USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 828 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: B 6 LYS NZ :NH3+ -164:sc= 0.532 (180deg=0) USER MOD Set 1.2: B 68 HIS : no HE2:sc= 0.476 K(o=1,f=-2.3) USER MOD Set 2.1: B 55 THR OG1 : rot -62:sc= 0.85 USER MOD Set 2.2: B 57 SER OG : rot -6:sc= 0.22 USER MOD Set 3.1: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 19 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 7 THR OG1 : rot 109:sc= 1.05 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.902 USER MOD Set 5.1: A 31 MET CE :methyl -156:sc= -0.163 (180deg=-0.48) USER MOD Set 5.2: A 39 HIS :FLIP no HD1:sc= -1.83 F(o=-4.3!,f=-2) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.34 K(o=-1.3,f=-3.1!) USER MOD Single : A 28 THR OG1 : rot -13:sc= 1.08 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 32 CYS SG : rot -170:sc= 0.049 USER MOD Single : A 33 SER OG : rot -74:sc= 0.082 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.495 K(o=-0.5,f=-1.6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ 179:sc= 1.59 (180deg=1.59) USER MOD Single : B 2 GLN :FLIP amide:sc=-0.00567 F(o=-2,f=-0.0057) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -81:sc= 0.0843 USER MOD Single : B 20 SER OG : rot 180:sc=0.000216 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.232 USER MOD Single : B 25 ASN :FLIP amide:sc= -0.136 F(o=-4!,f=-0.14) USER MOD Single : B 27 LYS NZ :NH3+ -147:sc= 0.0828 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 GLN : amide:sc= -0.713 X(o=-0.71,f=-1) USER MOD Single : B 33 LYS NZ :NH3+ -120:sc= 0.00165 (180deg=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0915 F(o=-1.7!,f=-0.092) USER MOD Single : B 41 GLN : amide:sc= -2.06! C(o=-2.1!,f=-4!) USER MOD Single : B 48 LYS NZ :NH3+ -160:sc= 0.389 (180deg=0.129) USER MOD Single : B 49 GLN : amide:sc= -0.0683 K(o=-0.068,f=-5.3!) USER MOD Single : B 59 TYR OH : rot -54:sc= 1.18 USER MOD Single : B 60 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.1!) USER MOD Single : B 62 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 89:sc= 0.586 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 7.661 -12.072 -0.803 1.00 10.00 N ATOM 2 CA GLY A 12 8.964 -11.466 -0.565 1.00 10.00 C ATOM 3 C GLY A 12 9.213 -10.253 -1.451 1.00 10.00 C ATOM 4 O GLY A 12 9.331 -9.141 -0.936 1.00 10.00 O ATOM 0 HA2 GLY A 12 9.037 -11.169 0.481 1.00 10.00 H new ATOM 0 HA3 GLY A 12 9.744 -12.207 -0.741 1.00 10.00 H new ATOM 8 N PRO A 13 9.298 -10.428 -2.793 1.00 10.00 N ATOM 9 CA PRO A 13 9.537 -9.305 -3.705 1.00 10.00 C ATOM 10 C PRO A 13 8.333 -8.367 -3.790 1.00 10.00 C ATOM 11 O PRO A 13 7.563 -8.411 -4.753 1.00 10.00 O ATOM 12 CB PRO A 13 9.821 -9.979 -5.056 1.00 10.00 C ATOM 13 CG PRO A 13 9.183 -11.329 -4.969 1.00 10.00 C ATOM 14 CD PRO A 13 9.177 -11.717 -3.507 1.00 10.00 C ATOM 0 HA PRO A 13 10.358 -8.671 -3.369 1.00 10.00 H new ATOM 0 HB2 PRO A 13 9.403 -9.400 -5.879 1.00 10.00 H new ATOM 0 HB3 PRO A 13 10.893 -10.062 -5.236 1.00 10.00 H new ATOM 0 HG2 PRO A 13 8.168 -11.303 -5.366 1.00 10.00 H new ATOM 0 HG3 PRO A 13 9.738 -12.058 -5.560 1.00 10.00 H new ATOM 0 HD2 PRO A 13 8.259 -12.238 -3.236 1.00 10.00 H new ATOM 0 HD3 PRO A 13 10.005 -12.385 -3.268 1.00 10.00 H new ATOM 22 N MET A 14 8.185 -7.513 -2.772 1.00 10.00 N ATOM 23 CA MET A 14 7.077 -6.561 -2.723 1.00 10.00 C ATOM 24 C MET A 14 7.285 -5.449 -3.753 1.00 10.00 C ATOM 25 O MET A 14 7.776 -4.366 -3.428 1.00 10.00 O ATOM 26 CB MET A 14 6.950 -5.968 -1.311 1.00 10.00 C ATOM 27 CG MET A 14 6.235 -6.968 -0.397 1.00 10.00 C ATOM 28 SD MET A 14 4.475 -7.024 -0.820 1.00 10.00 S ATOM 29 CE MET A 14 3.835 -7.249 0.856 1.00 10.00 C ATOM 0 H MET A 14 8.818 -7.464 -1.974 1.00 10.00 H new ATOM 0 HA MET A 14 6.153 -7.086 -2.965 1.00 10.00 H new ATOM 0 HB2 MET A 14 7.938 -5.737 -0.912 1.00 10.00 H new ATOM 0 HB3 MET A 14 6.394 -5.031 -1.348 1.00 10.00 H new ATOM 0 HG2 MET A 14 6.678 -7.958 -0.507 1.00 10.00 H new ATOM 0 HG3 MET A 14 6.360 -6.677 0.646 1.00 10.00 H new ATOM 0 HE1 MET A 14 2.747 -7.309 0.825 1.00 10.00 H new ATOM 0 HE2 MET A 14 4.238 -8.169 1.279 1.00 10.00 H new ATOM 0 HE3 MET A 14 4.134 -6.404 1.476 1.00 10.00 H new ATOM 39 N LEU A 15 6.914 -5.738 -5.005 1.00 10.00 N ATOM 40 CA LEU A 15 7.065 -4.772 -6.093 1.00 10.00 C ATOM 41 C LEU A 15 5.999 -3.681 -5.985 1.00 10.00 C ATOM 42 O LEU A 15 4.874 -3.948 -5.564 1.00 10.00 O ATOM 43 CB LEU A 15 6.958 -5.503 -7.452 1.00 10.00 C ATOM 44 CG LEU A 15 8.216 -5.261 -8.304 1.00 10.00 C ATOM 45 CD1 LEU A 15 9.440 -5.889 -7.628 1.00 10.00 C ATOM 46 CD2 LEU A 15 8.018 -5.900 -9.681 1.00 10.00 C ATOM 0 H LEU A 15 6.509 -6.630 -5.287 1.00 10.00 H new ATOM 0 HA LEU A 15 8.045 -4.299 -6.021 1.00 10.00 H new ATOM 0 HB2 LEU A 15 6.826 -6.572 -7.285 1.00 10.00 H new ATOM 0 HB3 LEU A 15 6.077 -5.153 -7.990 1.00 10.00 H new ATOM 0 HG LEU A 15 8.378 -4.188 -8.408 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.325 -5.712 -8.240 1.00 10.00 H new ATOM 0 HD12 LEU A 15 9.583 -5.440 -6.645 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.284 -6.962 -7.518 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.906 -5.733 -10.291 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.854 -6.971 -9.565 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.153 -5.452 -10.169 1.00 10.00 H new ATOM 58 N CYS A 16 6.371 -2.445 -6.350 1.00 10.00 N ATOM 59 CA CYS A 16 5.460 -1.287 -6.276 1.00 10.00 C ATOM 60 C CYS A 16 4.041 -1.581 -6.800 1.00 10.00 C ATOM 61 O CYS A 16 3.864 -2.158 -7.872 1.00 10.00 O ATOM 62 CB CYS A 16 6.049 -0.114 -7.062 1.00 10.00 C ATOM 63 SG CYS A 16 5.257 1.422 -6.525 1.00 10.00 S ATOM 0 H CYS A 16 7.301 -2.218 -6.702 1.00 10.00 H new ATOM 0 HA CYS A 16 5.364 -1.042 -5.218 1.00 10.00 H new ATOM 0 HB2 CYS A 16 7.126 -0.057 -6.901 1.00 10.00 H new ATOM 0 HB3 CYS A 16 5.894 -0.263 -8.131 1.00 10.00 H new ATOM 68 N SER A 17 3.049 -1.172 -6.006 1.00 10.00 N ATOM 69 CA SER A 17 1.643 -1.383 -6.353 1.00 10.00 C ATOM 70 C SER A 17 1.251 -0.587 -7.602 1.00 10.00 C ATOM 71 O SER A 17 0.403 -1.030 -8.379 1.00 10.00 O ATOM 72 CB SER A 17 0.748 -0.970 -5.182 1.00 10.00 C ATOM 73 OG SER A 17 1.114 -1.716 -4.030 1.00 10.00 O ATOM 0 H SER A 17 3.194 -0.692 -5.118 1.00 10.00 H new ATOM 0 HA SER A 17 1.507 -2.443 -6.565 1.00 10.00 H new ATOM 0 HB2 SER A 17 0.853 0.097 -4.987 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.299 -1.148 -5.428 1.00 10.00 H new ATOM 0 HG SER A 17 0.545 -1.454 -3.276 1.00 10.00 H new ATOM 79 N THR A 18 1.863 0.587 -7.783 1.00 10.00 N ATOM 80 CA THR A 18 1.553 1.432 -8.941 1.00 10.00 C ATOM 81 C THR