USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 66 HIS : no HE2:sc= -4.51! C(o=-5.6!,f=-8.8!) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.1 K(o=-5.6,f=-3.8) USER MOD Set 2.1: A 55 SER OG : rot 180:sc= -1.4 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.773 K(o=-0.77,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0176 X(o=-0.018,f=0.027) USER MOD Single : A 29 MET CE :methyl 165:sc=-0.00805 (180deg=-0.0619) USER MOD Single : A 32 THR OG1 : rot -170:sc= 0.01 USER MOD Single : A 34 SER OG : rot 160:sc= -2.8 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= -0.113 (180deg=-0.377) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.00188 X(o=0.0019,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.42) USER MOD Single : A 64 MET CE :methyl -173:sc= 0 (180deg=-0.0304) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 71 ASN : amide:sc= -0.0373 X(o=-0.037,f=-0.21) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.107 (180deg=-0.387) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -18:sc= 0.388 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -169:sc= -2.68! (180deg=-2.86) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0674 K(o=-0.067,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.357 -5.379 13.388 1.00 0.00 N ATOM 60 CA GLY A 7 -3.006 -5.388 13.921 1.00 0.00 C ATOM 61 C GLY A 7 -2.041 -4.658 12.985 1.00 0.00 C ATOM 62 O GLY A 7 -2.189 -4.720 11.765 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.995 -4.913 14.902 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.674 -6.417 14.061 1.00 0.00 H new ATOM 66 N SER A 8 -1.076 -3.983 13.590 1.00 0.00 N ATOM 67 CA SER A 8 -0.087 -3.242 12.825 1.00 0.00 C ATOM 68 C SER A 8 1.096 -4.149 12.481 1.00 0.00 C ATOM 69 O SER A 8 1.458 -5.027 13.262 1.00 0.00 O ATOM 70 CB SER A 8 0.395 -2.010 13.595 1.00 0.00 C ATOM 71 OG SER A 8 0.621 -2.297 14.973 1.00 0.00 O ATOM 0 H SER A 8 -0.957 -3.933 14.602 1.00 0.00 H new ATOM 0 HA SER A 8 -0.555 -2.900 11.902 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.316 -1.639 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.345 -1.215 13.507 1.00 0.00 H new ATOM 0 HG SER A 8 0.929 -1.487 15.430 1.00 0.00 H new ATOM 77 N VAL A 9 1.665 -3.905 11.309 1.00 0.00 N ATOM 78 CA VAL A 9 2.800 -4.689 10.851 1.00 0.00 C ATOM 79 C VAL A 9 4.018 -3.775 10.702 1.00 0.00 C ATOM 80 O VAL A 9 3.874 -2.574 10.479 1.00 0.00 O ATOM 81 CB VAL A 9 2.441 -5.423 9.558 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.459 -4.604 8.717 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.697 -5.766 8.755 1.00 0.00 C ATOM 0 H VAL A 9 1.361 -3.176 10.663 1.00 0.00 H new ATOM 0 HA VAL A 9 3.056 -5.455 11.583 1.00 0.00 H new ATOM 0 HB VAL A 9 1.951 -6.358 9.829 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.220 -5.148 7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.546 -4.434 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.911 -3.646 8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.413 -6.287 7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.228 -4.849 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.346 -6.407 9.351 1.00 0.00 H new ATOM 93 N SER A 10 5.190 -4.380 10.830 1.00 0.00 N ATOM 94 CA SER A 10 6.433 -3.636 10.712 1.00 0.00 C ATOM 95 C SER A 10 7.299 -4.237 9.604 1.00 0.00 C ATOM 96 O SER A 10 7.634 -5.420 9.646 1.00 0.00 O ATOM 97 CB SER A 10 7.197 -3.626 12.037 1.00 0.00 C ATOM 98 OG SER A 10 8.463 -2.984 11.919 1.00 0.00 O ATOM 0 H SER A 10 5.305 -5.377 11.014 1.00 0.00 H new ATOM 0 HA SER A 10 6.191 -2.604 10.456 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.602 -3.117 12.795 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.341 -4.651 12.380 1.00 0.00 H new ATOM 0 HG SER A 10 8.919 -2.997 12.787 1.00 0.00 H new ATOM 104 N LEU A 11 7.637 -3.395 8.638 1.00 0.00 N ATOM 105 CA LEU A 11 8.458 -3.828 7.520 1.00 0.00 C ATOM 106 C LEU A 11 9.811 -3.116 7.580 1.00 0.00 C ATOM 107 O LEU A 11 9.889 -1.958 7.987 1.00 0.00 O ATOM 108 CB LEU A 11 7.714 -3.625 6.199 1.00 0.00 C ATOM 109 CG LEU A 11 6.287 -4.173 6.142 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.647 -3.895 4.780 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.255 -5.661 6.497 1.00 0.00 C ATOM 0 H LEU A 11 7.357 -2.415 8.607 1.00 0.00 H new ATOM 0 HA LEU A 11 8.657 -4.898 7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.681 -2.557 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.294 -4.092 5.403 1.00 0.00 H new ATOM 0 HG LEU A 11 5.691 -3.651 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.633 -4.295 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.615 -2.820 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.236 -4.372 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.229 -6.025 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.871 -6.217 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.643 -5.803 7.506 1.00 0.00 H new ATOM 123 N VAL A 12 10.843 -3.838 7.170 1.00 0.00 N ATOM 124 CA VAL A 12 12.188 -3.290 7.172 1.00 0.00 C ATOM 125 C VAL A 12 12.673 -3.135 5.729 1.00 0.00 C ATOM 126 O VAL A 12 12.995 -4.122 5.069 1.00 0.00 O ATOM 127 CB VAL A 12 13.110 -4.168 8.021 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.046 -5.628 7.569 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.547 -3.645 7.988 1.00 0.00 C ATOM 0 H VAL A 12 10.775 -4.799 6.834 1.00 0.00 H new ATOM 0 HA VAL A 12 12.196 -2.299 7.626 1.00 0.00 H new ATOM 0 HB VAL A 12 12.761 -4.122 9.053 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.710 -6.230 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.025 -5.995 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.357 -5.700 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.182 -4.287 8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.911 -3.647 6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.573 -2.629 8.381 1.00 0.00 H new ATOM 139 N GLY A 13 12.710 -1.888 5.282 1.00 0.00 N ATOM 140 CA GLY A 13 13.151 -1.591 3.929 1.00 0.00 C ATOM 141 C GLY A 13 13.268 -0.082 3.710 1.00 0.00 C ATOM 142 O GLY A 13 12.602 0.701 4.385 1.00 0.00 O ATOM 0 H GLY A 13 12.442 -1.072 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.115 -2.065 3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.446 -2.013 3.212 1.00 0.00 H new ATOM 146 N PRO A 14 14.142 0.292 2.737 1.00 0.00 N ATOM 147 CA PRO A 14 14.355 1.694 2.420 1.00 0.00 C ATOM 148 C PRO A 14 13.177 2.262 1.627 1.00 0.00 C ATOM 149 O PRO A 14 13.115 3.464 1.376 1.00 0.00 O ATOM 150 CB PRO A 14 15.663 1.728 1.647 1.00 0.00 C ATOM 151 CG PRO A 14 15.896 0.307 1.158 1.00 0.00 C ATOM 152 CD PRO A 14 14.948 -0.607 1.917 1.00 0.00 C ATOM 0 HA PRO A 14 14.417 2.322 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.604 2.424 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.483 2.062 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.716 0.238 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.931 0.010 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.325 -1.186 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.495 -1.321 2.533 1.00 0.00 H new ATOM 160 N ALA A 15 12.271 1.369 1.254 1.00 0.00 N ATOM 161 CA ALA A 15 11.098 1.766 0.494 1.00 0.00 C ATOM 162 C ALA A 15 10.495 0.535 -0.185 1.00 0.00 C ATOM 163 O ALA A 15 9.292 0.295 -0.088 1.00 0.00 O ATOM 164 CB ALA A 15 11.484 2.855 -0.509 1.00 0.00 C ATOM 0 H ALA A 15 12.326 0.372 1.464 1.00 0.00 H new ATOM 0 HA ALA A 15 10.337 2.185 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.604 3.153 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.879 3.719 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.244 2.470 -1.189 1.00 0.00 H new ATOM 170 N PRO A 16 11.380 -0.232 -0.875 1.00 0.00 N ATOM 171 CA PRO A 16 10.948 -1.433 -1.570 1.00 0.00 C ATOM 172 C PRO A 16 10.678 -2.570 -0.584 1.00 0.00 C ATOM 173 O PRO A 16 11.517 -3.451 -0.402 1.00 0.00 O ATOM 174 CB PRO A 16 12.069 -1.747 -2.547 1.00 0.00 C ATOM 175 CG PRO A 16 13.286 -0.989 -2.043 1.00 0.00 C ATOM 176 CD PRO A 16 12.811 0.021 -1.012 1.00 0.00 C ATOM 0 HA PRO A 16 10.004 -1.297 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.265 -2.819 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.805 -1.435 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.007 -1.676 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.790 -0.485 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.329 -0.110 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.003 1.042 -1.341 1.00 0.00 H new ATOM 184 N TRP A 17 9.503 -2.515 0.028 1.00 0.00 N ATOM 185 CA TRP A 17 9.112 -3.529 0.991 1.00 0.00 C ATOM 186 C TRP A 17 8.721 -4.790 0.217 1.00 0.00 C ATOM 187 O TRP A 17 8.745 -5.891 0.765 1.00 0.00 O ATOM 188 CB TRP A 17 7.996 -3.018 1.904 1.00 0.00 C ATOM 189 CG TRP A 17 8.069 -1.518 2.195 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.540 -0.512 1.485 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.733 -0.891 3.313 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.814 0.712 2.059 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.563 0.475 3.206 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.455 -1.458 4.378 1.00 0.00 C ATOM 195 CZ2 TRP A 17 9.084 1.387 4.132 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.969 -0.533 5.294 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.806 0.844 5.201 1.00 0.00 C ATOM 0 H TRP A 17 8.809 -1.783 -0.125 1.00 0.00 H new ATOM 0 HA TRP A 17 9.942 -3.771 1.655 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.033 -3.242 1.445 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.034 -3.563 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.970 -0.643 0.577 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.521 1.623 1.707 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.601 -2.523 4.