA ASN A 65 8.413 -5.754 3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.557 -6.194 6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.960 -7.603 5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.363 -4.241 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.733 -4.277 6.103 1.00 0.00 H new ATOM 969 N PRO A 66 7.018 -7.719 2.664 1.00 0.00 N ATOM 970 CA PRO A 66 6.210 -8.847 2.234 1.00 0.00 C ATOM 971 C PRO A 66 6.793 -10.166 2.743 1.00 0.00 C ATOM 972 O PRO A 66 6.998 -11.099 1.968 1.00 0.00 O ATOM 973 CB PRO A 66 6.183 -8.756 0.717 1.00 0.00 C ATOM 974 CG PRO A 66 7.351 -7.862 0.332 1.00 0.00 C ATOM 975 CD PRO A 66 7.834 -7.159 1.591 1.00 0.00 C ATOM 0 HA PRO A 66 5.199 -8.818 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.281 -9.743 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.239 -8.338 0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.155 -8.452 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.043 -7.133 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.895 -7.341 1.764 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.704 -6.079 1.517 1.00 0.00 H new ATOM 983 N ALA A 67 7.045 -10.202 4.043 1.00 0.00 N ATOM 984 CA ALA A 67 7.602 -11.392 4.665 1.00 0.00 C ATOM 985 C ALA A 67 6.480 -12.402 4.917 1.00 0.00 C ATOM 986 O ALA A 67 6.713 -13.610 4.903 1.00 0.00 O ATOM 987 CB ALA A 67 8.334 -11.001 5.950 1.00 0.00 C ATOM 0 H ALA A 67 6.874 -9.426 4.683 1.00 0.00 H new ATOM 0 HA ALA A 67 8.330 -11.865 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.752 -11.893 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.139 -10.305 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.634 -10.526 6.637 1.00 0.00 H new ATOM 993 N GLN A 68 5.288 -11.870 5.143 1.00 0.00 N ATOM 994 CA GLN A 68 4.130 -12.710 5.398 1.00 0.00 C ATOM 995 C GLN A 68 2.998 -12.361 4.430 1.00 0.00 C ATOM 996 O GLN A 68 3.076 -11.367 3.710 1.00 0.00 O ATOM 997 CB GLN A 68 3.669 -12.581 6.851 1.00 0.00 C ATOM 998 CG GLN A 68 3.678 -11.119 7.302 1.00 0.00 C ATOM 999 CD GLN A 68 5.094 -10.664 7.658 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.930 -11.436 8.097 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.317 -9.370 7.444 1.00 0.00 N ATOM 0 H GLN A 68 5.099 -10.868 5.155 1.00 0.00 H new ATOM 0 HA GLN A 68 4.415 -13.749 5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.664 -12.991 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.322 -13.168 7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.278 -10.488 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.025 -10.997 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.573 -8.779 7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.232 -8.969 7.650 1.00 0.00 H new ATOM 1010 N THR A 69 1.971 -13.199 4.444 1.00 0.00 N ATOM 1011 CA THR A 69 0.824 -12.992 3.577 1.00 0.00 C ATOM 1012 C THR A 69 0.235 -11.597 3.796 1.00 0.00 C ATOM 1013 O THR A 69 0.350 -11.034 4.884 1.00 0.00 O ATOM 1014 CB THR A 69 -0.175 -14.121 3.836 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.617 -13.893 5.172 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.496 -15.495 3.895 1.00 0.00 C ATOM 0 H THR A 69 1.910 -14.023 5.042 1.00 0.00 H new ATOM 0 HA THR A 69 1.111 -13.028 2.526 1.00 0.00 H new ATOM 0 HB THR A 69 -0.934 -14.121 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.564 -13.640 5.165 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.258 -16.260 4.081 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.993 -15.698 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.231 -15.507 4.700 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.383 -11.078 2.744 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.990 -9.760 2.808 1.00 0.00 C ATOM 1026 C ALA A 70 -1.810 -9.642 4.094 1.00 0.00 C ATOM 1027 O ALA A 70 -1.626 -8.704 4.868 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.835 -9.526 1.554 1.00 0.00 C ATOM 0 H ALA A 70 -0.476 -11.547 1.843 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.223 -8.985 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.291 -8.537 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.200 -9.591 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.617 -10.283 1.496 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.697 -10.608 4.283 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.546 -10.625 5.463 1.00 0.00 C ATOM 1036 C GLY A 71 -2.707 -10.585 6.742 1.00 0.00 C ATOM 1037 O GLY A 71 -3.200 -10.192 7.799 1.00 0.00 O ATOM 0 H GLY A 71 -2.846 -11.385 3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.223 -9.771 5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.165 -11.522 5.457 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.455 -10.996 6.604 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.544 -11.012 7.736 1.00 0.00 C ATOM 1043 C ASN A 72 0.283 -9.725 7.737 1.00 0.00 C ATOM 1044 O ASN A 72 0.875 -9.364 8.753 1.00 0.00 O ATOM 1045 CB ASN A 72 0.422 -12.195 7.648 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.253 -13.489 8.108 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.354 -13.492 8.634 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.466 -14.584 7.880 1.00 0.00 N ATOM 0 H ASN A 72 -1.050 -11.320 5.726 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.138 -11.098 8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.772 -12.308 6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.300 -11.999 8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.103 -15.498 8.150 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.381 -14.510 7.435 1.00 0.00 H new ATOM 1055 N VAL A 73 0.299 -9.068 6.586 1.00 0.00 N ATOM 1056 CA VAL A 73 1.044 -7.829 6.442 1.00 0.00 C ATOM 1057 C VAL A 73 0.132 -6.648 6.779 1.00 0.00 C ATOM 1058 O VAL A 73 0.524 -5.748 7.521 1.00 0.00 O ATOM 1059 CB VAL A 73 1.643 -7.739 5.037 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.284 -6.371 4.800 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.650 -8.866 4.797 1.00 0.00 C ATOM 0 H VAL A 73 -0.192 -9.371 5.745 1.00 0.00 H new ATOM 0 HA VAL A 73 1.881 -7.803 7.140 1.00 0.00 H new ATOM 0 HB VAL A 73 0.831 -7.857 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.702 -6.334 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.529 -5.592 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.078 -6.210 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.061 -8.779 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.457 -8.794 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.150 -9.829 4.903 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.068 -6.689 6.219 1.00 0.00 N ATOM 1072 CA PHE A 74 -2.039 -5.633 6.452 1.00 0.00 C ATOM 1073 C PHE A 74 -2.545 -5.662 7.895 1.00 0.00 C ATOM 1074 O PHE A 74 -3.214 -4.731 8.341 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.214 -5.891 5.506 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.410 -6.574 6.172 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.247 -7.769 6.802 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.636 -5.987 6.135 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.357 -8.403 7.420 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.746 -6.621 6.753 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.583 -7.816 7.382 1.00 0.00 C ATOM 0 H PHE A 74 -1.390 -7.437 5.605 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.581 -4.660 6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.541 -4.942 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.871 -6.510 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.273 -8.235 6.832 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.765 -5.038 5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.228 -9.351 7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.720 -6.154 6.724 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.427 -8.299 7.851 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.206 -6.741 8.586 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.618 -6.903 9.970 1.00 0.00 C ATOM 1093 C LEU A 75 -1.536 -6.334 10.890 1.00 0.00 C ATOM 1094 O LEU A 75 -1.833 -5.564 11.801 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.963 -8.365 10.258 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.763 -8.626 11.536 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.230 -8.918 11.215 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -3.125 -9.743 12.364 1.00 0.00 C ATOM 0 H LEU A 75 -1.651 -7.511 8.213 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.531 -6.339 10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.528 -8.758 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.034 -8.933 10.312 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.740 -7.721 12.143 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.776 -9.100 12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.667 -8.063 10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.294 -9.799 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.713 -9.908 13.267 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.096 -10.661 11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.110 -9.457 12.640 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.302 -6.735 10.618 1.00 0.00 N ATOM 1111 CA LYS A 76 0.826 -6.274 11.410 1.00 0.00 C ATOM 1112 C LYS A 76 1.110 -4.808 11.079 1.00 0.00 C ATOM 1113 O LYS A 76 1.599 -4.061 11.925 1.00 0.00 O ATOM 1114 CB LYS A 76 2.031 -7.195 11.211 1.00 0.00 C ATOM 1115 CG LYS A 76 2.663 -6.981 9.834 1.00 0.00 C ATOM 1116 CD LYS A 76 4.171 -7.237 9.877 1.00 0.00 C ATOM 1117 CE LYS A 76 4.481 -8.577 10.547 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.303 -8.371 11.761 1.00 0.00 N ATOM 0 H LYS A 76 -0.059 -7.374 9.861 1.00 0.00 H new ATOM 0 HA LYS A 76 0.591 -6.321 12.473 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.771 -7.005 11.988 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.720 -8.234 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.198 -7.649 9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.473 -5.962 9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.573 -7.231 8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.665 -6.432 10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.552 -9.082 10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.009 -9.226 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.505 -9.290 12.