A 18 2.125 0.860 -10.251 1.00 10.00 C ATOM 82 O THR A 18 1.734 1.304 -11.332 1.00 10.00 O ATOM 83 CB THR A 18 2.087 2.849 -8.719 1.00 10.00 C ATOM 84 OG1 THR A 18 3.487 2.799 -8.497 1.00 10.00 O ATOM 85 CG2 THR A 18 1.396 3.479 -7.505 1.00 10.00 C ATOM 0 H THR A 18 2.567 0.971 -7.152 1.00 10.00 H new ATOM 0 HA THR A 18 0.468 1.457 -9.039 1.00 10.00 H new ATOM 0 HB THR A 18 1.881 3.454 -9.602 1.00 10.00 H new ATOM 0 HG1 THR A 18 3.664 2.428 -7.607 1.00 10.00 H new ATOM 0 HG21 THR A 18 1.779 4.488 -7.351 1.00 10.00 H new ATOM 0 HG22 THR A 18 0.321 3.522 -7.680 1.00 10.00 H new ATOM 0 HG23 THR A 18 1.595 2.876 -6.619 1.00 10.00 H new ATOM 93 N GLY A 19 3.031 -0.129 -10.161 1.00 10.00 N ATOM 94 CA GLY A 19 3.611 -0.739 -11.360 1.00 10.00 C ATOM 95 C GLY A 19 4.645 0.172 -12.013 1.00 10.00 C ATOM 96 O GLY A 19 4.657 0.319 -13.237 1.00 10.00 O ATOM 0 H GLY A 19 3.371 -0.516 -9.281 1.00 10.00 H new ATOM 0 HA2 GLY A 19 4.077 -1.688 -11.096 1.00 10.00 H new ATOM 0 HA3 GLY A 19 2.819 -0.961 -12.075 1.00 10.00 H new ATOM 100 N CYS A 20 5.511 0.778 -11.204 1.00 10.00 N ATOM 101 CA CYS A 20 6.536 1.680 -11.728 1.00 10.00 C ATOM 102 C CYS A 20 7.802 0.916 -12.177 1.00 10.00 C ATOM 103 O CYS A 20 8.644 1.477 -12.877 1.00 10.00 O ATOM 104 CB CYS A 20 6.885 2.752 -10.680 1.00 10.00 C ATOM 105 SG CYS A 20 7.775 2.097 -9.257 1.00 10.00 S ATOM 0 H CYS A 20 5.525 0.663 -10.191 1.00 10.00 H new ATOM 0 HA CYS A 20 6.128 2.170 -12.612 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.489 3.528 -11.151 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.966 3.227 -10.337 1.00 10.00 H new ATOM 110 N GLY A 21 7.933 -0.363 -11.776 1.00 10.00 N ATOM 111 CA GLY A 21 9.095 -1.169 -12.173 1.00 10.00 C ATOM 112 C GLY A 21 10.211 -1.186 -11.119 1.00 10.00 C ATOM 113 O GLY A 21 11.277 -1.753 -11.366 1.00 10.00 O ATOM 0 H GLY A 21 7.258 -0.851 -11.187 1.00 10.00 H new ATOM 0 HA2 GLY A 21 8.771 -2.192 -12.365 1.00 10.00 H new ATOM 0 HA3 GLY A 21 9.495 -0.780 -13.109 1.00 10.00 H new ATOM 117 N PHE A 22 9.971 -0.571 -9.956 1.00 10.00 N ATOM 118 CA PHE A 22 10.973 -0.525 -8.889 1.00 10.00 C ATOM 119 C PHE A 22 10.477 -1.240 -7.644 1.00 10.00 C ATOM 120 O PHE A 22 9.299 -1.577 -7.547 1.00 10.00 O ATOM 121 CB PHE A 22 11.326 0.931 -8.589 1.00 10.00 C ATOM 122 CG PHE A 22 12.191 1.504 -9.679 1.00 10.00 C ATOM 123 CD1 PHE A 22 13.546 1.200 -9.723 1.00 10.00 C ATOM 124 CD2 PHE A 22 11.651 2.304 -10.677 1.00 10.00 C ATOM 125 CE1 PHE A 22 14.351 1.686 -10.740 1.00 10.00 C ATOM 126 CE2 PHE A 22 12.451 2.799 -11.696 1.00 10.00 C ATOM 127 CZ PHE A 22 13.804 2.487 -11.727 1.00 10.00 C ATOM 0 H PHE A 22 9.095 -0.100 -9.731 1.00 10.00 H new ATOM 0 HA PHE A 22 11.872 -1.045 -9.220 1.00 10.00 H new ATOM 0 HB2 PHE A 22 10.413 1.520 -8.495 1.00 10.00 H new ATOM 0 HB3 PHE A 22 11.847 0.995 -7.633 1.00 10.00 H new ATOM 0 HD1 PHE A 22 13.977 0.576 -8.954 1.00 10.00 H new ATOM 0 HD2 PHE A 22 10.598 2.543 -10.660 1.00 10.00 H new ATOM 0 HE1 PHE A 22 15.402 1.441 -10.763 1.00 10.00 H new ATOM 0 HE2 PHE A 22 12.023 3.426 -12.464 1.00 10.00 H new ATOM 0 HZ PHE A 22 14.429 2.869 -12.521 1.00 10.00 H new ATOM 137 N TYR A 23 11.382 -1.471 -6.695 1.00 10.00 N ATOM 138 CA TYR A 23 11.033 -2.155 -5.459 1.00 10.00 C ATOM 139 C TYR A 23 10.442 -1.189 -4.433 1.00 10.00 C ATOM 140 O TYR A 23 10.919 -0.069 -4.285 1.00 10.00 O ATOM 141 CB TYR A 23 12.261 -2.849 -4.869 1.00 10.00 C ATOM 142 CG TYR A 23 12.420 -4.260 -5.378 1.00 10.00 C ATOM 143 CD1 TYR A 23 13.123 -4.500 -6.550 1.00 10.00 C ATOM 144 CD2 TYR A 23 11.857 -5.341 -4.708 1.00 10.00 C ATOM 145 CE1 TYR A 23 13.268 -5.781 -7.048 1.00 10.00 C ATOM 146 CE2 TYR A 23 11.994 -6.629 -5.199 1.00 10.00 C ATOM 147 CZ TYR A 23 12.702 -6.844 -6.371 1.00 10.00 C ATOM 148 OH TYR A 23 12.845 -8.128 -6.860 1.00 10.00 O ATOM 0 H TYR A 23 12.361 -1.193 -6.762 1.00 10.00 H new ATOM 0 HA TYR A 23 10.277 -2.902 -5.699 1.00 10.00 H new ATOM 0 HB2 TYR A 23 13.154 -2.274 -5.114 1.00 10.00 H new ATOM 0 HB3 TYR A 23 12.180 -2.864 -3.782 1.00 10.00 H new ATOM 0 HD1 TYR A 23 13.565 -3.671 -7.083 1.00 10.00 H new ATOM 0 HD2 TYR A 23 11.306 -5.174 -3.794 1.00 10.00 H new ATOM 0 HE1 TYR A 23 13.820 -5.950 -7.961 1.00 10.00 H new ATOM 0 HE2 TYR A 23 11.552 -7.461 -4.671 1.00 10.00 H new ATOM 0 HH TYR A 23 12.388 -8.758 -6.264 1.00 10.00 H new ATOM 158 N GLY A 24 9.396 -1.638 -3.732 1.00 10.00 N ATOM 159 CA GLY A 24 8.749 -0.813 -2.719 1.00 10.00 C ATOM 160 C GLY A 24 9.015 -1.333 -1.317 1.00 10.00 C ATOM 161 O GLY A 24 9.394 -2.492 -1.144 1.00 10.00 O ATOM 0 H GLY A 24 8.984 -2.564 -3.850 1.00 10.00 H new ATOM 0 HA2 GLY A 24 9.109 0.213 -2.801 1.00 10.00 H new ATOM 0 HA3 GLY A 24 7.675 -0.790 -2.901 1.00 10.00 H new ATOM 165 N ASN A 25 8.820 -0.480 -0.314 1.00 10.00 N ATOM 166 CA ASN A 25 9.043 -0.869 1.073 1.00 10.00 C ATOM 167 C ASN A 25 7.758 -1.416 1.698 1.00 10.00 C ATOM 168 O ASN A 25 6.733 -0.755 1.683 1.00 10.00 O ATOM 169 CB ASN A 25 9.511 0.329 1.896 1.00 10.00 C ATOM 170 CG ASN A 25 10.946 0.722 1.556 1.00 10.00 C ATOM 171 OD1 ASN A 25 11.389 0.550 0.428 1.00 10.00 O ATOM 172 ND2 ASN A 25 11.687 1.261 2.518 1.00 10.00 N ATOM 0 H ASN A 25 8.508 0.483 -0.437 1.00 10.00 H new ATOM 0 HA ASN A 25 9.809 -1.644 1.078 1.00 10.00 H new ATOM 0 HB2 ASN A 25 8.849 1.176 1.715 1.00 10.00 H new ATOM 0 HB3 ASN A 25 9.441 0.091 2.957 1.00 10.00 H new ATOM 0 HD21 ASN A 25 12.648 1.542 2.324 1.00 10.00 H new ATOM 0 HD22 ASN A 25 11.295 1.394 3.450 1.00 10.00 H new ATOM 179 N PRO A 26 7.767 -2.637 2.263 1.00 10.00 N ATOM 180 CA PRO A 26 6.546 -3.219 2.903 1.00 10.00 C ATOM 181 C PRO A 26 6.135 -2.455 4.166 1.00 10.00 C ATOM 182 O PRO A 26 4.979 -2.536 4.591 1.00 10.00 O ATOM 183 CB PRO A 26 6.941 -4.656 3.220 1.00 10.00 C ATOM 184 CG PRO A 26 8.425 -4.631 3.341 1.00 10.00 C ATOM 185 CD PRO A 26 8.909 -3.576 2.352 1.00 10.00 C ATOM 0 HA PRO A 26 5.675 -3.159 2.250 1.00 10.00 H new ATOM 0 HB2 PRO A 26 6.476 -4.998 4.144 1.00 10.00 H new ATOM 0 HB3 PRO A 26 6.621 -5.336 2.431 1.00 10.00 H new ATOM 0 HG2 PRO A 26 8.730 -4.382 4.358 1.00 10.00 H new ATOM 0 HG3 PRO A 26 8.852 -5.607 3.110 1.00 10.00 H new ATOM 0 HD2 PRO A 26 9.812 -3.078 2.706 1.00 10.00 H new ATOM 0 HD3 PRO A 26 9.146 -4.013 1.382 1.00 10.00 H new ATOM 193 N ARG A 27 7.064 -1.681 4.743 1.00 10.00 N ATOM 194 CA ARG A 27 6.760 -0.872 5.928 1.00 10.00 C ATOM 195 C ARG A 27 5.935 0.355 5.519 1.00 10.00 C ATOM 196 O ARG A 27 5.079 0.819 6.274 1.00 10.00 O ATOM 197 CB ARG A 27 8.053 -0.404 6.599 1.00 10.00 C ATOM 198 CG ARG A 27 8.717 -1.578 7.321 1.00 10.00 C ATOM 199 CD ARG A 27 9.926 -1.073 8.119 1.00 10.00 