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.937 2.452 4.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.532 -0.916 6.132 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.235 1.493 5.951 1.00 0.00 H new ATOM 208 N GLY A 18 8.371 -4.587 -1.044 1.00 0.00 N ATOM 209 CA GLY A 18 7.976 -5.694 -1.898 1.00 0.00 C ATOM 210 C GLY A 18 6.470 -5.669 -2.166 1.00 0.00 C ATOM 211 O GLY A 18 5.984 -6.353 -3.066 1.00 0.00 O ATOM 0 H GLY A 18 8.353 -3.672 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.518 -5.641 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.249 -6.638 -1.426 1.00 0.00 H new ATOM 215 N PHE A 19 5.772 -4.873 -1.369 1.00 0.00 N ATOM 216 CA PHE A 19 4.331 -4.750 -1.509 1.00 0.00 C ATOM 217 C PHE A 19 3.954 -3.407 -2.139 1.00 0.00 C ATOM 218 O PHE A 19 4.731 -2.454 -2.089 1.00 0.00 O ATOM 219 CB PHE A 19 3.737 -4.823 -0.101 1.00 0.00 C ATOM 220 CG PHE A 19 3.755 -3.492 0.652 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.901 -2.496 0.293 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.625 -3.304 1.681 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.918 -1.260 0.993 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.641 -2.068 2.380 1.00 0.00 C ATOM 225 CZ PHE A 19 3.787 -1.073 2.021 1.00 0.00 C ATOM 0 H PHE A 19 6.178 -4.307 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 19 3.951 -5.543 -2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.708 -5.176 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.290 -5.563 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.210 -2.645 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.303 -4.095 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.240 -0.469 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.332 -1.918 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.799 -0.133 2.553 1.00 0.00 H new ATOM 235 N ARG A 20 2.763 -3.375 -2.718 1.00 0.00 N ATOM 236 CA ARG A 20 2.273 -2.165 -3.357 1.00 0.00 C ATOM 237 C ARG A 20 0.876 -1.820 -2.839 1.00 0.00 C ATOM 238 O ARG A 20 0.238 -2.633 -2.173 1.00 0.00 O ATOM 239 CB ARG A 20 2.221 -2.328 -4.877 1.00 0.00 C ATOM 240 CG ARG A 20 3.592 -2.068 -5.504 1.00 0.00 C ATOM 241 CD ARG A 20 3.541 -0.872 -6.456 1.00 0.00 C ATOM 242 NE ARG A 20 4.676 0.039 -6.185 1.00 0.00 N ATOM 243 CZ ARG A 20 4.690 0.950 -5.203 1.00 0.00 C ATOM 244 NH1 ARG A 20 3.632 1.077 -4.391 1.00 0.00 N ATOM 245 NH2 ARG A 20 5.764 1.733 -5.031 1.00 0.00 N ATOM 0 H ARG A 20 2.122 -4.168 -2.758 1.00 0.00 H new ATOM 0 HA ARG A 20 2.964 -1.358 -3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.888 -3.335 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.489 -1.637 -5.295 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.325 -1.882 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.922 -2.955 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.580 -1.217 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.598 -0.339 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 20 5.499 -0.031 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.815 0.480 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.643 1.771 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.570 1.635 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.775 2.427 -4.283 1.00 0.00 H new ATOM 259 N LEU A 21 0.441 -0.611 -3.165 1.00 0.00 N ATOM 260 CA LEU A 21 -0.869 -0.147 -2.741 1.00 0.00 C ATOM 261 C LEU A 21 -1.704 0.205 -3.974 1.00 0.00 C ATOM 262 O LEU A 21 -1.161 0.399 -5.060 1.00 0.00 O ATOM 263 CB LEU A 21 -0.733 1.003 -1.741 1.00 0.00 C ATOM 264 CG LEU A 21 -0.191 0.630 -0.360 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.341 1.795 0.621 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.852 -0.648 0.162 1.00 0.00 C ATOM 0 H LEU A 21 0.973 0.061 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.400 -0.938 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.079 1.759 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.712 1.464 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 21 0.875 0.425 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.052 1.503 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.213 2.657 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.395 2.055 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.449 -0.891 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.929 -0.496 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.650 -1.469 -0.526 1.00 0.00 H new ATOM 278 N GLN A 22 -3.010 0.276 -3.763 1.00 0.00 N ATOM 279 CA GLN A 22 -3.925 0.602 -4.844 1.00 0.00 C ATOM 280 C GLN A 22 -5.243 1.138 -4.280 1.00 0.00 C ATOM 281 O GLN A 22 -5.671 0.732 -3.201 1.00 0.00 O ATOM 282 CB GLN A 22 -4.167 -0.613 -5.743 1.00 0.00 C ATOM 283 CG GLN A 22 -4.655 -1.810 -4.926 1.00 0.00 C ATOM 284 CD GLN A 22 -5.278 -2.875 -5.832 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.572 -2.643 -6.993 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.461 -4.051 -5.238 1.00 0.00 N ATOM 0 H GLN A 22 -3.456 0.114 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.471 1.381 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.904 -0.364 -6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.245 -0.874 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.821 -2.241 -4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.388 -1.478 -4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.192 -4.177 -4.262 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.870 -4.827 -5.758 1.00 0.00 H new ATOM 295 N GLY A 23 -5.849 2.041 -5.036 1.00 0.00 N ATOM 296 CA GLY A 23 -7.109 2.637 -4.626 1.00 0.00 C ATOM 297 C GLY A 23 -6.884 4.007 -3.982 1.00 0.00 C ATOM 298 O GLY A 23 -5.820 4.603 -4.139 1.00 0.00 O ATOM 0 H GLY A 23 -5.491 2.375 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.765 2.741 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.614 1.978 -3.920 1.00 0.00 H new ATOM 302 N GLY A 24 -7.905 4.466 -3.272 1.00 0.00 N ATOM 303 CA GLY A 24 -7.832 5.755 -2.605 1.00 0.00 C ATOM 304 C GLY A 24 -9.098 6.575 -2.857 1.00 0.00 C ATOM 305 O GLY A 24 -10.008 6.122 -3.549 1.00 0.00 O ATOM 0 H GLY A 24 -8.786 3.969 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.698 5.607 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.961 6.305 -2.962 1.00 0.00 H new ATOM 309 N LYS A 25 -9.116 7.769 -2.282 1.00 0.00 N ATOM 310 CA LYS A 25 -10.256 8.657 -2.436 1.00 0.00 C ATOM 311 C LYS A 25 -10.351 9.109 -3.894 1.00 0.00 C ATOM 312 O LYS A 25 -11.435 9.118 -4.476 1.00 0.00 O ATOM 313 CB LYS A 25 -10.172 9.813 -1.438 1.00 0.00 C ATOM 314 CG LYS A 25 -11.463 9.930 -0.624 1.00 0.00 C ATOM 315 CD LYS A 25 -11.182 10.490 0.771 1.00 0.00 C ATOM 316 CE LYS A 25 -11.532 11.978 0.845 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.632 12.205 1.809 1.00 0.00 N ATOM 0 H LYS A 25 -8.359 8.142 -1.709 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.183 8.132 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.327 9.658 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.988 10.746 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.168 10.578 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.933 8.950 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.762 9.939 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.130 10.347 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.654 12.550 1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.825 12.338 -0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.857 13.220 1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.474 11.675 1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.339 11.880 2.753 1.00 0.00 H new ATOM 331 N ASP A 26 -9.202 9.473 -4.444 1.00 0.00 N ATOM 332 CA ASP A 26 -9.142 9.925 -5.824 1.00 0.00 C ATOM 333 C ASP A 26 -9.432 8.746 -6.755 1.00 0.00 C ATOM 334 O ASP A 26 -9.703 8.938 -7.940 1.00 0.00 O ATOM 335 CB ASP A 26 -7.753 10.468 -6.166 1.00 0.00 C ATOM 336 CG ASP A 26 -7.431 10.522 -7.661 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.191 9.435 -8.230 1.00 0.00 O ATOM 338 OD2 ASP A 26 -7.431 11.649 -8.201 1.00 0.00 O ATOM 0 H ASP A 26 -8.305 9.464 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.880 10.717 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.660 11.472 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.005 9.849 -5.670 1.00 0.00 H new ATOM 343 N PHE A 27 -9.366 7.552 -6.185 1.00 0.00 N ATOM 344 CA PHE A 27 -9.618 6.343 -6.949 1.00 0.00 C ATOM 345 C PHE A 27 -11.059 5.864 -6.758 1.00 0.00 C ATOM 346 O PHE A 27 -11.606 5.173 -7.616 1.00 0.00 O ATOM 347 CB PHE A 27 -8.663 5.271 -6.419 1.00 0.00 C ATOM 348 CG PHE A 27 -7.215 5.446 -6.880 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.558 6.611 -6.634 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.584 4.436 -7.537 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.214 6.773 -7.062 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.240 4.598 -7.965 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.583 5.763 -7.719 1.00 0.00 C ATOM 0 H PHE A 27 -9.141 7.396 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.465 6.536 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.690 5.281 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.019 4.292 -6.738 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.059 7.413 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.105 3.511 -7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.693 7.698 -6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.739 3.796 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.561 5.886 -8.045 1.00 0.00 H new ATOM 363 N ASN A 28 -11.632 6.250 -5.628 1.00 0.00 N ATOM 364 CA ASN A 28 -12.999 5.869 -5.314 1.00 0.00 C ATOM 365 C ASN A 28 -13.021 4.418 -4.831 1.00 0.00 C ATOM 366 O ASN A 28 -13.856 3.627 -5.266 1.00 0.00 O ATOM 367 CB ASN A 28 -13.897 5.969 -6.549 1.00 0.00 C ATOM 368 CG ASN A 28 -15.289 6.483 -6.175 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.051 5.833 -5.478 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.576 7.681 -6.675 1.00 0.00 N ATOM 0 H ASN A 28 -11.175 6.823 -4.918 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.369 6.546 -4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.443 6.638 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.982 4.990 -7.022 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.481 8.111 -6.482 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.891 8.170 -7.251 1.00 0.00 H new ATOM 377 N MET A 29 -12.092 4.111 -3.937 1.00 0.00 N ATOM 378 CA MET A 29 -11.994 2.769 -3.390 1.00 0.00 C ATOM 379 C MET A 29 -11.067 2.739 -2.173 1.00 0.00 C ATOM 380 O MET A 29 -10.321 3.688 -1.933 1.00 0.00 O ATOM 381 CB MET A 29 -11.459 1.818 -4.462 1.00 0.00 C ATOM 382 CG MET A 29 -9.931 1.745 -4.417 1.00 0.00 C ATOM 383 SD MET A 29 -9.332 0.690 -5.727 1.00 0.00 S ATOM 384 CE MET A 29 -8.643 -0.643 -4.761 1.00 0.00 C ATOM 0 H MET A 29 -11.400 4.769 -3.578 1.00 0.00 H new ATOM 0 HA MET A 29 -12.988 2.453 -3.074 1.00 0.00 H new ATOM 0 HB2 MET A 29 -11.879 0.823 -4.313 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.782 2.156 -5.447 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.508 2.744 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.605 1.360 -3.451 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.466 -1.505 -5.404 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.700 -0.322 -4.318 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.341 -0.918 -3.970 1.00 0.00 H new ATOM 394 N PRO A 30 -11.146 1.612 -1.417 1.00 0.00 N ATOM 395 CA PRO A 30 -10.324 1.446 -0.231 1.00 0.00 C ATOM 396 C PRO A 30 -8.875 1.132 -0.608 1.00 0.00 C ATOM 397 O PRO A 30 -8.614 0.572 -1.671 1.00 0.00 O ATOM 398 CB PRO A 30 -10.988 0.328 0.556 1.00 0.00 C ATOM 399 CG PRO A 30 -11.882 -0.403 -0.432 1.00 0.00 C ATOM 400 CD PRO A 30 -12.019 0.469 -1.670 1.00 0.00 C ATOM 0 HA PRO A 30 -10.263 2.354 0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.244 -0.345 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.569 0.727 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.452 -1.370 -0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.860 -0.597 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.717 -0.069 -2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.051 0.785 -1.820 1.00 0.00 H new ATOM 408 N LEU A 31 -7.970 1.507 0.285 1.00 0.00 N ATOM 409 CA LEU A 31 -6.554 1.273 0.059 1.00 0.00 C ATOM 410 C LEU A 31 -6.243 -0.207 0.291 1.00 0.00 C ATOM 411 O LEU A 31 -6.276 -0.682 1.425 1.00 0.00 O ATOM 412 CB LEU A 31 -5.711 2.220 0.915 1.00 0.00 C ATOM 413 CG LEU A 31 -5.598 3.659 0.410 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.631 4.653 1.573 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.352 3.839 -0.460 1.00 0.00 C ATOM 0 H LEU A 31 -8.190 1.971 1.166 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.291 1.496 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.132 2.241 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.706 1.805 0.998 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.464 3.868 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.549 5.669 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.570 4.546 2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.798 4.453 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.296 4.871 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.463 3.603 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.409 3.171 -1.319 1.00 0.00 H new ATOM 427 N THR A 32 -5.949 -0.896 -0.803 1.00 0.00 N ATOM 428 CA THR A 32 -5.632 -2.312 -0.733 1.00 0.00 C ATOM 429 C THR A 32 -4.206 -2.565 -1.225 1.00 0.00 C ATOM 430 O THR A 32 -3.580 -1.679 -1.805 1.00 0.00 O ATOM 431 CB THR A 32 -6.694 -3.073 -1.529 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.242 -2.092 -2.405 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.880 -3.503 -0.662 1.00 0.00 C ATOM 0 H THR A 32 -5.924 -0.499 -1.742 1.00 0.00 H new ATOM 0 HA THR A 32 -5.655 -2.672 0.295 1.00 0.00 H new ATOM 0 HB THR A 32 -6.242 -3.952 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.040 -2.454 -2.844 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.604 -4.039 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.529 -4.155 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.353 -2.621 -0.229 1.00 0.00 H new ATOM 441 N ILE A 33 -3.734 -3.778 -0.976 1.00 0.00 N ATOM 442 CA ILE A 33 -2.394 -4.158 -1.387 1.00 0.00 C ATOM 443 C ILE A 33 -2.395 -4.477 -2.883 1.00 0.00 C ATOM 444 O ILE A 33 -2.843 -5.546 -3.293 1.00 0.00 O ATOM 445 CB ILE A 33 -1.870 -5.301 -0.515 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.901 -4.919 0.966 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.475 -5.740 -0.965 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.798 -3.912 1.296 1.00 0.00 C ATOM 0 H ILE A 33 -4.256 -4.510 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.701 -3.330 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.532 -6.157 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.873 -4.493 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.778 -5.812 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.127 -6.553 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.517 -6.081 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.214 -4.899 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.843 -3.657 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.174 -4.350 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.938 -3.010 0.700 1.00 0.00 H new ATOM 460 N SER A 34 -1.887 -3.529 -3.658 1.00 0.00 N ATOM 461 CA SER A 34 -1.824 -3.696 -5.100 1.00 0.00 C ATOM 462 C SER A 34 -1.244 -5.069 -5.443 1.00 0.00 C ATOM 463 O SER A 34 -1.916 -5.894 -6.061 1.00 0.00 O ATOM 464 CB SER A 34 -0.987 -2.590 -5.746 1.00 0.00 C ATOM 465 OG SER A 34 0.132 -3.113 -6.456 1.00 0.00 O ATOM 0 H SER A 34 -1.516 -2.643 -3.314 1.00 0.00 H new ATOM 0 HA SER A 34 -2.837 -3.627 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.612 -2.014 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.638 -1.902 -4.976 1.00 0.00 H new ATOM 0 HG SER A 34 0.449 -2.448 -7.103 1.00 0.00 H new ATOM 471 N SER A 35 -0.002 -5.273 -5.027 1.00 0.00 N ATOM 472 CA SER A 35 0.675 -6.532 -5.283 1.00 0.00 C ATOM 473 C SER A 35 1.701 -6.808 -4.181 1.00 0.00 C ATOM 474 O SER A 35 1.776 -6.071 -3.199 1.00 0.00 O ATOM 475 CB SER A 35 1.357 -6.523 -6.653 1.00 0.00 C ATOM 476 OG SER A 35 0.775 -7.469 -7.545 1.00 0.00 O ATOM 0 H SER A 35 0.552 -4.587 -4.515 1.00 0.00 H new ATOM 0 HA SER A 35 -0.071 -7.327 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.287 -5.525 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.417 -6.744 -6.532 1.00 0.00 H new ATOM 0 HG SER A 35 1.237 -7.431 -8.409 1.00 0.00 H new ATOM 482 N LEU A 36 2.466 -7.871 -4.382 1.00 0.00 N ATOM 483 CA LEU A 36 3.484 -8.252 -3.418 1.00 0.00 C ATOM 484 C LEU A 36 4.557 -9.087 -4.119 1.00 0.00 C ATOM 485 O LEU A 36 4.308 -9.662 -5.178 1.00 0.00 O ATOM 486 CB LEU A 36 2.848 -8.953 -2.216 1.00 0.00 C ATOM 487 CG LEU A 36 3.087 -8.298 -0.854 1.00 0.00 C ATOM 488 CD1 LEU A 36 2.057 -8.775 0.172 1.00 0.00 C ATOM 489 CD2 LEU A 36 4.521 -8.532 -0.377 1.00 0.00 C ATOM 0 H LEU A 36 2.401 -8.480 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 36 3.979 -7.367 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.773 -9.015 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.224 -9.975 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 36 2.956 -7.222 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.249 -8.294 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.055 -8.515 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.131 -9.856 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.664 -8.056 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.704 -9.603 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.218 -8.104 -1.097 1.00 0.00 H new ATOM 501 N LYS A 37 5.729 -9.127 -3.501 1.00 0.00 N ATOM 502 CA LYS A 37 6.841 -9.882 -4.053 1.00 0.00 C ATOM 503 C LYS A 37 6.876 -11.271 -3.414 1.00 0.00 C ATOM 504 O LYS A 37 6.517 -11.431 -2.248 1.00 0.00 O ATOM 505 CB LYS A 37 8.148 -9.101 -3.899 1.00 0.00 C ATOM 506 CG LYS A 37 9.322 -9.871 -4.506 1.00 0.00 C ATOM 507 CD LYS A 37 10.417 -8.915 -4.983 1.00 0.00 C ATOM 508 CE LYS A 37 11.561 -9.682 -5.651 1.00 0.00 C ATOM 509 NZ LYS A 37 12.641 -8.753 -6.054 1.00 0.00 N ATOM 0 H LYS A 37 5.932 -8.649 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 37 6.708 -10.027 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.055 -8.130 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.340 -8.911 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.732 -10.559 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.972 -10.475 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.996 -8.196 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.801 -8.345 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.955 -10.431 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.188 -10.216 -6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.409 -9.289 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.265 -8.054 -6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.008 -8.262 -5.214 1.00 0.00 H new ATOM 523 N ASP A 38 7.312 -12.241 -4.204 1.00 0.00 N ATOM 524 CA ASP A 38 7.399 -13.611 -3.730 1.00 0.00 C ATOM 525 C ASP A 38 8.179 -13.642 -2.414 1.00 0.00 C ATOM 526 O ASP A 38 9.354 -13.281 -2.376 1.00 0.00 O ATOM 527 CB ASP A 38 8.135 -14.497 -4.736 1.00 0.00 C ATOM 528 CG ASP A 38 9.525 -14.000 -5.140 1.00 0.00 C ATOM 529 OD1 ASP A 38 9.576 -13.097 -6.003 1.00 0.00 O ATOM 530 OD2 ASP A 38 10.504 -14.535 -4.578 1.00 0.00 O ATOM 0 H ASP A 38 7.609 -12.105 -5.170 1.00 0.00 H new ATOM 0 HA ASP A 38 6.384 -13.986 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.232 -15.497 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.523 -14.588 -5.633 1.00 0.00 H new ATOM 535 N GLY A 39 7.493 -14.078 -1.367 1.00 0.00 N ATOM 536 CA GLY A 39 8.107 -14.161 -0.052 1.00 0.00 C ATOM 537 C GLY A 39 8.800 -12.847 0.313 1.00 0.00 C ATOM 538 O GLY A 39 9.897 -12.853 0.871 1.00 0.00 O ATOM 0 H GLY A 39 6.519 -14.377 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.347 -14.395 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.831 -14.975 -0.036 1.00 0.00 H new ATOM 542 N GLY A 40 8.133 -11.751 -0.016 1.00 0.00 N ATOM 543 CA GLY A 40 8.671 -10.432 0.270 1.00 0.00 C ATOM 544 C GLY A 40 8.604 -10.126 1.768 1.00 0.00 C ATOM 545 O GLY A 40 8.764 -11.021 2.596 1.00 0.00 O ATOM 0 H GLY A 40 7.224 -11.749 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.705 -10.375 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.111 -9.679 -0.284 1.00 0.00 H new ATOM 549 N LYS A 41 8.367 -8.858 2.070 1.00 0.00 N ATOM 550 CA LYS A 41 8.277 -8.422 3.453 1.00 0.00 C ATOM 551 C LYS A 41 6.845 -8.624 3.954 1.00 0.00 C ATOM 552 O LYS A 41 6.610 -9.407 4.873 1.00 0.00 O ATOM 553 CB LYS A 41 8.782 -6.985 3.596 1.00 0.00 C ATOM 554 CG LYS A 41 10.299 -6.916 3.408 1.00 0.00 C ATOM 555 CD LYS A 41 10.989 -6.443 4.689 1.00 0.00 C ATOM 556 CE LYS A 41 11.115 -7.587 5.698 1.00 0.00 C ATOM 557 NZ LYS A 41 10.051 -7.493 6.722 1.00 0.00 N ATOM 0 H LYS A 41 8.235 -8.118 1.380 1.00 0.00 H new ATOM 0 HA LYS A 41 8.925 -9.027 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.291 -6.348 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.516 -6.598 4.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.679 -7.898 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.537 -6.236 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.978 -6.053 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.421 -5.624 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.048 -8.545 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.093 -7.551 6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.477 -7.529 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.537 -6.596 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.390 -8.288 6.610 1.00 0.00 H new ATOM 571 N ALA A 42 5.926 -7.903 3.328 1.00 0.00 N ATOM 572 CA ALA A 42 4.524 -7.993 3.700 1.00 0.00 C ATOM 573 C ALA A 42 4.132 -9.465 3.842 1.00 0.00 C ATOM 574 O ALA A 42 3.424 -9.835 4.778 1.00 0.00 O ATOM 575 CB ALA A 42 3.673 -7.261 2.660 1.00 0.00 C ATOM 0 H ALA A 42 6.125 -7.254 2.566 1.00 0.00 H new ATOM 0 HA ALA A 42 4.350 -7.511 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.621 -7.328 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.971 -6.213 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.820 -7.719 1.682 1.00 0.00 H new ATOM 581 N SER A 43 4.610 -10.266 2.901 1.00 0.00 N ATOM 582 CA SER A 43 4.318 -11.689 2.910 1.00 0.00 C ATOM 583 C SER A 43 4.889 -12.332 4.176 1.00 0.00 C ATOM 584 O SER A 43 4.239 -13.171 4.798 1.00 0.00 O ATOM 585 CB SER A 43 4.883 -12.375 1.665 1.00 0.00 C ATOM 586 OG SER A 43 4.538 -13.757 1.613 1.00 0.00 O ATOM 0 H SER A 43 5.198 -9.956 2.127 1.00 0.00 H new ATOM 0 HA SER A 43 3.235 -11.816 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.507 -11.874 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.968 -12.272 1.655 1.00 0.00 H new ATOM 0 HG SER A 43 4.916 -14.158 0.803 1.00 0.00 H new ATOM 592 N GLN A 44 6.099 -11.914 4.519 1.00 0.00 N ATOM 593 CA GLN A 44 6.765 -12.439 5.699 1.00 0.00 C ATOM 594 C GLN A 44 5.973 -12.081 6.958 1.00 0.00 C ATOM 595 O GLN A 44 6.074 -12.766 7.975 1.00 0.00 O ATOM 596 CB GLN A 44 8.203 -11.926 5.791 1.00 0.00 C ATOM 597 CG GLN A 44 9.167 -12.861 5.058 1.00 0.00 C ATOM 598 CD GLN A 44 10.618 -12.558 5.436 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.229 -13.233 6.249 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.135 -11.509 4.803 1.00 0.00 N ATOM 0 H GLN A 44 6.635 -11.218 4.001 1.00 0.00 H new ATOM 0 HA GLN A 44 6.807 -13.525 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.264 -10.926 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.497 -11.843 6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.932 -13.897 5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.037 -12.751 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.569 -10.987 4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.098 -11.226 4.986 1.00 0.00 H new ATOM 609 N ALA A 45 5.204 -11.008 6.850 1.00 0.00 N ATOM 610 CA ALA A 45 4.395 -10.551 7.967 1.00 0.00 C ATOM 611 C ALA A 45 3.032 -11.243 7.922 1.00 0.00 C ATOM 612 O ALA A 45 2.132 -10.901 8.688 1.00 0.00 O ATOM 613 CB ALA A 45 4.277 -9.026 7.921 1.00 0.00 C ATOM 0 H ALA A 45 5.124 -10.441 6.006 1.00 0.00 H new ATOM 0 HA ALA A 45 4.866 -10.814 8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.670 -8.683 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.270 -8.582 7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.806 -8.726 6.985 1.00 0.00 H new ATOM 619 N HIS A 46 2.922 -12.204 7.017 1.00 0.00 N ATOM 620 CA HIS A 46 1.683 -12.948 6.862 1.00 0.00 C ATOM 621 C HIS A 46 0.591 -12.020 6.325 1.00 0.00 C ATOM 622 O HIS A 46 -0.535 -12.030 6.819 1.00 0.00 O ATOM 623 CB HIS A 46 1.290 -13.629 8.174 1.00 0.00 C ATOM 624 CG HIS A 46 2.292 -14.648 8.662 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.997 -15.995 8.775 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.588 -14.502 9.063 1.00 0.00 C ATOM 627 CE1 HIS A 46 3.074 -16.622 9.226 1.00 0.00 C ATOM 