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.197 -7.909 11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.785 -7.769 12.433 1.00 0.00 H new ATOM 1132 N HIS A 77 0.793 -4.440 9.846 1.00 0.00 N ATOM 1133 CA HIS A 77 1.008 -3.076 9.394 1.00 0.00 C ATOM 1134 C HIS A 77 -0.297 -2.286 9.505 1.00 0.00 C ATOM 1135 O HIS A 77 -0.319 -1.193 10.067 1.00 0.00 O ATOM 1136 CB HIS A 77 1.593 -3.059 7.980 1.00 0.00 C ATOM 1137 CG HIS A 77 2.972 -3.666 7.878 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.127 -2.952 8.143 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.368 -4.927 7.540 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.166 -3.755 7.967 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.693 -4.979 7.593 1.00 0.00 N ATOM 0 H HIS A 77 0.389 -5.063 9.146 1.00 0.00 H new ATOM 0 HA HIS A 77 1.742 -2.588 10.035 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.920 -3.598 7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.634 -2.028 7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.714 -5.744 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.204 -3.488 8.097 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.264 -5.799 7.388 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.353 -2.871 8.959 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.660 -2.235 8.990 1.00 0.00 C ATOM 1151 C GLY A 78 -3.234 -2.094 7.579 1.00 0.00 C ATOM 1152 O GLY A 78 -2.541 -2.346 6.594 1.00 0.00 O ATOM 0 H GLY A 78 -1.331 -3.778 8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.340 -2.823 9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.579 -1.252 9.454 1.00 0.00 H new ATOM 1156 N SER A 79 -4.496 -1.693 7.525 1.00 0.00 N ATOM 1157 CA SER A 79 -5.171 -1.515 6.251 1.00 0.00 C ATOM 1158 C SER A 79 -4.947 -0.094 5.733 1.00 0.00 C ATOM 1159 O SER A 79 -4.937 0.136 4.524 1.00 0.00 O ATOM 1160 CB SER A 79 -6.669 -1.804 6.377 1.00 0.00 C ATOM 1161 OG SER A 79 -7.459 -0.828 5.703 1.00 0.00 O ATOM 0 H SER A 79 -5.069 -1.486 8.343 1.00 0.00 H new ATOM 0 HA SER A 79 -4.749 -2.224 5.539 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.884 -2.791 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.946 -1.830 7.431 1.00 0.00 H new ATOM 0 HG SER A 79 -8.408 -1.048 5.805 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.771 0.824 6.672 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.547 2.217 6.326 1.00 0.00 C ATOM 1169 C GLU A 80 -3.050 2.487 6.154 1.00 0.00 C ATOM 1170 O GLU A 80 -2.302 2.497 7.131 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.155 3.148 7.376 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.674 2.980 7.444 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.232 3.551 8.749 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.440 4.783 8.787 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.437 2.742 9.680 1.00 0.00 O ATOM 0 H GLU A 80 -4.779 0.630 7.673 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.044 2.420 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.718 2.936 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.910 4.183 7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.137 3.483 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.930 1.923 7.367 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.659 2.699 4.906 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.265 2.969 4.595 1.00 0.00 C ATOM 1184 C LEU A 81 -1.190 4.009 3.475 1.00 0.00 C ATOM 1185 O LEU A 81 -2.177 4.255 2.784 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.526 1.667 4.277 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.981 0.430 5.054 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.674 -0.850 4.275 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.368 0.409 6.456 1.00 0.00 C ATOM 0 H LEU A 81 -3.282 2.689 4.099 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.756 3.394 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.634 1.462 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.536 1.820 4.466 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.063 0.481 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.007 -1.714 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.195 -0.827 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.400 -0.922 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.707 -0.480 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.719 0.393 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.679 1.299 7.002 1.00 0.00 H new ATOM 1201 N ARG A 82 -0.008 4.591 3.331 1.00 0.00 N ATOM 1202 CA ARG A 82 0.209 5.599 2.308 1.00 0.00 C ATOM 1203 C ARG A 82 1.223 5.099 1.277 1.00 0.00 C ATOM 1204 O ARG A 82 2.166 4.388 1.623 1.00 0.00 O ATOM 1205 CB ARG A 82 0.717 6.906 2.920 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.239 7.413 4.001 1.00 0.00 C ATOM 1207 CD ARG A 82 0.488 7.597 5.334 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.450 8.115 6.355 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.942 9.362 6.360 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -0.588 10.225 5.398 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.788 9.745 7.326 1.00 0.00 N ATOM 0 H ARG A 82 0.809 4.383 3.906 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.748 5.787 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.707 6.750 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.823 7.660 