C ATOM 200 NE ARG A 27 9.501 -0.573 9.435 1.00 10.00 N ATOM 201 CZ ARG A 27 10.357 -0.015 10.315 1.00 10.00 C ATOM 202 NH1 ARG A 27 11.644 0.085 10.068 1.00 10.00 N ATOM 203 NH2 ARG A 27 9.894 0.435 11.451 1.00 10.00 N ATOM 0 H ARG A 27 8.025 -1.599 4.411 1.00 10.00 H new ATOM 0 HA ARG A 27 6.192 -1.483 6.630 1.00 10.00 H new ATOM 0 HB2 ARG A 27 8.733 0.007 5.853 1.00 10.00 H new ATOM 0 HB3 ARG A 27 7.837 0.395 7.308 1.00 10.00 H new ATOM 0 HG2 ARG A 27 8.002 -2.058 7.989 1.00 10.00 H new ATOM 0 HG3 ARG A 27 9.034 -2.330 6.599 1.00 10.00 H new ATOM 0 HD2 ARG A 27 10.648 -1.879 8.246 1.00 10.00 H new ATOM 0 HD3 ARG A 27 10.428 -0.279 7.566 1.00 10.00 H new ATOM 0 HE ARG A 27 8.517 -0.652 9.693 1.00 10.00 H new ATOM 0 HH11 ARG A 27 12.023 -0.265 9.188 1.00 10.00 H new ATOM 0 HH12 ARG A 27 12.264 0.513 10.756 1.00 10.00 H new ATOM 0 HH21 ARG A 27 8.899 0.361 11.661 1.00 10.00 H new ATOM 0 HH22 ARG A 27 10.528 0.860 12.128 1.00 10.00 H new ATOM 217 N THR A 28 6.185 0.849 4.296 1.00 10.00 N ATOM 218 CA THR A 28 5.452 1.992 3.766 1.00 10.00 C ATOM 219 C THR A 28 4.081 1.493 3.265 1.00 10.00 C ATOM 220 O THR A 28 3.579 0.485 3.767 1.00 10.00 O ATOM 221 CB THR A 28 6.270 2.666 2.643 1.00 10.00 C ATOM 222 OG1 THR A 28 6.417 1.758 1.561 1.00 10.00 O ATOM 223 CG2 THR A 28 7.656 3.074 3.160 1.00 10.00 C ATOM 0 H THR A 28 6.889 0.470 3.663 1.00 10.00 H new ATOM 0 HA THR A 28 5.291 2.745 4.538 1.00 10.00 H new ATOM 0 HB THR A 28 5.743 3.560 2.309 1.00 10.00 H new ATOM 0 HG1 THR A 28 6.160 0.858 1.852 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.219 3.547 2.356 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.544 3.776 3.987 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.191 2.189 3.505 1.00 10.00 H new ATOM 231 N ASN A 29 3.474 2.185 2.292 1.00 10.00 N ATOM 232 CA ASN A 29 2.170 1.781 1.760 1.00 10.00 C ATOM 233 C ASN A 29 2.306 0.813 0.573 1.00 10.00 C ATOM 234 O ASN A 29 1.424 0.765 -0.289 1.00 10.00 O ATOM 235 CB ASN A 29 1.403 3.034 1.324 1.00 10.00 C ATOM 236 CG ASN A 29 0.749 3.686 2.538 1.00 10.00 C ATOM 237 OD1 ASN A 29 1.414 3.927 3.544 1.00 10.00 O ATOM 238 ND2 ASN A 29 -0.517 3.989 2.504 1.00 10.00 N ATOM 0 H ASN A 29 3.864 3.023 1.860 1.00 10.00 H new ATOM 0 HA ASN A 29 1.628 1.255 2.546 1.00 10.00 H new ATOM 0 HB2 ASN A 29 2.082 3.738 0.843 1.00 10.00 H new ATOM 0 HB3 ASN A 29 0.644 2.769 0.588 1.00 10.00 H new ATOM 0 HD21 ASN A 29 -0.958 4.427 3.313 1.00 10.00 H new ATOM 0 HD22 ASN A 29 -1.067 3.788 1.669 1.00 10.00 H new ATOM 245 N GLY A 30 3.412 0.055 0.514 1.00 10.00 N ATOM 246 CA GLY A 30 3.638 -0.876 -0.590 1.00 10.00 C ATOM 247 C GLY A 30 4.282 -0.169 -1.792 1.00 10.00 C ATOM 248 O GLY A 30 4.346 -0.741 -2.882 1.00 10.00 O ATOM 0 H GLY A 30 4.154 0.071 1.213 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.282 -1.690 -0.256 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.691 -1.322 -0.892 1.00 10.00 H new ATOM 252 N MET A 31 4.737 1.085 -1.598 1.00 10.00 N ATOM 253 CA MET A 31 5.342 1.856 -2.677 1.00 10.00 C ATOM 254 C MET A 31 6.767 2.280 -2.321 1.00 10.00 C ATOM 255 O MET A 31 7.158 2.274 -1.151 1.00 10.00 O ATOM 256 CB MET A 31 4.497 3.105 -2.936 1.00 10.00 C ATOM 257 CG MET A 31 3.355 2.778 -3.898 1.00 10.00 C ATOM 258 SD MET A 31 2.065 1.847 -3.039 1.00 10.00 S ATOM 259 CE MET A 31 0.642 2.763 -3.688 1.00 10.00 C ATOM 0 H MET A 31 4.693 1.575 -0.704 1.00 10.00 H new ATOM 0 HA MET A 31 5.381 1.230 -3.568 1.00 10.00 H new ATOM 0 HB2 MET A 31 4.094 3.482 -1.996 1.00 10.00 H new ATOM 0 HB3 MET A 31 5.121 3.895 -3.355 1.00 10.00 H new ATOM 0 HG2 MET A 31 2.939 3.699 -4.307 1.00 10.00 H new ATOM 0 HG3 MET A 31 3.733 2.198 -4.740 1.00 10.00 H new ATOM 0 HE1 MET A 31 -0.199 2.662 -3.002 1.00 10.00 H new ATOM 0 HE2 MET A 31 0.903 3.816 -3.790 1.00 10.00 H new ATOM 0 HE3 MET A 31 0.365 2.362 -4.663 1.00 10.00 H new ATOM 269 N CYS A 32 7.534 2.646 -3.344 1.00 10.00 N ATOM 270 CA CYS A 32 8.911 3.083 -3.160 1.00 10.00 C ATOM 271 C CYS A 32 8.934 4.494 -2.548 1.00 10.00 C ATOM 272 O CYS A 32 7.907 4.986 -2.094 1.00 10.00 O ATOM 273 CB CYS A 32 9.650 3.024 -4.509 1.00 10.00 C ATOM 274 SG CYS A 32 8.918 4.084 -5.769 1.00 10.00 S ATOM 0 H CYS A 32 7.221 2.648 -4.315 1.00 10.00 H new ATOM 0 HA CYS A 32 9.427 2.419 -2.467 1.00 10.00 H new ATOM 0 HB2 CYS A 32 10.690 3.314 -4.359 1.00 10.00 H new ATOM 0 HB3 CYS A 32 9.655 1.995 -4.868 1.00 10.00 H new ATOM 0 HG CYS A 32 9.459 3.825 -6.922 1.00 10.00 H new ATOM 279 N SER A 33 10.095 5.143 -2.525 1.00 10.00 N ATOM 280 CA SER A 33 10.213 6.484 -1.930 1.00 10.00 C ATOM 281 C SER A 33 9.516 7.570 -2.755 1.00 10.00 C ATOM 282 O SER A 33 9.075 8.583 -2.213 1.00 10.00 O ATOM 283 CB SER A 33 11.689 6.852 -1.762 1.00 10.00 C ATOM 284 OG SER A 33 12.325 6.903 -3.009 1.00 10.00 O ATOM 0 H SER A 33 10.965 4.771 -2.907 1.00 10.00 H new ATOM 0 HA SER A 33 9.714 6.439 -0.962 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.775 7.817 -1.263 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.183 6.119 -1.125 1.00 10.00 H new ATOM 0 HG SER A 33 12.457 5.992 -3.346 1.00 10.00 H new ATOM 290 N VAL A 34 9.410 7.346 -4.061 1.00 10.00 N ATOM 291 CA VAL A 34 8.799 8.317 -4.967 1.00 10.00 C ATOM 292 C VAL A 34 7.264 8.267 -4.943 1.00 10.00 C ATOM 293 O VAL A 34 6.610 9.268 -4.647 1.00 10.00 O ATOM 294 CB VAL A 34 9.295 8.103 -6.413 1.00 10.00 C ATOM 295 CG1 VAL A 34 8.839 9.256 -7.305 1.00 10.00 C ATOM 296 CG2 VAL A 34 10.819 7.981 -6.448 1.00 10.00 C ATOM 0 H VAL A 34 9.741 6.497 -4.519 1.00 10.00 H new ATOM 0 HA VAL A 34 9.105 9.301 -4.612 1.00 10.00 H new ATOM 0 HB VAL A 34 8.865 7.175 -6.789 1.00 10.00 H new ATOM 0 HG11 VAL A 34 9.196 9.092 -8.322 1.00 10.00 H new ATOM 0 HG12 VAL A 34 7.750 9.307 -7.306 1.00 10.00 H new ATOM 0 HG13 VAL A 34 9.245 10.193 -6.924 1.00 10.00 H new ATOM 0 HG21 VAL A 34 11.148 7.831 -7.476 1.00 10.00 H new ATOM 0 HG22 VAL A 34 11.266 8.893 -6.053 1.00 10.00 H new ATOM 0 HG23 VAL A 34 11.130 7.132 -5.839 1.00 10.00 H new ATOM 306 N CYS A 35 6.703 7.103 -5.242 1.00 10.00 N ATOM 307 CA CYS A 35 5.250 6.919 -5.272 1.00 10.00 C ATOM 308 C CYS A 35 4.598 7.178 -3.915 1.00 10.00 C ATOM 309 O CYS A 35 3.489 7.711 -3.851 1.00 10.00 O ATOM 310 CB CYS A 35 4.933 5.507 -5.744 1.00 10.00 C ATOM 311 SG CYS A 35 5.529 5.197 -7.416 1.00 10.00 S ATOM 0 H CYS A 35 7.234 6.262 -5.470 1.00 10.00 H new ATOM 0 HA CYS A 35 4.837 7.651 -5.965 1.00 10.00 H new ATOM 0 HB2 CYS A 35 5.384 4.788 -5.060 1.00 10.00 H new ATOM 0 HB3 CYS A 35 3.855 5.348 -5.709 1.00 10.00 H new ATOM 316 N TYR A 36 5.299 6.822 -2.840 1.00 10.00 N ATOM 317 CA TYR A 36 4.779 7.007 -1.477 1.00 10.00 C ATOM 318 C TYR A 36 4.473 8.481 -1.166 1.00 10.00 C ATOM 319 O TYR A 36 3.394 8.792 -0.660 1.00 10.00 O ATOM 320 CB TYR A 36 5.786 6.427 -0.455 1.00 10.00 C ATOM 321 CG TYR A 36 5.311 6.589 0.988 1.00 10.00 C ATOM 322 CD1 TYR A 36 3.972 6.350 1.342 1.00 10.00 C ATOM 323 CD2 TYR A 36 6.230 6.970 1.972 1.00 10.00 C ATOM 324 CE1 TYR A 36 3.560 6.491 2.672 1.00 10.00 C ATOM 325 CE2 TYR A 36 5.818 7.114 3.302 1.00 10.00 C ATOM 326 CZ TYR A 36 4.485 6.874 3.654 1.00 10.00 C ATOM 327 OH TYR A 36 4.083 7.011 4.965 1.00 10.00 O ATOM 0 H TYR A 36 6.228 6.404 -2.881 1.00 10.00 H new ATOM 0 HA TYR A 36 3.834 6.469 -1.402 1.00 10.00 H new ATOM 0 HB2 TYR A 36 5.945 5.369 -0.666 1.00 10.00 H new ATOM 0 HB3 TYR A 36 6.749 6.924 -0.576 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.259 6.057 0.586 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.260 7.153 1.705 1.00 10.00 H new ATOM 0 HE1 TYR A 36 2.531 6.305 2.942 1.00 10.00 H new ATOM 0 HE2 TYR A 36 6.530 7.411 4.058 1.00 10.00 H new ATOM 0 HH TYR A 36 4.848 7.281 5.515 1.00 10.00 H new ATOM 337 N LYS A 37 5.418 9.373 -1.464 1.00 10.00 N ATOM 338 CA LYS A 37 5.217 10.797 -1.192 1.00 10.00 C ATOM 339 C LYS A 37 4.207 11.380 -2.176 1.00 10.00 C ATOM 340 O LYS A 37 3.327 12.150 -1.791 1.00 10.00 O ATOM 341 CB LYS A 37 6.548 11.572 -1.251 1.00 10.00 C ATOM 342 CG LYS A 37 7.198 11.457 -2.634 1.00 10.00 C ATOM 343 CD LYS A 37 8.527 12.210 -2.640 1.00 10.00 C ATOM 344 CE LYS A 37 9.025 12.351 -4.078 1.00 10.00 C ATOM 345 NZ LYS A 37 10.449 12.791 -4.068 1.00 10.00 N ATOM 0 H LYS A 37 6.317 9.141 -1.887 1.00 10.00 H new ATOM 0 HA LYS A 37 4.823 10.899 -0.181 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.371 12.622 -1.016 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.230 11.186 -0.493 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.361 10.409 -2.884 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.533 11.866 -3.395 1.00 10.00 H new ATOM 0 HD2 LYS A 37 8.402 13.194 -2.189 1.00 10.00 H new ATOM 0 HD3 LYS A 37 9.263 11.675 -2.039 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.930 11.400 -4.602 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.413 13.074 -4.617 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.789 12.887 -5.046 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 10.526 13.708 -3.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 11.027 12.085 -3.568 1.00 10.00 H new ATOM 359 N GLU A 38 4.359 11.017 -3.452 1.00 10.00 N ATOM 360 CA GLU A 38 3.475 11.513 -4.511 1.00 10.00 C ATOM 361 C GLU A 38 2.000 11.246 -4.204 1.00 10.00 C ATOM 362 O GLU A 38 1.147 12.095 -4.482 1.00 10.00 O ATOM 363 CB GLU A 38 3.842 10.851 -5.844 1.00 10.00 C ATOM 364 CG GLU A 38 5.061 11.553 -6.448 1.00 10.00 C ATOM 365 CD GLU A 38 4.636 12.866 -7.094 1.00 10.00 C ATOM 366 OE1 GLU A 38 3.664 12.853 -7.829 1.00 10.00 O ATOM 367 OE2 GLU A 38 5.289 13.864 -6.842 1.00 10.00 O ATOM 0 H GLU A 38 5.087 10.381 -3.778 1.00 10.00 H new ATOM 0 HA GLU A 38 3.614 12.592 -4.572 1.00 10.00 H new ATOM 0 HB2 GLU A 38 4.058 9.794 -5.689 1.00 10.00 H new ATOM 0 HB3 GLU A 38 2.999 10.906 -6.533 1.00 10.00 H new ATOM 0 HG2 GLU A 38 5.803 11.743 -5.673 1.00 10.00 H new ATOM 0 HG3 GLU A 38 5.532 10.908 -7.190 1.00 10.00 H new ATOM 374 N HIS A 39 1.697 10.066 -3.643 1.00 10.00 N ATOM 375 CA HIS A 39 0.304 9.728 -3.328 1.00 10.00 C ATOM 376 C HIS A 39 -0.120 10.276 -1.956 1.00 10.00 C ATOM 377 O HIS A 39 -1.279 10.646 -1.761 1.00 10.00 O ATOM 378 CB HIS A 39 0.055 8.200 -3.467 1.00 10.00 C ATOM 379 CG HIS A 39 0.524 7.386 -2.274 1.00 10.00 C ATOM 380 ND1 HIS A 39 0.249 7.459 -0.927 1.00 10.00 N flip ATOM 381 CD2 HIS A 39 1.324 6.265 -2.428 1.00 10.00 C flip ATOM 382 CE1 HIS A 39 0.861 6.403 -0.263 1.00 10.00 C flip ATOM 383 NE2 HIS A 39 1.493 5.713 -1.213 1.00 10.00 N flip ATOM 0 H HIS A 39 2.380 9.347 -3.404 1.00 10.00 H new ATOM 0 HA HIS A 39 -0.335 10.221 -4.061 1.00 10.00 H new ATOM 0 HB2 HIS A 39 -1.011 8.028 -3.614 1.00 10.00 H new ATOM 0 HB3 HIS A 39 0.563 7.840 -4.362 1.00 10.00 H new ATOM 0 HD2 HIS A 39 1.737 5.900 -3.357 1.00 10.00 H new ATOM 0 HE1 HIS A 39 0.831 6.187 0.795 1.00 10.00 H new ATOM 0 HE2 HIS A 39 2.039 4.869 -1.039 1.00 10.00 H new ATOM 392 N LEU A 40 0.828 10.318 -1.017 1.00 10.00 N ATOM 393 CA LEU A 40 0.553 10.817 0.340 1.00 10.00 C ATOM 394 C LEU A 40 0.131 12.291 0.322 1.00 10.00 C ATOM 395 O LEU A 40 -0.638 12.732 1.179 1.00 10.00 O ATOM 396 CB LEU A 40 1.804 10.654 1.214 1.00 10.00 C ATOM 397 CG LEU A 40 1.440 10.841 2.688 1.00 10.00 C ATOM 398 CD1 LEU A 40 0.707 9.593 3.193 1.00 10.00 C ATOM 399 CD2 LEU A 40 2.720 11.052 3.509 1.00 10.00 C ATOM 0 H LEU A 40 1.790 10.015 -1.167 1.00 10.00 H new ATOM 0 HA LEU A 40 -0.270 10.233 0.752 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.239 9.666 1.061 1.00 10.00 H new ATOM 0 HB3 LEU A 40 2.559 11.384 0.922 1.00 10.00 H new ATOM 0 HG LEU A 40 0.793 11.712 2.796 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.447 9.724 4.243 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -0.202 9.444 2.610 1.00 10.00 H new ATOM 0 HD13 LEU A 40 1.354 8.723 3.086 1.00 10.00 H new ATOM 0 HD21 LEU A 40 2.461 11.185 4.559 1.00 10.00 H new ATOM 0 HD22 LEU A 40 3.368 10.182 3.403 1.00 10.00 H new ATOM 0 HD23 LEU A 40 3.241 11.939 3.149 1.00 10.00 H new ATOM 411 N GLN A 41 0.644 13.042 -0.651 1.00 10.00 N ATOM 412 CA GLN A 41 0.327 14.469 -0.770 1.00 10.00 C ATOM 413 C GLN A 41 -1.152 14.685 -1.108 1.00 10.00 C ATOM 414 O GLN A 41 -1.782 15.610 -0.587 1.00 10.00 O ATOM 415 CB GLN A 41 1.210 15.095 -1.860 1.00 10.00 C ATOM 416 CG GLN A 41 2.519 15.598 -1.240 1.00 10.00 C ATOM 417 CD GLN A 41 3.442 16.129 -2.328 1.00 10.00 C ATOM 418 OE1 GLN A 41 4.203 15.366 -2.925 1.00 10.00 O ATOM 419 NE2 GLN A 41 3.424 17.400 -2.621 1.00 10.00 N ATOM 0 H GLN A 41 1.279 12.690 -1.367 1.00 10.00 H new ATOM 0 HA GLN A 41 0.524 14.948 0.189 1.00 10.00 H new ATOM 0 HB2 GLN A 41 1.423 14.359 -2.636 1.00 10.00 H new ATOM 0 HB3 GLN A 41 0.683 15.920 -2.339 1.00 10.00 H new ATOM 0 HG2 GLN A 41 2.309 16.384 -0.515 1.00 10.00 H new ATOM 0 HG3 GLN A 41 3.009 14.788 -0.699 1.00 10.00 H new ATOM 0 HE21 GLN A 41 2.793 18.029 -2.125 1.00 10.00 H new ATOM 0 HE22 GLN A 41 4.041 17.765 -3.346 1.00 10.00 H new ATOM 428 N ARG A 42 -1.698 13.831 -1.976 1.00 10.00 N ATOM 429 CA ARG A 42 -3.106 13.938 -2.374 1.00 10.00 C ATOM 430 C ARG A 42 -4.029 13.351 -1.307 1.00 10.00 C ATOM 431 O ARG A 42 -5.162 13.808 -1.140 1.00 10.00 O ATOM 432 CB ARG A 42 -3.332 13.207 -3.696 1.00 10.00 C ATOM 433 CG ARG A 42 -2.679 14.000 -4.827 1.00 