628 NE2 HIS A 46 4.058 -15.695 9.405 1.00 0.00 N ATOM 0 H HIS A 46 3.670 -12.485 6.383 1.00 0.00 H new ATOM 0 HA HIS A 46 1.823 -13.747 6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.159 -12.867 8.942 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.325 -14.118 8.043 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.138 -13.573 9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.158 -17.681 9.418 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.000 -15.887 9.746 1.00 0.00 H new ATOM 636 N VAL A 47 0.963 -11.240 5.321 1.00 0.00 N ATOM 637 CA VAL A 47 0.030 -10.308 4.712 1.00 0.00 C ATOM 638 C VAL A 47 -0.360 -10.818 3.323 1.00 0.00 C ATOM 639 O VAL A 47 0.484 -10.910 2.432 1.00 0.00 O ATOM 640 CB VAL A 47 0.636 -8.903 4.685 1.00 0.00 C ATOM 641 CG1 VAL A 47 -0.326 -7.904 4.039 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.034 -8.450 6.091 1.00 0.00 C ATOM 0 H VAL A 47 1.898 -11.234 4.914 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.884 -10.242 5.302 1.00 0.00 H new ATOM 0 HB VAL A 47 1.540 -8.940 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.129 -6.913 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.538 -8.213 3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.255 -7.873 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.462 -7.449 6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.153 -8.438 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.771 -9.140 6.501 1.00 0.00 H new ATOM 652 N ARG A 48 -1.638 -11.135 3.182 1.00 0.00 N ATOM 653 CA ARG A 48 -2.150 -11.633 1.916 1.00 0.00 C ATOM 654 C ARG A 48 -2.821 -10.503 1.133 1.00 0.00 C ATOM 655 O ARG A 48 -3.571 -9.710 1.701 1.00 0.00 O ATOM 656 CB ARG A 48 -3.160 -12.762 2.136 1.00 0.00 C ATOM 657 CG ARG A 48 -2.461 -14.123 2.173 1.00 0.00 C ATOM 658 CD ARG A 48 -2.867 -14.914 3.418 1.00 0.00 C ATOM 659 NE ARG A 48 -2.329 -14.259 4.632 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.580 -14.671 5.882 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.361 -15.740 6.091 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.048 -14.016 6.923 1.00 0.00 N ATOM 0 H ARG A 48 -2.335 -11.057 3.923 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.306 -12.022 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.696 -12.599 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.902 -12.752 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.715 -14.691 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.380 -13.981 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.953 -14.978 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.491 -15.935 3.349 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.730 -13.443 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.764 -16.240 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.552 -16.054 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.452 -13.204 6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.239 -14.330 7.875 1.00 0.00 H new ATOM 676 N ILE A 49 -2.528 -10.465 -0.158 1.00 0.00 N ATOM 677 CA ILE A 49 -3.094 -9.445 -1.024 1.00 0.00 C ATOM 678 C ILE A 49 -4.565 -9.233 -0.663 1.00 0.00 C ATOM 679 O ILE A 49 -5.277 -10.190 -0.358 1.00 0.00 O ATOM 680 CB ILE A 49 -2.867 -9.805 -2.494 1.00 0.00 C ATOM 681 CG1 ILE A 49 -1.390 -9.672 -2.870 1.00 0.00 C ATOM 682 CG2 ILE A 49 -3.769 -8.971 -3.408 1.00 0.00 C ATOM 683 CD1 ILE A 49 -0.872 -8.265 -2.567 1.00 0.00 C ATOM 0 H ILE A 49 -1.906 -11.124 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.588 -8.492 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.142 -10.850 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.803 -10.406 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.260 -9.891 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.588 -9.246 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.813 -9.160 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.549 -7.913 -3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.180 -8.197 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.445 -7.535 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.981 -8.058 -1.502 1.00 0.00 H new ATOM 695 N GLY A 50 -4.977 -7.975 -0.708 1.00 0.00 N ATOM 696 CA GLY A 50 -6.351 -7.626 -0.388 1.00 0.00 C ATOM 697 C GLY A 50 -6.432 -6.879 0.945 1.00 0.00 C ATOM 698 O GLY A 50 -7.463 -6.293 1.271 1.00 0.00 O ATOM 0 H GLY A 50 -4.384 -7.185 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.767 -7.006 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.958 -8.530 -0.339 1.00 0.00 H new ATOM 702 N ASP A 51 -5.330 -6.925 1.679 1.00 0.00 N ATOM 703 CA ASP A 51 -5.263 -6.261 2.970 1.00 0.00 C ATOM 704 C ASP A 51 -5.654 -4.791 2.802 1.00 0.00 C ATOM 705 O ASP A 51 -5.305 -4.161 1.805 1.00 0.00 O ATOM 706 CB ASP A 51 -3.845 -6.310 3.541 1.00 0.00 C ATOM 707 CG ASP A 51 -3.316 -4.977 4.076 1.00 0.00 C ATOM 708 OD1 ASP A 51 -3.953 -4.450 5.014 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.288 -4.516 3.536 1.00 0.00 O ATOM 0 H ASP A 51 -4.477 -7.412 1.405 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.943 -6.774 3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.819 -7.043 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.169 -6.666 2.764 1.00 0.00 H new ATOM 714 N VAL A 52 -6.375 -4.287 3.794 1.00 0.00 N ATOM 715 CA VAL A 52 -6.818 -2.904 3.769 1.00 0.00 C ATOM 716 C VAL A 52 -6.034 -2.103 4.810 1.00 0.00 C ATOM 717 O VAL A 52 -6.116 -2.384 6.005 1.00 0.00 O ATOM 718 CB VAL A 52 -8.332 -2.835 3.977 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.796 -1.388 4.152 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.076 -3.514 2.825 1.00 0.00 C ATOM 0 H VAL A 52 -6.663 -4.812 4.620 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.617 -2.456 2.796 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.569 -3.376 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.876 -1.367 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.304 -0.951 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.539 -0.813 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.150 -3.451 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.829 -3.015 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.779 -4.561 2.767 1.00 0.00 H new ATOM 730 N VAL A 53 -5.292 -1.121 4.320 1.00 0.00 N ATOM 731 CA VAL A 53 -4.494 -0.278 5.193 1.00 0.00 C ATOM 732 C VAL A 53 -5.418 0.664 5.968 1.00 0.00 C ATOM 733 O VAL A 53 -5.914 1.646 5.417 1.00 0.00 O ATOM 734 CB VAL A 53 -3.432 0.463 4.378 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.480 1.237 5.293 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.662 -0.502 3.476 1.00 0.00 C ATOM 0 H VAL A 53 -5.227 -0.890 3.329 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.959 -0.884 5.924 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.942 1.184 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.735 1.755 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.046 1.965 5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.980 0.543 5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.913 0.050 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.169 -1.257 4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.354 -0.988 2.788 1.00 0.00 H new ATOM 746 N LEU A 54 -5.620 0.333 7.235 1.00 0.00 N ATOM 747 CA LEU A 54 -6.476 1.137 8.092 1.00 0.00 C ATOM 748 C LEU A 54 -5.779 2.464 8.400 1.00 0.00 C ATOM 749 O LEU A 54 -6.421 3.512 8.440 1.00 0.00 O ATOM 750 CB LEU A 54 -6.877 0.349 9.340 1.00 0.00 C ATOM 751 CG LEU A 54 -7.809 -0.843 9.110 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.919 -1.704 10.370 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.179 -0.379 8.610 1.00 0.00 C ATOM 0 H LEU A 54 -5.206 -0.481 7.689 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.409 1.377 7.582 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.970 -0.013 9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.360 1.033 10.038 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.377 -1.469 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.587 -2.544 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.932 -2.079 10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.316 -1.103 11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.822 -1.245 8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.632 0.281 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.060 0.158 7.669 1.00 0.00 H new ATOM 765 N SER A 55 -4.473 2.375 8.610 1.00 0.00 N ATOM 766 CA SER A 55 -3.682 3.555 8.913 1.00 0.00 C ATOM 767 C SER A 55 -2.240 3.354 8.443 1.00 0.00 C ATOM 768 O SER A 55 -1.799 2.222 8.248 1.00 0.00 O ATOM 769 CB SER A 55 -3.713 3.870 10.410 1.00 0.00 C ATOM 770 OG SER A 55 -5.044 3.925 10.916 1.00 0.00 O ATOM 0 H SER A 55 -3.944 1.504 8.576 1.00 