2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.678 8.361 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.060 6.707 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.908 6.646 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.322 8.288 5.210 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.740 7.484 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.055 9.933 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.962 11.174 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.058 9.088 8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.162 10.694 7.330 1.00 0.00 H new ATOM 1225 N ILE A 83 0.996 5.490 0.032 1.00 0.00 N ATOM 1226 CA ILE A 83 1.878 5.089 -1.051 1.00 0.00 C ATOM 1227 C ILE A 83 2.818 6.248 -1.392 1.00 0.00 C ATOM 1228 O ILE A 83 2.365 7.338 -1.736 1.00 0.00 O ATOM 1229 CB ILE A 83 1.065 4.585 -2.246 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.897 3.640 -3.115 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.494 5.753 -3.053 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.996 2.725 -3.947 1.00 0.00 C ATOM 0 H ILE A 83 0.214 6.080 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 83 2.502 4.250 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 83 0.219 4.012 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.541 4.220 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.549 3.037 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.079 5.367 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.157 6.352 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.310 6.373 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.612 2.063 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.370 2.129 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.363 3.330 -4.596 1.00 0.00 H new ATOM 1244 N ILE A 84 4.109 5.971 -1.284 1.00 0.00 N ATOM 1245 CA ILE A 84 5.116 6.976 -1.577 1.00 0.00 C ATOM 1246 C ILE A 84 5.908 6.553 -2.816 1.00 0.00 C ATOM 1247 O ILE A 84 5.996 5.366 -3.125 1.00 0.00 O ATOM 1248 CB ILE A 84 5.990 7.233 -0.347 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.889 6.031 -0.052 1.00 0.00 C ATOM 1250 CG2 ILE A 84 5.135 7.620 0.862 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.332 6.308 -0.477 1.00 0.00 C ATOM 0 H ILE A 84 4.481 5.065 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 84 4.644 7.931 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 84 6.644 8.078 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.858 5.802 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.513 5.154 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.780 7.797 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.575 8.527 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.440 6.812 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.950 5.438 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.363 6.513 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.713 7.171 0.069 1.00 0.00 H new ATOM 1263 N PRO A 85 6.480 7.574 -3.509 1.00 0.00 N ATOM 1264 CA PRO A 85 7.261 7.320 -4.707 1.00 0.00 C ATOM 1265 C PRO A 85 8.635 6.745 -4.354 1.00 0.00 C ATOM 1266 O PRO A 85 9.260 7.172 -3.385 1.00 0.00 O ATOM 1267 CB PRO A 85 7.344 8.662 -5.415 1.00 0.00 C ATOM 1268 CG PRO A 85 7.008 9.709 -4.365 1.00 0.00 C ATOM 1269 CD PRO A 85 6.397 8.992 -3.172 1.00 0.00 C ATOM 0 HA PRO A 85 6.806 6.571 -5.354 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.340 8.826 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.644 8.707 -6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.905 10.252 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.310 10.443 -4.768 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.943 9.214 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.364 9.301 -3.011 1.00 0.00 H new ATOM 1277 N ARG A 86 9.063 5.784 -5.160 1.00 0.00 N ATOM 1278 CA ARG A 86 10.351 5.146 -4.945 1.00 0.00 C ATOM 1279 C ARG A 86 11.278 5.407 -6.134 1.00 0.00 C ATOM 1280 O ARG A 86 11.466 4.535 -6.981 1.00 0.00 O ATOM 1281 CB ARG A 86 10.192 3.637 -4.752 1.00 0.00 C ATOM 1282 CG ARG A 86 11.472 3.019 -4.185 1.00 0.00 C ATOM 1283 CD ARG A 86 11.290 1.522 -3.926 1.00 0.00 C ATOM 1284 NE ARG A 86 12.434 1.001 -3.145 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.599 -0.290 -2.824 1.00 0.00 C ATOM 1286 NH1 ARG A 86 11.694 -1.198 -3.215 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.668 -0.672 -2.112 1.00 0.00 N ATOM 0 H ARG A 86 8.541 5.432 -5.962 1.00 0.00 H new ATOM 0 HA ARG A 86 10.786 5.573 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.359 3.439 -4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.949 3.168 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.295 3.174 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.743 3.522 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.360 1.349 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.212 0.988 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 86 13.141 1.666 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.880 -0.907 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.819 -2.180 -2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.356 0.020 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.794 -1.654 -1.868 1.00 0.00 H new