10.00 C ATOM 434 CD ARG A 42 -2.587 13.125 -6.075 1.00 10.00 C ATOM 435 NE ARG A 42 -1.752 13.776 -7.091 1.00 10.00 N ATOM 436 CZ ARG A 42 -2.151 14.866 -7.773 1.00 10.00 C ATOM 437 NH1 ARG A 42 -3.337 15.402 -7.598 1.00 10.00 N ATOM 438 NH2 ARG A 42 -1.340 15.398 -8.647 1.00 10.00 N ATOM 0 H ARG A 42 -1.192 13.062 -2.415 1.00 10.00 H new ATOM 0 HA ARG A 42 -3.341 14.996 -2.492 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -2.908 12.204 -3.648 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -4.400 13.094 -3.885 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -3.261 14.896 -5.040 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -1.684 14.330 -4.527 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -2.166 12.153 -5.816 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -3.585 12.944 -6.475 1.00 10.00 H new ATOM 0 HE ARG A 42 -0.830 13.386 -7.289 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -3.988 14.992 -6.928 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -3.607 16.228 -8.132 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -0.420 14.988 -8.805 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -1.627 16.224 -9.172 1.00 10.00 H new ATOM 452 N GLN A 43 -3.537 12.340 -0.588 1.00 10.00 N ATOM 453 CA GLN A 43 -4.317 11.700 0.464 1.00 10.00 C ATOM 454 C GLN A 43 -4.363 12.598 1.703 1.00 10.00 C ATOM 455 O GLN A 43 -5.387 12.680 2.382 1.00 10.00 O ATOM 456 CB GLN A 43 -3.689 10.350 0.821 1.00 10.00 C ATOM 457 CG GLN A 43 -4.743 9.427 1.436 1.00 10.00 C ATOM 458 CD GLN A 43 -5.494 8.668 0.343 1.00 10.00 C ATOM 459 OE1 GLN A 43 -4.941 8.388 -0.722 1.00 10.00 O ATOM 460 NE2 GLN A 43 -6.733 8.315 0.547 1.00 10.00 N ATOM 0 H GLN A 43 -2.603 11.950 -0.717 1.00 10.00 H new ATOM 0 HA GLN A 43 -5.335 11.540 0.107 1.00 10.00 H new ATOM 0 HB2 GLN A 43 -3.267 9.889 -0.072 1.00 10.00 H new ATOM 0 HB3 GLN A 43 -2.868 10.496 1.523 1.00 10.00 H new ATOM 0 HG2 GLN A 43 -4.265 8.720 2.114 1.00 10.00 H new ATOM 0 HG3 GLN A 43 -5.446 10.012 2.029 1.00 10.00 H new ATOM 0 HE21 GLN A 43 -7.191 8.547 1.429 1.00 10.00 H new ATOM 0 HE22 GLN A 43 -7.244 7.807 -0.175 1.00 10.00 H new ATOM 469 N GLN A 44 -3.241 13.265 1.985 1.00 10.00 N ATOM 470 CA GLN A 44 -3.146 14.156 3.142 1.00 10.00 C ATOM 471 C GLN A 44 -3.922 15.452 2.900 1.00 10.00 C ATOM 472 O GLN A 44 -4.589 15.960 3.805 1.00 10.00 O ATOM 473 CB GLN A 44 -1.681 14.489 3.428 1.00 10.00 C ATOM 474 CG GLN A 44 -1.546 14.974 4.872 1.00 10.00 C ATOM 475 CD GLN A 44 -0.077 15.044 5.264 1.00 10.00 C ATOM 476 OE1 GLN A 44 0.356 14.347 6.183 1.00 10.00 O ATOM 477 NE2 GLN A 44 0.722 15.848 4.620 1.00 10.00 N ATOM 0 H GLN A 44 -2.388 13.205 1.429 1.00 10.00 H new ATOM 0 HA GLN A 44 -3.580 13.643 4.000 1.00 10.00 H new ATOM 0 HB2 GLN A 44 -1.058 13.609 3.268 1.00 10.00 H new ATOM 0 HB3 GLN A 44 -1.330 15.258 2.740 1.00 10.00 H new ATOM 0 HG2 GLN A 44 -2.006 15.956 4.979 1.00 10.00 H new ATOM 0 HG3 GLN A 44 -2.078 14.298 5.542 1.00 10.00 H new ATOM 0 HE21 GLN A 44 0.361 16.424 3.859 1.00 10.00 H new ATOM 0 HE22 GLN A 44 1.708 15.901 4.877 1.00 10.00 H new ATOM 486 N ASN A 45 -3.823 15.982 1.679 1.00 10.00 N ATOM 487 CA ASN A 45 -4.514 17.225 1.326 1.00 10.00 C ATOM 488 C ASN A 45 -6.031 17.027 1.340 1.00 10.00 C ATOM 489 O ASN A 45 -6.772 17.883 1.826 1.00 10.00 O ATOM 490 CB ASN A 45 -4.071 17.698 -0.065 1.00 10.00 C ATOM 491 CG ASN A 45 -2.752 18.464 0.034 1.00 10.00 C ATOM 492 OD1 ASN A 45 -2.516 19.169 1.014 1.00 10.00 O ATOM 493 ND2 ASN A 45 -1.876 18.366 -0.930 1.00 10.00 N ATOM 0 H ASN A 45 -3.275 15.573 0.922 1.00 10.00 H new ATOM 0 HA ASN A 45 -4.253 17.981 2.067 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -3.954 16.841 -0.728 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -4.839 18.336 -0.502 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.994 18.875 -0.871 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.074 17.781 -1.742 1.00 10.00 H new ATOM 500 N SER A 46 -6.481 15.892 0.797 1.00 10.00 N ATOM 501 CA SER A 46 -7.911 15.587 0.745 1.00 10.00 C ATOM 502 C SER A 46 -8.430 15.184 2.123 1.00 10.00 C ATOM 503 O SER A 46 -9.282 15.871 2.695 1.00 10.00 O ATOM 504 CB SER A 46 -8.167 14.454 -0.249 1.00 10.00 C ATOM 505 OG SER A 46 -9.514 14.517 -0.697 1.00 10.00 O ATOM 0 H SER A 46 -5.880 15.175 0.391 1.00 10.00 H new ATOM 0 HA SER A 46 -8.440 16.483 0.421 1.00 10.00 H new ATOM 0 HB2 SER A 46 -7.486 14.537 -1.096 1.00 10.00 H new ATOM 0 HB3 SER A 46 -7.973 13.491 0.223 1.00 10.00 H new ATOM 0 HG SER A 46 -9.680 13.793 -1.336 1.00 10.00 H new TER 511 SER A 46 ATOM 512 N MET B 1 23.398 0.148 9.614 1.00 10.00 N ATOM 513 CA MET B 1 23.656 -1.229 9.153 1.00 10.00 C ATOM 514 C MET B 1 24.905 -1.261 8.251 1.00 10.00 C ATOM 515 O MET B 1 25.200 -0.316 7.527 1.00 10.00 O ATOM 516 CB MET B 1 22.432 -1.756 8.386 1.00 10.00 C ATOM 517 CG MET B 1 22.177 -1.042 7.049 1.00 10.00 C ATOM 518 SD MET B 1 20.729 -1.659 6.125 1.00 10.00 S ATOM 519 CE MET B 1 21.048 -0.904 4.546 1.00 10.00 C ATOM 0 H1 MET B 1 22.544 0.161 10.208 1.00 10.00 H new ATOM 0 H2 MET B 1 24.210 0.486 10.168 1.00 10.00 H new ATOM 0 H3 MET B 1 23.257 0.769 8.792 1.00 10.00 H new ATOM 0 HA MET B 1 23.836 -1.868 10.018 1.00 10.00 H new ATOM 0 HB2 MET B 1 22.565 -2.821 8.198 1.00 10.00 H new ATOM 0 HB3 MET B 1 21.549 -1.652 9.016 1.00 10.00 H new ATOM 0 HG2 MET B 1 22.043 0.023 7.240 1.00 10.00 H new ATOM 0 HG3 MET B 1 23.063 -1.145 6.422 1.00 10.00 H new ATOM 0 HE1 MET B 1 20.256 -1.174 3.847 1.00 10.00 H new ATOM 0 HE2 MET B 1 21.077 0.180 4.660 1.00 10.00 H new ATOM 0 HE3 MET B 1 22.006 -1.254 4.162 1.00 10.00 H new ATOM 531 N GLN B 2 25.632 -2.378 8.323 1.00 10.00 N ATOM 532 CA GLN B 2 26.778 -2.546 7.432 1.00 10.00 C ATOM 533 C GLN B 2 26.366 -3.364 6.206 1.00 10.00 C ATOM 534 O GLN B 2 25.504 -4.235 6.266 1.00 10.00 O ATOM 535 CB GLN B 2 27.939 -3.207 8.170 1.00 10.00 C ATOM 536 CG GLN B 2 27.804 -4.729 8.321 1.00 10.00 C ATOM 537 CD GLN B 2 29.009 -5.380 9.000 1.00 10.00 C ATOM 538 OE1 GLN B 2 30.143 -4.721 8.968 1.00 10.00 O flip ATOM 539 NE2 GLN B 2 28.937 -6.482 9.513 1.00 10.00 N flip ATOM 0 H GLN B 2 25.457 -3.152 8.964 1.00 10.00 H new ATOM 0 HA GLN B 2 27.115 -1.565 7.096 1.00 10.00 H new ATOM 0 HB2 GLN B 2 28.865 -2.987 7.639 1.00 10.00 H new ATOM 0 HB3 GLN B 2 28.026 -2.761 9.161 1.00 10.00 H new ATOM 0 HG2 GLN B 2 26.907 -4.951 8.898 1.00 10.00 H new ATOM 0 HG3 GLN B 2 27.667 -5.174 7.335 1.00 10.00 H new ATOM 0 HE21 GLN B 2 28.047 -6.980 9.529 1.00 10.00 H new ATOM 0 HE22 GLN B 2 29.767 -6.907 9.927 1.00 10.00 H new ATOM 548 N ILE B 3 26.996 -2.996 5.092 1.00 10.00 