0.00 H new ATOM 0 HA SER A 55 -4.116 4.402 8.382 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.150 3.110 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.217 4.824 10.590 1.00 0.00 H new ATOM 0 HG SER A 55 -5.021 4.127 11.875 1.00 0.00 H new ATOM 776 N ILE A 56 -1.545 4.469 8.274 1.00 0.00 N ATOM 777 CA ILE A 56 -0.162 4.429 7.830 1.00 0.00 C ATOM 778 C ILE A 56 0.687 5.319 8.740 1.00 0.00 C ATOM 779 O ILE A 56 0.349 6.480 8.970 1.00 0.00 O ATOM 780 CB ILE A 56 -0.064 4.795 6.348 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.521 3.632 5.465 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.347 5.266 5.991 1.00 0.00 C ATOM 783 CD1 ILE A 56 -0.345 3.967 3.982 1.00 0.00 C ATOM 0 H ILE A 56 -1.914 5.406 8.437 1.00 0.00 H new ATOM 0 HA ILE A 56 0.235 3.417 7.912 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.739 5.629 6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.052 2.738 5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.568 3.406 5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.389 5.520 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.598 6.145 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.061 4.469 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.677 3.124 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.938 4.847 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.706 4.169 3.777 1.00 0.00 H new ATOM 795 N ASP A 57 1.772 4.742 9.234 1.00 0.00 N ATOM 796 CA ASP A 57 2.672 5.468 10.114 1.00 0.00 C ATOM 797 C ASP A 57 1.881 6.020 11.302 1.00 0.00 C ATOM 798 O ASP A 57 2.323 6.958 11.964 1.00 0.00 O ATOM 799 CB ASP A 57 3.319 6.649 9.387 1.00 0.00 C ATOM 800 CG ASP A 57 4.315 7.455 10.222 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.271 6.828 10.727 1.00 0.00 O ATOM 802 OD2 ASP A 57 4.098 8.681 10.338 1.00 0.00 O ATOM 0 H ASP A 57 2.049 3.779 9.042 1.00 0.00 H new ATOM 0 HA ASP A 57 3.449 4.779 10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.831 6.274 8.500 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.532 7.319 9.041 1.00 0.00 H new ATOM 807 N GLY A 58 0.727 5.414 11.536 1.00 0.00 N ATOM 808 CA GLY A 58 -0.129 5.833 12.633 1.00 0.00 C ATOM 809 C GLY A 58 -1.223 6.784 12.142 1.00 0.00 C ATOM 810 O GLY A 58 -2.083 7.199 12.917 1.00 0.00 O ATOM 0 H GLY A 58 0.364 4.636 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.584 4.959 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.470 6.326 13.399 1.00 0.00 H new ATOM 814 N ILE A 59 -1.154 7.101 10.858 1.00 0.00 N ATOM 815 CA ILE A 59 -2.128 7.995 10.255 1.00 0.00 C ATOM 816 C ILE A 59 -3.307 7.176 9.726 1.00 0.00 C ATOM 817 O ILE A 59 -3.120 6.247 8.942 1.00 0.00 O ATOM 818 CB ILE A 59 -1.463 8.873 9.192 1.00 0.00 C ATOM 819 CG1 ILE A 59 -0.110 9.394 9.680 1.00 0.00 C ATOM 820 CG2 ILE A 59 -2.393 10.009 8.760 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.290 10.534 10.684 1.00 0.00 C ATOM 0 H ILE A 59 -0.439 6.755 10.218 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.526 8.683 11.001 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.273 8.260 8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.451 8.582 10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.477 9.742 8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.897 10.618 8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.310 9.591 8.344 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.636 10.629 9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.687 10.885 11.015 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.829 11.354 10.210 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.856 10.176 11.544 1.00 0.00 H new ATOM 833 N SER A 60 -4.496 7.551 10.175 1.00 0.00 N ATOM 834 CA SER A 60 -5.705 6.863 9.757 1.00 0.00 C ATOM 835 C SER A 60 -5.949 7.094 8.264 1.00 0.00 C ATOM 836 O SER A 60 -6.080 8.234 7.822 1.00 0.00 O ATOM 837 CB SER A 60 -6.914 7.330 10.570 1.00 0.00 C ATOM 838 OG SER A 60 -7.460 6.281 11.365 1.00 0.00 O ATOM 0 H SER A 60 -4.647 8.323 10.824 1.00 0.00 H new ATOM 0 HA SER A 60 -5.570 5.796 9.936 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.619 8.158 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.681 7.709 9.894 1.00 0.00 H new ATOM 0 HG SER A 60 -8.229 6.619 11.870 1.00 0.00 H new ATOM 844 N ALA A 61 -6.002 5.993 7.529 1.00 0.00 N ATOM 845 CA ALA A 61 -6.227 6.061 6.095 1.00 0.00 C ATOM 846 C ALA A 61 -7.731 6.018 5.817 1.00 0.00 C ATOM 847 O ALA A 61 -8.178 5.326 4.903 1.00 0.00 O ATOM 848 CB ALA A 61 -5.474 4.922 5.405 1.00 0.00 C ATOM 0 H ALA A 61 -5.893 5.049 7.899 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.843 6.997 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.643 4.973 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.407 5.015 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.834 3.966 5.784 1.00 0.00 H new ATOM 854 N GLN A 62 -8.471 6.765 6.623 1.00 0.00 N ATOM 855 CA GLN A 62 -9.916 6.821 6.475 1.00 0.00 C ATOM 856 C GLN A 62 -10.298 7.809 5.371 1.00 0.00 C ATOM 857 O GLN A 62 -11.220 7.554 4.597 1.00 0.00 O ATOM 858 CB GLN A 62 -10.588 7.191 7.798 1.00 0.00 C ATOM 859 CG GLN A 62 -10.776 5.955 8.682 1.00 0.00 C ATOM 860 CD GLN A 62 -12.254 5.572 8.781 1.00 0.00 C ATOM 861 OE1 GLN A 62 -13.024 5.719 7.847 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.605 5.073 9.963 1.00 0.00 N ATOM 0 H GLN A 62 -8.097 7.337 7.381 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.272 5.831 6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.983 7.930 8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.556 7.653 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.207 5.120 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.380 6.152 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.909 4.977 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.570 4.787 10.130 1.00 0.00 H new ATOM 871 N GLY A 63 -9.571 8.916 5.333 1.00 0.00 N ATOM 872 CA GLY A 63 -9.823 9.943 4.336 1.00 0.00 C ATOM 873 C GLY A 63 -8.522 10.380 3.659 1.00 0.00 C ATOM 874 O GLY A 63 -8.267 11.574 3.508 1.00 0.00 O ATOM 0 H GLY A 63 -8.807 9.124 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.518 9.565 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.299 10.803 4.807 1.00 0.00 H new ATOM 878 N MET A 64 -7.734 9.389 3.268 1.00 0.00 N ATOM 879 CA MET A 64 -6.467 9.656 2.610 1.00 0.00 C ATOM 880 C MET A 64 -6.442 9.056 1.203 1.00 0.00 C ATOM 881 O MET A 64 -7.009 7.989 0.969 1.00 0.00 O ATOM 882 CB MET A 64 -5.326 9.062 3.438 1.00 0.00 C ATOM 883 CG MET A 64 -5.053 9.909 4.683 1.00 0.00 C ATOM 884 SD MET A 64 -3.298 10.183 4.862 1.00 0.00 S ATOM 885 CE MET A 64 -2.768 8.532 5.284 1.00 0.00 C ATOM 0 H MET A 64 -7.949 8.400 3.394 1.00 0.00 H new ATOM 0 HA MET A 64 -6.344 10.736 2.527 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.579 8.044 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.424 9.002 2.830 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.572 10.864 4.604 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.443 9.406 5.568 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.712 8.547 5.553 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.352 8.167 6.129 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.916 7.873 4.429 1.00 0.00 H new ATOM 895 N THR A 65 -5.780 9.767 0.302 1.00 0.00 N ATOM 896 CA THR A 65 -5.675 9.318 -1.076 1.00 0.00 C ATOM 897 C THR A 65 -4.370 8.547 -1.287 1.00 0.00 C ATOM 898 O THR A 65 -3.428 8.690 -0.509 1.00 0.00 O ATOM 899 CB THR A 65 -5.812 10.541 -1.984 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.683 11.346 -1.655 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.012 11.414 -1.613 1.00 0.00 C ATOM 0 H THR A 65 -5.311 10.651 0.499 1.00 0.00 H new ATOM 0 HA THR A 65 -6.473 8.619 -1.326 1.00 0.00 H new ATOM 0 HB THR A 65 -5.906 10.215 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.692 12.161 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.063 12.268 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.928 10.829 -1.698 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.901 11.768 -0.588 1.00 0.00 H new ATOM 909 N HIS A 66 -4.356 7.747 -2.343 1.00 0.00 N ATOM 910 CA HIS A 66 -3.183 6.954 -2.667 1.00 0.00 C ATOM 911 C HIS A 66 -1.924 7.806 -2.491 1.00 0.00 C ATOM 912 O HIS A 66 -0.998 7.413 -1.784 1.00 0.00 O ATOM 913 CB HIS A 66 -3.302 6.354 -4.069 1.00 0.00 C ATOM 914 CG HIS A 66 -2.624 5.014 -4.223 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.011 4.615 -5.398 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.468 3.987 -3.339 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.513 3.400 -5.218 1.00 0.00 C ATOM 918 NE2 HIS A 66 -1.797 3.013 -3.942 1.00 0.00 N ATOM 0 H HIS A 66 -5.139 7.631 -2.986 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.109 