N ATOM 549 CA ILE B 3 26.873 -3.769 3.851 1.00 10.00 C ATOM 550 C ILE B 3 28.291 -3.883 3.258 1.00 10.00 C ATOM 551 O ILE B 3 29.161 -3.067 3.545 1.00 10.00 O ATOM 552 CB ILE B 3 25.836 -3.195 2.850 1.00 10.00 C ATOM 553 CG1 ILE B 3 26.339 -2.050 1.953 1.00 10.00 C ATOM 554 CG2 ILE B 3 24.487 -2.869 3.514 1.00 10.00 C ATOM 555 CD1 ILE B 3 26.727 -0.756 2.662 1.00 10.00 C ATOM 0 H ILE B 3 27.594 -2.173 5.020 1.00 10.00 H new ATOM 0 HA ILE B 3 26.470 -4.757 4.072 1.00 10.00 H new ATOM 0 HB ILE B 3 25.670 -4.019 2.156 1.00 10.00 H new ATOM 0 HG12 ILE B 3 27.205 -2.407 1.395 1.00 10.00 H new ATOM 0 HG13 ILE B 3 25.562 -1.821 1.223 1.00 10.00 H new ATOM 0 HG21 ILE B 3 23.800 -2.471 2.767 1.00 10.00 H new ATOM 0 HG22 ILE B 3 24.066 -3.776 3.947 1.00 10.00 H new ATOM 0 HG23 ILE B 3 24.638 -2.128 4.299 1.00 10.00 H new ATOM 0 HD11 ILE B 3 27.065 -0.026 1.927 1.00 10.00 H new ATOM 0 HD12 ILE B 3 25.863 -0.360 3.196 1.00 10.00 H new ATOM 0 HD13 ILE B 3 27.531 -0.956 3.371 1.00 10.00 H new ATOM 567 N PHE B 4 28.447 -4.874 2.390 1.00 10.00 N ATOM 568 CA PHE B 4 29.762 -5.155 1.793 1.00 10.00 C ATOM 569 C PHE B 4 29.733 -4.839 0.296 1.00 10.00 C ATOM 570 O PHE B 4 28.717 -5.002 -0.366 1.00 10.00 O ATOM 571 CB PHE B 4 30.113 -6.626 2.024 1.00 10.00 C ATOM 572 CG PHE B 4 29.929 -7.019 3.493 1.00 10.00 C ATOM 573 CD1 PHE B 4 30.860 -6.626 4.448 1.00 10.00 C ATOM 574 CD2 PHE B 4 28.790 -7.716 3.873 1.00 10.00 C ATOM 575 CE1 PHE B 4 30.649 -6.941 5.783 1.00 10.00 C ATOM 576 CE2 PHE B 4 28.585 -8.037 5.208 1.00 10.00 C ATOM 577 CZ PHE B 4 29.516 -7.651 6.164 1.00 10.00 C ATOM 0 H PHE B 4 27.697 -5.493 2.082 1.00 10.00 H new ATOM 0 HA PHE B 4 30.521 -4.528 2.261 1.00 10.00 H new ATOM 0 HB2 PHE B 4 29.483 -7.255 1.396 1.00 10.00 H new ATOM 0 HB3 PHE B 4 31.145 -6.807 1.724 1.00 10.00 H new ATOM 0 HD1 PHE B 4 31.743 -6.078 4.152 1.00 10.00 H new ATOM 0 HD2 PHE B 4 28.063 -8.009 3.130 1.00 10.00 H new ATOM 0 HE1 PHE B 4 31.367 -6.634 6.529 1.00 10.00 H new ATOM 0 HE2 PHE B 4 27.703 -8.586 5.503 1.00 10.00 H new ATOM 0 HZ PHE B 4 29.360 -7.902 7.203 1.00 10.00 H new ATOM 587 N VAL B 5 30.824 -4.242 -0.164 1.00 10.00 N ATOM 588 CA VAL B 5 31.011 -3.900 -1.586 1.00 10.00 C ATOM 589 C VAL B 5 32.283 -4.606 -2.062 1.00 10.00 C ATOM 590 O VAL B 5 33.392 -4.236 -1.711 1.00 10.00 O ATOM 591 CB VAL B 5 31.102 -2.374 -1.803 1.00 10.00 C ATOM 592 CG1 VAL B 5 31.321 -2.027 -3.280 1.00 10.00 C ATOM 593 CG2 VAL B 5 29.834 -1.664 -1.323 1.00 10.00 C ATOM 0 H VAL B 5 31.610 -3.977 0.430 1.00 10.00 H new ATOM 0 HA VAL B 5 30.150 -4.233 -2.165 1.00 10.00 H new ATOM 0 HB VAL B 5 31.956 -2.032 -1.219 1.00 10.00 H new ATOM 0 HG11 VAL B 5 31.380 -0.945 -3.395 1.00 10.00 H new ATOM 0 HG12 VAL B 5 32.250 -2.480 -3.626 1.00 10.00 H new ATOM 0 HG13 VAL B 5 30.489 -2.410 -3.871 1.00 10.00 H new ATOM 0 HG21 VAL B 5 29.932 -0.591 -1.491 1.00 10.00 H new ATOM 0 HG22 VAL B 5 28.974 -2.041 -1.877 1.00 10.00 H new ATOM 0 HG23 VAL B 5 29.692 -1.853 -0.259 1.00 10.00 H new ATOM 603 N LYS B 6 32.049 -5.717 -2.760 1.00 10.00 N ATOM 604 CA LYS B 6 33.141 -6.498 -3.344 1.00 10.00 C ATOM 605 C LYS B 6 33.650 -5.826 -4.620 1.00 10.00 C ATOM 606 O LYS B 6 32.896 -5.430 -5.500 1.00 10.00 O ATOM 607 CB LYS B 6 32.614 -7.874 -3.721 1.00 10.00 C ATOM 608 CG LYS B 6 32.223 -8.732 -2.513 1.00 10.00 C ATOM 609 CD LYS B 6 31.611 -10.053 -2.992 1.00 10.00 C ATOM 610 CE LYS B 6 32.592 -10.846 -3.866 1.00 10.00 C ATOM 611 NZ LYS B 6 31.917 -11.947 -4.561 1.00 10.00 N ATOM 0 H LYS B 6 31.118 -6.096 -2.935 1.00 10.00 H new ATOM 0 HA LYS B 6 33.950 -6.571 -2.617 1.00 10.00 H new ATOM 0 HB2 LYS B 6 31.746 -7.756 -4.369 1.00 10.00 H new ATOM 0 HB3 LYS B 6 33.374 -8.400 -4.299 1.00 10.00 H new ATOM 0 HG2 LYS B 6 33.100 -8.929 -1.896 1.00 10.00 H new ATOM 0 HG3 LYS B 6 31.509 -8.195 -1.889 1.00 10.00 H new ATOM 0 HD2 LYS B 6 31.322 -10.655 -2.130 1.00 10.00 H new ATOM 0 HD3 LYS B 6 30.702 -9.849 -3.557 1.00 10.00 H new ATOM 0 HE2 LYS B 6 33.052 -10.180 -4.596 1.00 10.00 H new ATOM 0 HE3 LYS B 6 33.396 -11.243 -3.246 1.00 10.00 H new ATOM 0 HZ1 LYS B 6 32.626 -12.618 -4.919 1.00 10.00 H new ATOM 0 HZ2 LYS B 6 31.280 -12.436 -3.900 1.00 10.00 H new ATOM 0 HZ3 LYS B 6 31.365 -11.569 -5.357 1.00 10.00 H new ATOM 625 N THR B 7 34.981 -5.751 -4.690 1.00 10.00 N ATOM 626 CA THR B 7 35.648 -5.279 -5.912 1.00 10.00 C ATOM 627 C THR B 7 36.210 -6.513 -6.630 1.00 10.00 C ATOM 628 O THR B 7 36.365 -7.589 -6.056 1.00 10.00 O ATOM 629 CB THR B 7 36.767 -4.270 -5.604 1.00 10.00 C ATOM 630 OG1 THR B 7 37.833 -4.956 -4.961 1.00 10.00 O ATOM 631 CG2 THR B 7 36.297 -3.111 -4.718 1.00 10.00 C ATOM 0 H THR B 7 35.612 -6.006 -3.930 1.00 10.00 H new ATOM 0 HA THR B 7 34.931 -4.754 -6.543 1.00 10.00 H new ATOM 0 HB THR B 7 37.091 -3.834 -6.549 1.00 10.00 H new ATOM 0 HG1 THR B 7 38.597 -5.020 -5.572 1.00 10.00 H new ATOM 0 HG21 THR B 7 37.130 -2.432 -4.535 1.00 10.00 H new ATOM 0 HG22 THR B 7 35.493 -2.572 -5.220 1.00 10.00 H new ATOM 0 HG23 THR B 7 35.933 -3.503 -3.768 1.00 10.00 H new ATOM 639 N LEU B 8 36.585 -6.310 -7.888 1.00 10.00 N ATOM 640 CA LEU B 8 37.025 -7.417 -8.756 1.00 10.00 C ATOM 641 C LEU B 8 38.460 -7.899 -8.494 1.00 10.00 C ATOM 642 O LEU B 8 38.855 -8.976 -8.931 1.00 10.00 O ATOM 643 CB LEU B 8 36.767 -7.055 -10.220 1.00 10.00 C ATOM 644 CG LEU B 8 35.300 -6.645 -10.443 1.00 10.00 C ATOM 645 CD1 LEU B 8 35.070 -6.312 -11.915 1.00 10.00 C ATOM 646 CD2 LEU B 8 34.291 -7.702 -9.967 1.00 10.00 C ATOM 0 H LEU B 8 36.596 -5.394 -8.337 1.00 10.00 H new ATOM 0 HA LEU B 8 36.421 -8.288 -8.501 1.00 10.00 H new ATOM 0 HB2 LEU B 8 37.425 -6.238 -10.516 1.00 10.00 H new ATOM 0 HB3 LEU B 8 37.010 -7.906 -10.856 1.00 10.00 H new ATOM 0 HG LEU B 8 35.125 -5.761 -9.831 1.00 10.00 H new ATOM 0 HD11 LEU B 8 34.030 -6.023 -12.064 1.00 10.00 H new ATOM 0 HD12 LEU B 8 35.721 -5.488 -12.208 1.00 10.00 H new ATOM 0 HD13 LEU B 8 35.295 -7.187 -12.525 1.00 10.00 H new ATOM 0 HD21 LEU B 8 33.277 -7.348 -10.154 1.00 10.00 H new ATOM 0 HD22 LEU B 8 34.456 -8.633 -10.509 1.00 10.00 H new ATOM 0 HD23 LEU B 8 34.423 -7.876 -8.899 1.00 10.00 H new ATOM 658 N THR B 9 39.213 -7.061 -7.789 1.00 10.00 N ATOM 659 CA THR B 9 40.516 -7.455 -7.211 1.00 10.00 C ATOM 660 C THR B 9 40.337 -8.595 -6.197 1.00 10.00 C ATOM 661 O THR B 9 41.191 -9.477 -6.099 1.00 10.00 O ATOM 662 CB THR B 9 41.216 -6.271 -6.529 1.00 10.00 C ATOM 663 OG1 THR B 9 40.328 -5.623 -5.611 1.00 10.00 O ATOM 664 CG2 THR B 9 41.755 -5.272 -7.554 1.00 10.00 C ATOM 0 H THR B 9 38.950 -6.094 -7.597 1.00 10.00 H new ATOM 0 HA THR B 9 41.142 -7.796 -8.035 1.00 10.00 H new ATOM 0 HB THR B 9 42.067 -6.664 -5.972 1.00 10.00 H new ATOM 0 HG1 THR B 9 40.790 -4.872 -5.184 1.00 10.00 H new ATOM 0 HG21 THR B 9 42.244 -4.447 -7.036 1.00 10.00 H new ATOM 0 HG22 THR B 9 42.475 -5.770 -8.204 1.00 10.00 H new ATOM 0 HG23 THR B 9 40.931 -4.886 -8.154 1.00 10.00 H new ATOM 672 N GLY B 10 39.199 -8.564 -5.494 1.00 10.00 N ATOM 673 CA GLY B 10 38.854 -9.563 -4.470 1.00 10.00 C ATOM 674 C GLY B 10 38.607 -8.912 -3.104 1.00 10.00 C ATOM 675 O GLY B 10 37.925 -9.489 -2.257 1.00 10.00 O ATOM 0 H GLY B 10 38.487 -7.844 -5.618 1.00 10.00 H new ATOM 0 HA2 GLY B 10 37.963 -10.109 -4.780 1.00 10.00 H new ATOM 0 HA3 GLY B 10 39.661 -10.291 -4.386 1.00 10.00 H new ATOM 679 N LYS B 11 39.196 -7.738 -2.899 1.00 10.00 N ATOM 680 CA LYS B 11 39.013 -6.960 -1.656 1.00 10.00 C ATOM 681 C LYS B 11 37.519 -6.619 -1.478 1.00 10.00 C ATOM 682 O LYS B 11 36.780 -6.424 -2.440 1.00 10.00 O ATOM 683 CB LYS B 11 39.842 -5.676 -1.710 1.00 10.00 C ATOM 684 CG LYS B 11 40.038 -5.093 -0.300 1.00 10.00 C ATOM 685 CD LYS B 11 39.778 -3.585 -0.239 1.00 10.00 C ATOM 686 CE LYS B 11 40.819 -2.737 -0.976 1.00 10.00 C ATOM 687 NZ LYS B 11 42.111 -2.722 -0.276 1.00 10.00 N ATOM 0 H LYS B 11 39.812 -7.292 -3.579 1.00 10.00 H new ATOM 0 HA LYS B 11 39.350 -7.555 -0.808 1.00 10.00 H new ATOM 0 HB2 LYS B 11 40.812 -5.883 -2.161 1.00 10.00 H new ATOM 0 HB3 LYS B 11 39.345 -4.943 -2.346 1.00 10.00 H new ATOM 0 HG2 LYS B 11 39.368 -5.601 0.394 1.00 10.00 H new ATOM 0 HG3 LYS B 11 41.056 -5.295 0.033 1.00 10.00 H new ATOM 0 HD2 LYS B 11 38.794 -3.380 -0.661 1.00 10.00 H new ATOM 0 HD3 LYS B 11 39.747 -3.275 0.806 1.00 10.00 H new ATOM 0 HE2 LYS B 11 40.957 -3.128 -1.984 1.00 10.00 H new ATOM 0 HE3 LYS B 11 40.450 -1.717 -1.077 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 42.787 -2.137 -0.808 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 41.985 -2.325 0.677 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 42.477 -3.693 -0.201 1.00 10.00 H new ATOM 701 N THR B 12 37.127 -6.537 -0.210 1.00 10.00 N ATOM 702 CA THR B 12 35.745 -6.197 0.174 1.00 10.00 C ATOM 703 C THR B 12 35.775 -4.940 1.048 1.00 10.00 C ATOM 704 O THR B 12 36.433 -4.891 2.076 1.00 10.00 O ATOM 705 CB THR B 12 35.102 -7.370 0.934 1.00 10.00 C ATOM 706 OG1 THR B 12 35.048 -8.503 0.068 1.00 10.00 O ATOM 707 CG2 THR B 12 33.689 -7.061 1.444 1.00 10.00 C ATOM 0 H THR B 12 37.748 -6.702 0.582 1.00 10.00 H new ATOM 0 HA THR B 12 35.147 -6.006 -0.717 1.00 10.00 H new ATOM 0 HB THR B 12 35.720 -7.564 1.811 1.00 10.00 H new ATOM 0 HG1 THR B 12 34.641 -9.258 0.542 1.00 10.00 H new ATOM 0 HG21 THR B 12 33.294 -7.930 1.970 1.00 10.00 H new ATOM 0 HG22 THR B 12 33.726 -6.210 2.124 1.00 10.00 H new ATOM 0 HG23 THR B 12 33.042 -6.823 0.600 1.00 10.00 H new ATOM 715 N ILE B 13 34.933 -3.988 0.644 1.00 10.00 N ATOM 716 CA ILE B 13 34.747 -2.738 1.396 1.00 10.00 C ATOM 717 C ILE B 13 33.545 -2.956 2.327 1.00 10.00 C ATOM 718 O ILE B 13 32.494 -3.409 1.894 1.00 10.00 O ATOM 719 CB ILE B 13 34.423 -1.548 0.462 1.00 10.00 C ATOM 720 CG1 ILE B 13 35.095 -1.603 -0.922 1.00 10.00 C ATOM 721 CG2 ILE B 13 34.730 -0.219 1.169 1.00 10.00 C ATOM 722 CD1 ILE B 13 36.620 -1.767 -0.926 1.00 10.00 C ATOM 0 H ILE B 13 34.366 -4.055 -0.201 1.00 10.00 H new ATOM 0 HA ILE B 13 35.664 -2.502 1.935 1.00 10.00 H new ATOM 0 HB ILE B 13 33.356 -1.624 0.254 1.00 10.00 H new ATOM 0 HG12 ILE B 13 34.660 -2.431 -1.482 1.00 10.00 H new ATOM 0 HG13 ILE B 13 34.847 -0.688 -1.460 1.00 10.00 H new ATOM 0 HG21 ILE B 13 34.498 0.611 0.501 1.00 10.00 H new ATOM 0 HG22 ILE B 13 34.124 -0.139 2.072 1.00 10.00 H new ATOM 0 HG23 ILE B 13 35.786 -0.185 1.437 1.00 10.00 H new ATOM 0 HD11 ILE B 13 36.980 -1.793 -1.954 1.00 10.00 H new ATOM 0 HD12 ILE B 13 37.078 -0.928 -0.402 1.00 10.00 H new ATOM 0 HD13 ILE B 13 36.887 -2.697 -0.424 1.00 10.00 H new ATOM 734 N THR B 14 33.737 -2.599 3.595 1.00 10.00 N ATOM 735 CA THR B 14 32.621 -2.581 4.558 1.00 10.00 C ATOM 736 C THR B 14 32.204 -1.122 4.750 1.00 10.00 C ATOM 737 O THR B 14 33.029 -0.254 5.025 1.00 10.00 O ATOM 738 CB THR B 14 33.035 -3.202 5.899 1.00 10.00 C ATOM 739 OG1 THR B 14 33.437 -4.558 5.688 1.00 10.00 O ATOM 740 CG2 THR B 14 31.898 -3.170 6.922 1.00 10.00 C ATOM 0 H THR B 14 34.639 -2.321 3.983 1.00 10.00 H new ATOM 0 HA THR B 14 31.789 -3.173 4.176 1.00 10.00 H new ATOM 0 HB THR B 14 33.861 -2.612 6.297 1.00 10.00 H new ATOM 0 HG1 THR B 14 32.643 -5.129 5.631 1.00 10.00 H new ATOM 0 HG21 THR B 14 32.236 -3.620 7.856 1.00 10.00 H new ATOM 0 HG22 THR B 14 31.601 -2.137 7.103 1.00 10.00 H new ATOM 0 HG23 THR B 14 31.046 -3.730 6.537 1.00 10.00 H new ATOM 748 N LEU B 15 30.896 -0.910 4.636 1.00 10.00 N ATOM 749 CA LEU B 15 30.307 0.425 4.832 1.00 10.00 C ATOM 750 C LEU B 15 29.216 0.403 5.906 1.00 10.00 C ATOM 751 O LEU B 15 28.475 -0.563 6.028 1.00 10.00 O ATOM 752 CB LEU B 15 29.713 0.930 3.514 1.00 10.00 C ATOM 753 CG LEU B 15 30.736 1.055 2.381 1.00 10.00 C ATOM 754 CD1 LEU B 15 30.005 1.355 1.075 1.00 10.00 C ATOM 755 CD2 LEU B 15 31.753 2.164 2.671 1.00 10.00 C ATOM 0 H LEU B 15 30.219 -1.639 4.410 1.00 10.00 H new ATOM 0 HA LEU B 15 31.100 1.095 5.163 1.00 10.00 H new ATOM 0 HB2 LEU B 15 28.919 0.252 3.201 1.00 10.00 H new ATOM 0 HB3 LEU B 15 29.252 1.903 3.684 1.00 10.00 H new ATOM 0 HG LEU B 15 31.279 0.113 2.299 1.00 10.00 H new ATOM 0 HD11 LEU B 15 30.729 1.445 0.265 1.00 10.00 H new ATOM 0 HD12 LEU B 15 29.310 0.545 0.852 1.00 10.00 H new ATOM 0 HD13 LEU B 15 29.453 2.290 1.173 1.00 10.00 H new ATOM 0 HD21 LEU B 15 32.466 2.228 1.849 1.00 10.00 H new ATOM 0 HD22 LEU B 15 31.233 3.116 2.776 1.00 10.00 H new ATOM 0 HD23 LEU B 15 32.285 1.937 3.595 1.00 10.00 H new ATOM 767 N GLU B 16 29.175 1.501 6.659 1.00 10.00 N ATOM 768 CA GLU B 16 28.095 1.787 7.621 1.00 10.00 C ATOM 769 C GLU B 16 27.124 2.769 6.961 1.00 10.00 C ATOM 770 O GLU B 16 27.462 3.911 6.685 1.00 10.00 O ATOM 771 CB GLU B 16 28.688 2.398 8.897 1.00 10.00 C ATOM 772 CG GLU B 16 27.619 2.771 9.933 1.00 10.00 C ATOM 773 CD GLU B 16 26.781 1.573 10.392 1.00 10.00 C ATOM 774 OE1 GLU B 16 27.363 0.486 10.595 1.00 10.00 O ATOM 775 OE2 GLU B 16 25.558 1.779 10.544 1.00 10.00 O ATOM 0 H GLU B 16 29.892 2.226 6.624 1.00 10.00 H new ATOM 0 HA GLU B 16 27.570 0.871 7.894 1.00 10.00 H new ATOM 0 HB2 GLU B 16 29.387 1.690 9.342 1.00 10.00 H new ATOM 0 HB3 GLU B 16 29.260 3.288 8.636 1.00 10.00 H new ATOM 0 HG2 GLU B 16 28.103 3.221 10.800 1.00 10.00 H new ATOM 0 HG3 GLU B 16 26.959 3.527 9.508 1.00 10.00 H new ATOM 782 N VAL B 17 25.935 2.241 6.654 1.00 10.00 N ATOM 783 CA VAL B 17 24.919 2.995 5.907 1.00 10.00 