6.111 -1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.358 6.246 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.874 7.051 -4.789 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.952 5.163 -6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.829 3.969 -2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.976 2.819 -5.953 1.00 0.00 H new ATOM 926 N LEU A 67 -1.930 8.957 -3.148 1.00 0.00 N ATOM 927 CA LEU A 67 -0.800 9.867 -3.073 1.00 0.00 C ATOM 928 C LEU A 67 -0.409 10.069 -1.608 1.00 0.00 C ATOM 929 O LEU A 67 0.734 9.819 -1.227 1.00 0.00 O ATOM 930 CB LEU A 67 -1.113 11.171 -3.811 1.00 0.00 C ATOM 931 CG LEU A 67 -0.216 12.364 -3.474 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.258 12.023 -3.702 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.643 13.608 -4.255 1.00 0.00 C ATOM 0 H LEU A 67 -2.700 9.280 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 67 0.066 9.441 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.047 10.984 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.146 11.447 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.334 12.592 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.874 12.888 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.540 11.183 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.412 11.754 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.010 14.441 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.572 13.408 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.672 13.862 -4.001 1.00 0.00 H new ATOM 945 N GLU A 68 -1.379 10.518 -0.826 1.00 0.00 N ATOM 946 CA GLU A 68 -1.151 10.756 0.589 1.00 0.00 C ATOM 947 C GLU A 68 -0.495 9.533 1.234 1.00 0.00 C ATOM 948 O GLU A 68 0.639 9.609 1.705 1.00 0.00 O ATOM 949 CB GLU A 68 -2.455 11.118 1.302 1.00 0.00 C ATOM 950 CG GLU A 68 -2.899 12.538 0.945 1.00 0.00 C ATOM 951 CD GLU A 68 -3.224 13.345 2.204 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.274 13.941 2.756 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.414 13.347 2.585 1.00 0.00 O ATOM 0 H GLU A 68 -2.326 10.724 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.473 11.604 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.235 10.409 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.319 11.036 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.111 13.038 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.776 12.497 0.299 1.00 0.00 H new ATOM 960 N ALA A 69 -1.236 8.435 1.234 1.00 0.00 N ATOM 961 CA ALA A 69 -0.741 7.198 1.813 1.00 0.00 C ATOM 962 C ALA A 69 0.653 6.901 1.256 1.00 0.00 C ATOM 963 O ALA A 69 1.570 6.578 2.008 1.00 0.00 O ATOM 964 CB ALA A 69 -1.734 6.069 1.531 1.00 0.00 C ATOM 0 H ALA A 69 -2.176 8.376 0.842 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.651 7.290 2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.363 5.141 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.700 6.315 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.848 5.945 0.454 1.00 0.00 H new ATOM 970 N GLN A 70 0.768 7.022 -0.059 1.00 0.00 N ATOM 971 CA GLN A 70 2.034 6.771 -0.725 1.00 0.00 C ATOM 972 C GLN A 70 3.122 7.689 -0.162 1.00 0.00 C ATOM 973 O GLN A 70 4.247 7.251 0.074 1.00 0.00 O ATOM 974 CB GLN A 70 1.901 6.945 -2.240 1.00 0.00 C ATOM 975 CG GLN A 70 0.986 5.873 -2.836 1.00 0.00 C ATOM 976 CD GLN A 70 1.800 4.794 -3.554 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.826 4.335 -3.079 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.287 4.418 -4.722 1.00 0.00 N ATOM 0 H GLN A 70 0.005 7.291 -0.680 1.00 0.00 H new ATOM 0 HA GLN A 70 2.323 5.737 -0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.501 7.934 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.885 6.887 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.390 5.418 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.289 6.333 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.424 4.844 -5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.756 3.704 -5.279 1.00 0.00 H new ATOM 987 N ASN A 71 2.748 8.944 0.036 1.00 0.00 N ATOM 988 CA ASN A 71 3.677 9.927 0.567 1.00 0.00 C ATOM 989 C ASN A 71 4.282 9.399 1.869 1.00 0.00 C ATOM 990 O ASN A 71 5.502 9.363 2.021 1.00 0.00 O ATOM 991 CB ASN A 71 2.966 11.246 0.877 1.00 0.00 C ATOM 992 CG ASN A 71 3.515 12.381 0.010 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.711 12.535 -0.172 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.576 13.165 -0.511 1.00 0.00 N ATOM 0 H ASN A 71 1.814 9.303 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 71 4.449 10.101 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.896 11.136 0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.094 11.494 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.840 13.952 -1.104 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.592 12.979 -0.318 1.00 0.00 H new ATOM 1001 N LYS A 72 3.401 9.002 2.776 1.00 0.00 N ATOM 1002 CA LYS A 72 3.834 8.477 4.060 1.00 0.00 C ATOM 1003 C LYS A 72 4.851 7.357 3.832 1.00 0.00 C ATOM 1004 O LYS A 72 5.950 7.390 4.383 1.00 0.00 O ATOM 1005 CB LYS A 72 2.627 8.051 4.898 1.00 0.00 C ATOM 1006 CG LYS A 72 1.773 9.260 5.284 1.00 0.00 C ATOM 1007 CD LYS A 72 2.161 9.788 6.666 1.00 0.00 C ATOM 1008 CE LYS A 72 1.394 11.069 6.999 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.960 11.714 8.205 1.00 0.00 N ATOM 0 H LYS A 72 2.390 9.033 2.647 1.00 0.00 H new ATOM 0 HA LYS A 72 4.338 9.252 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.023 7.339 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.967 7.539 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.897 10.049 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.719 8.981 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.953 9.029 7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.233 9.983 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.441 11.758 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.342 10.837 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.235 12.311 8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.270 10.983 8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.774 12.302 7.934 1.00 0.00 H new ATOM 1023 N ILE A 73 4.448 6.391 3.019 1.00 0.00 N ATOM 1024 CA ILE A 73 5.310 5.263 2.712 1.00 0.00 C ATOM 1025 C ILE A 73 6.656 5.780 2.201 1.00 0.00 C ATOM 1026 O ILE A 73 7.686 5.136 2.393 1.00 0.00 O ATOM 1027 CB ILE A 73 4.613 4.304 1.745 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.374 3.679 2.391 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.586 3.242 1.229 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.213 3.613 1.397 1.00 0.00 C ATOM 0 H ILE A 73 3.536 6.367 2.564 1.00 0.00 H new ATOM 0 HA ILE A 73 5.512 4.682 3.612 1.00 0.00 H new ATOM 0 HB ILE A 73 4.273 4.877 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.611 2.676 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.079 4.264 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.065 2.573 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.410 3.727 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.977 2.668 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.345 3.165 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.963 4.620 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.503 3.007 0.539 1.00 0.00 H new ATOM 1042 N LYS A 74 6.604 6.939 1.560 1.00 0.00 N ATOM 1043 CA LYS A 74 7.807 7.550 1.020 1.00 0.00 C ATOM 1044 C LYS A 74 8.538 8.300 2.135 1.00 0.00 C ATOM 1045 O LYS A 74 9.749 8.501 2.063 1.00 0.00 O ATOM 1046 CB LYS A 74 7.468 8.424 -0.189 1.00 0.00 C ATOM 1047 CG LYS A 74 7.798 7.702 -1.498 1.00 0.00 C ATOM 1048 CD LYS A 74 6.940 8.233 -2.648 1.00 0.00 C ATOM 1049 CE LYS A 74 5.792 7.272 -2.964 1.00 0.00 C ATOM 1050 NZ LYS A 74 5.995 6.640 -4.287 1.00 0.00 N ATOM 0 H LYS A 74 5.748 7.471 1.403 1.00 0.00 H new ATOM 0 HA LYS A 74 8.489 6.785 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.409 8.683 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.026 9.359 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.853 7.836 -1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.631 6.631 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.538 9.211 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.559 8.370 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.730 6.504 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.845 7.811 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.207 5.991 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.032 7.376 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.889 6.109 -4.284 1.00 0.00 H new ATOM 1064 N ALA A 75 7.771 8.693 3.141 1.00 0.00 N ATOM 1065 CA ALA A 75 8.330 9.417 4.270 1.00 0.00 C ATOM 1066 C ALA A 75 8.954 8.421 5.250 1.00 0.00 C ATOM 1067 O ALA A 75 9.693 8.813 6.152 1.00 0.00 O ATOM 1068 CB ALA A 75 7.239 10.269 4.921 1.00 0.00 C ATOM 0 H ALA A 75 6.767 8.524 3.198 1.00 0.00 H new ATOM 0 HA ALA A 75 9.118 10.093 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.658 10.812 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.848 10.979 4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.432 9.624 5.268 1.00 0.00 H new ATOM 1106 N SER A 79 11.829 1.827 8.216 1.00 0.00 N ATOM 1107 CA SER A 79 10.801 0.865 8.574 1.00 0.00 C ATOM 1108 C SER A 79 9.417 1.437 8.262 1.00 0.00 C ATOM 1109 O SER A 79 9.256 2.650 8.140 1.00 0.00 O ATOM 1110 CB SER A 79 10.896 0.483 10.053 1.00 0.00 C ATOM 1111 OG SER A 79 11.292 1.585 10.865 1.00 0.00 O ATOM 0 HA SER A 79 10.956 -0.037 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.930 0.110 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.612 -0.331 10.172 1.00 0.00 H new ATOM 0 HG SER A 79 11.695 2.278 10.302 1.00 0.00 H new ATOM 1117 N LEU A 80 8.454 0.535 8.140 1.00 0.00 N ATOM 1118 CA LEU A 80 7.089 0.935 7.843 1.00 0.00 C ATOM 1119 C LEU A 80 6.160 0.418 8.944 1.00 0.00 C ATOM 1120 O LEU A 80 6.252 -0.741 9.345 1.00 0.00 O ATOM 1121 CB LEU A 80 6.690 0.479 6.438 1.00 0.00 C ATOM 1122 CG LEU A 80 5.572 1.278 5.765 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.952 2.754 5.641 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.198 0.666 4.414 1.00 0.00 C ATOM 0 H LEU A 80 8.592 -0.471 8.241 1.00 0.00 H new ATOM 0 HA LEU A 80 7.004 2.022 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.573 0.519 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.382 -0.565 6.490 1.00 0.00 H new ATOM 0 HG LEU A 80 4.686 1.226 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.140 3.299 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.129 3.169 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.858 2.847 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.401 1.253 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.070 0.667 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.856 -0.358 4.561 1.00 0.00 H new ATOM 1136 N ASN A 81 5.287 1.304 9.401 1.00 0.00 N ATOM 1137 CA ASN A 81 4.343 0.952 10.448 1.00 0.00 C ATOM 1138 C ASN A 81 2.928 1.322 9.998 1.00 0.00 C ATOM 1139 O ASN A 81 2.564 2.497 9.984 1.00 0.00 O ATOM 1140 CB ASN A 81 4.643 1.716 11.740 1.00 0.00 C ATOM 1141 CG ASN A 81 5.245 0.788 12.797 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.604 0.408 13.764 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.508 0.447 12.561 1.00 0.00 N ATOM 0 H ASN A 81 5.214 2.264 9.066 1.00 0.00 H new ATOM 0 HA ASN A 81 4.429 -0.119 10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.334 2.533 11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.726 2.164 12.123 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.000 -0.169 13.209 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.985 0.801 11.732 1.00 0.00 H new ATOM 1150 N MET A 82 2.169 0.297 9.640 1.00 0.00 N ATOM 1151 CA MET A 82 0.802 0.499 9.191 1.00 0.00 C ATOM 1152 C MET A 82 -0.134 -0.552 9.790 1.00 0.00 C ATOM 1153 O MET A 82 0.321 -1.574 10.303 1.00 0.00 O ATOM 1154 CB MET A 82 0.749 0.418 7.664 1.00 0.00 C ATOM 1155 CG MET A 82 1.950 1.129 7.035 1.00 0.00 C ATOM 1156 SD MET A 82 1.916 0.932 5.262 1.00 0.00 S ATOM 1157 CE MET A 82 2.236 -0.820 5.139 1.00 0.00 C ATOM 0 H MET A 82 2.475 -0.676 9.652 1.00 0.00 H new ATOM 0 HA MET A 82 0.473 1.483 9.524 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.736 -0.626 7.352 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.175 0.870 7.304 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.931 2.188 7.292 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.877 0.720 7.437 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.443 -1.080 4.101 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.097 -1.077 5.756 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.364 -1.374 5.485 1.00 0.00 H new ATOM 1167 N THR A 83 -1.425 -0.266 9.707 1.00 0.00 N ATOM 1168 CA THR A 83 -2.429 -1.174 10.235 1.00 0.00 C ATOM 1169 C THR A 83 -3.173 -1.869 9.092 1.00 0.00 C ATOM 1170 O THR A 83 -3.312 -1.309 8.006 1.00 0.00 O ATOM 1171 CB THR A 83 -3.347 -0.376 11.162 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.466 0.510 11.845 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.947 -1.237 12.275 1.00 0.00 C ATOM 0 H THR A 83 -1.799 0.582 9.282 1.00 0.00 H new ATOM 0 HA THR A 83 -1.972 -1.974 10.817 1.00 0.00 H new ATOM 0 HB THR A 83 -4.150 0.073 10.578 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.979 1.067 12.467 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.590 -0.622 12.904 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.534 -2.043 11.835 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.145 -1.660 12.880 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.632 -3.079 9.377 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.359 -3.856 8.388 1.00 0.00 C ATOM 1183 C LEU A 84 -5.718 -4.261 8.961 1.00 0.00 C ATOM 1184 O LEU A 84 -5.910 -4.253 10.176 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.515 -5.040 7.911 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.031 -4.752 7.672 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.251 -6.049 7.445 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -1.843 -3.762 6.521 1.00 0.00 C ATOM 0 H LEU A 84 -3.514 -3.540 10.279 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.554 -3.255 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.596 -5.839 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.946 -5.418 6.984 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.625 -4.284 8.569 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.199 -5.817 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.346 -6.689 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.651 -6.567 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.780 -3.575 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.269 -4.180 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.346 -2.825 6.761 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.626 -4.605 8.060 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.962 -5.012 8.461 1.00 0.00 C ATOM 1202 C GLN A 85 -8.192 -6.486 8.119 1.00 0.00 C ATOM 1203 O GLN A 85 -8.115 -6.877 6.955 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.024 -4.126 7.808 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.422 -4.719 7.993 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.482 -3.848 7.316 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.274 -2.679 7.034 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.626 -4.480 7.071 1.00 0.00 N ATOM 0 H GLN A 85 -6.463 -4.610 7.053 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.049 -4.891 9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.988 -3.128 8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.809 -4.018 6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.452 -5.725 7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.645 -4.809 9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.734 -5.460 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.396 -3.985 6.621 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.471 -7.264 9.155 1.00 0.00 N ATOM 1218 CA ARG A 86 -8.713 -8.685 8.979 1.00 0.00 C ATOM 1219 C ARG A 86 -10.157 -8.927 8.535 1.00 0.00 C ATOM 1220 O ARG A 86 -11.097 -8.579 9.249 1.00 0.00 O ATOM 1221 CB ARG A 86 -8.451 -9.453 10.276 1.00 0.00 C ATOM 1222 CG ARG A 86 -6.963 -9.772 10.434 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.111 -8.512 10.260 1.00 0.00 C ATOM 1224 NE ARG A 86 -4.681 -8.837 10.459 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.876 -9.305 9.496 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.355 -9.507 8.261 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.591 -9.572 9.768 1.00 0.00 N ATOM 0 H ARG A 86 -8.535 -6.937 10.119 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.028 -9.045 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.792 -8.864 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.027 -10.378 10.277 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.783 -10.204 11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.667 -10.520 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.263 -8.095 9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.422 -7.751 10.975 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.283 -8.696 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.333 -9.304 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.742 -9.863 7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.226 -9.419 10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.978 -9.928 9.035 1.00 0.00 H new