C ATOM 784 C VAL B 17 23.537 2.921 6.586 1.00 10.00 C ATOM 785 O VAL B 17 23.311 2.209 7.553 1.00 10.00 O ATOM 786 CB VAL B 17 24.833 2.490 4.452 1.00 10.00 C ATOM 787 CG1 VAL B 17 26.159 2.649 3.701 1.00 10.00 C ATOM 788 CG2 VAL B 17 24.318 1.049 4.380 1.00 10.00 C ATOM 0 H VAL B 17 25.651 1.295 6.910 1.00 10.00 H new ATOM 0 HA VAL B 17 25.226 4.041 5.900 1.00 10.00 H new ATOM 0 HB VAL B 17 24.105 3.124 3.946 1.00 10.00 H new ATOM 0 HG11 VAL B 17 26.047 2.279 2.682 1.00 10.00 H new ATOM 0 HG12 VAL B 17 26.439 3.702 3.676 1.00 10.00 H new ATOM 0 HG13 VAL B 17 26.936 2.079 4.210 1.00 10.00 H new ATOM 0 HG21 VAL B 17 24.272 0.731 3.339 1.00 10.00 H new ATOM 0 HG22 VAL B 17 24.993 0.393 4.930 1.00 10.00 H new ATOM 0 HG23 VAL B 17 23.322 0.996 4.820 1.00 10.00 H new ATOM 798 N GLU B 18 22.616 3.648 5.976 1.00 10.00 N ATOM 799 CA GLU B 18 21.176 3.587 6.265 1.00 10.00 C ATOM 800 C GLU B 18 20.445 3.220 4.968 1.00 10.00 C ATOM 801 O GLU B 18 20.865 3.631 3.892 1.00 10.00 O ATOM 802 CB GLU B 18 20.701 4.956 6.767 1.00 10.00 C ATOM 803 CG GLU B 18 21.363 5.362 8.093 1.00 10.00 C ATOM 804 CD GLU B 18 21.149 4.361 9.240 1.00 10.00 C ATOM 805 OE1 GLU B 18 20.144 3.618 9.193 1.00 10.00 O ATOM 806 OE2 GLU B 18 21.998 4.374 10.157 1.00 10.00 O ATOM 0 H GLU B 18 22.847 4.319 5.243 1.00 10.00 H new ATOM 0 HA GLU B 18 20.969 2.841 7.032 1.00 10.00 H new ATOM 0 HB2 GLU B 18 20.917 5.711 6.011 1.00 10.00 H new ATOM 0 HB3 GLU B 18 19.619 4.936 6.897 1.00 10.00 H new ATOM 0 HG2 GLU B 18 22.434 5.485 7.928 1.00 10.00 H new ATOM 0 HG3 GLU B 18 20.974 6.334 8.397 1.00 10.00 H new ATOM 813 N SER B 19 19.277 2.582 5.109 1.00 10.00 N ATOM 814 CA SER B 19 18.421 2.249 3.946 1.00 10.00 C ATOM 815 C SER B 19 17.992 3.492 3.154 1.00 10.00 C ATOM 816 O SER B 19 17.838 3.450 1.933 1.00 10.00 O ATOM 817 CB SER B 19 17.154 1.511 4.382 1.00 10.00 C ATOM 818 OG SER B 19 17.507 0.282 5.017 1.00 10.00 O ATOM 0 H SER B 19 18.898 2.284 6.008 1.00 10.00 H new ATOM 0 HA SER B 19 19.033 1.612 3.307 1.00 10.00 H new ATOM 0 HB2 SER B 19 16.577 2.133 5.067 1.00 10.00 H new ATOM 0 HB3 SER B 19 16.520 1.316 3.517 1.00 10.00 H new ATOM 0 HG SER B 19 16.693 -0.187 5.297 1.00 10.00 H new ATOM 824 N SER B 20 17.877 4.606 3.877 1.00 10.00 N ATOM 825 CA SER B 20 17.548 5.931 3.316 1.00 10.00 C ATOM 826 C SER B 20 18.670 6.586 2.495 1.00 10.00 C ATOM 827 O SER B 20 18.418 7.553 1.781 1.00 10.00 O ATOM 828 CB SER B 20 17.091 6.880 4.428 1.00 10.00 C ATOM 829 OG SER B 20 18.054 6.907 5.490 1.00 10.00 O ATOM 0 H SER B 20 18.011 4.621 4.888 1.00 10.00 H new ATOM 0 HA SER B 20 16.739 5.748 2.609 1.00 10.00 H new ATOM 0 HB2 SER B 20 16.956 7.884 4.025 1.00 10.00 H new ATOM 0 HB3 SER B 20 16.124 6.559 4.814 1.00 10.00 H new ATOM 0 HG SER B 20 17.749 7.519 6.192 1.00 10.00 H new ATOM 835 N ASP B 21 19.882 6.038 2.565 1.00 10.00 N ATOM 836 CA ASP B 21 21.019 6.574 1.788 1.00 10.00 C ATOM 837 C ASP B 21 20.784 6.423 0.288 1.00 10.00 C ATOM 838 O ASP B 21 20.399 5.366 -0.199 1.00 10.00 O ATOM 839 CB ASP B 21 22.330 5.881 2.163 1.00 10.00 C ATOM 840 CG ASP B 21 22.798 6.239 3.579 1.00 10.00 C ATOM 841 OD1 ASP B 21 22.382 7.295 4.102 1.00 10.00 O ATOM 842 OD2 ASP B 21 23.651 5.483 4.082 1.00 10.00 O ATOM 0 H ASP B 21 20.110 5.230 3.144 1.00 10.00 H new ATOM 0 HA ASP B 21 21.096 7.633 2.034 1.00 10.00 H new ATOM 0 HB2 ASP B 21 22.201 4.801 2.088 1.00 10.00 H new ATOM 0 HB3 ASP B 21 23.103 6.160 1.447 1.00 10.00 H new ATOM 847 N THR B 22 21.014 7.544 -0.402 1.00 10.00 N ATOM 848 CA THR B 22 20.980 7.571 -1.874 1.00 10.00 C ATOM 849 C THR B 22 22.198 6.789 -2.391 1.00 10.00 C ATOM 850 O THR B 22 23.229 6.707 -1.737 1.00 10.00 O ATOM 851 CB THR B 22 21.009 9.008 -2.425 1.00 10.00 C ATOM 852 OG1 THR B 22 22.268 9.622 -2.131 1.00 10.00 O ATOM 853 CG2 THR B 22 19.845 9.849 -1.889 1.00 10.00 C ATOM 0 H THR B 22 21.225 8.444 0.030 1.00 10.00 H new ATOM 0 HA THR B 22 20.049 7.118 -2.215 1.00 10.00 H new ATOM 0 HB THR B 22 20.889 8.956 -3.507 1.00 10.00 H new ATOM 0 HG1 THR B 22 22.278 10.535 -2.487 1.00 10.00 H new ATOM 0 HG21 THR B 22 19.903 10.856 -2.302 1.00 10.00 H new ATOM 0 HG22 THR B 22 18.900 9.391 -2.181 1.00 10.00 H new ATOM 0 HG23 THR B 22 19.903 9.899 -0.802 1.00 10.00 H new ATOM 861 N ILE B 23 22.061 6.247 -3.605 1.00 10.00 N ATOM 862 CA ILE B 23 23.174 5.531 -4.266 1.00 10.00 C ATOM 863 C ILE B 23 24.398 6.441 -4.447 1.00 10.00 C ATOM 864 O ILE B 23 25.524 6.046 -4.140 1.00 10.00 O ATOM 865 CB ILE B 23 22.698 4.943 -5.611 1.00 10.00 C ATOM 866 CG1 ILE B 23 21.553 3.940 -5.400 1.00 10.00 C ATOM 867 CG2 ILE B 23 23.832 4.335 -6.452 1.00 10.00 C ATOM 868 CD1 ILE B 23 21.863 2.768 -4.459 1.00 10.00 C ATOM 0 H ILE B 23 21.201 6.286 -4.152 1.00 10.00 H new ATOM 0 HA ILE B 23 23.486 4.708 -3.624 1.00 10.00 H new ATOM 0 HB ILE B 23 22.319 5.783 -6.193 1.00 10.00 H new ATOM 0 HG12 ILE B 23 20.690 4.478 -5.008 1.00 10.00 H new ATOM 0 HG13 ILE B 23 21.264 3.537 -6.370 1.00 10.00 H new ATOM 0 HG21 ILE B 23 23.424 3.941 -7.383 1.00 10.00 H new ATOM 0 HG22 ILE B 23 24.571 5.104 -6.677 1.00 10.00 H new ATOM 0 HG23 ILE B 23 24.306 3.528 -5.894 1.00 10.00 H new ATOM 0 HD11 ILE B 23 20.988 2.123 -4.381 1.00 10.00 H new ATOM 0 HD12 ILE B 23 22.702 2.196 -4.855 1.00 10.00 H new ATOM 0 HD13 ILE B 23 22.119 3.152 -3.472 1.00 10.00 H new ATOM 880 N ASP B 24 24.117 7.692 -4.800 1.00 10.00 N ATOM 881 CA ASP B 24 25.157 8.730 -4.928 1.00 10.00 C ATOM 882 C ASP B 24 25.925 8.919 -3.608 1.00 10.00 C ATOM 883 O ASP B 24 27.150 9.017 -3.605 1.00 10.00 O ATOM 884 CB ASP B 24 24.505 10.047 -5.365 1.00 10.00 C ATOM 885 CG ASP B 24 25.541 11.165 -5.509 1.00 10.00 C ATOM 886 OD1 ASP B 24 26.430 11.007 -6.370 1.00 10.00 O ATOM 887 OD2 ASP B 24 25.415 12.131 -4.729 1.00 10.00 O ATOM 0 H ASP B 24 23.174 8.021 -5.006 1.00 10.00 H new ATOM 0 HA ASP B 24 25.878 8.412 -5.681 1.00 10.00 H new ATOM 0 HB2 ASP B 24 23.990 9.902 -6.315 1.00 10.00 H new ATOM 0 HB3 ASP B 24 23.750 10.340 -4.635 1.00 10.00 H new ATOM 892 N ASN B 25 25.177 8.892 -2.505 1.00 10.00 N ATOM 893 CA ASN B 25 25.734 9.000 -1.147 1.00 10.00 C ATOM 894 C ASN B 25 26.645 7.809 -0.801 1.00 10.00 C ATOM 895 O ASN B 25 27.714 7.991 -0.224 1.00 10.00 O ATOM 896 CB ASN B 25 24.575 9.099 -0.153 1.00 10.00 C ATOM 897 CG ASN B 25 25.040 9.135 1.294 1.00 10.00 C ATOM 898 OD1 ASN B 25 24.508 8.224 2.064 1.00 10.00 O flip ATOM 899 ND2 ASN B 25 25.868 9.933 1.715 1.00 10.00 N flip ATOM 0 H ASN B 25 24.162 8.794 -2.523 1.00 10.00 H new ATOM 0 HA ASN B 25 26.355 9.894 -1.092 1.00 10.00 H new ATOM 0 HB2 ASN B 25 23.996 9.997 -0.366 1.00 10.00 H new ATOM 0 HB3 ASN B 25 23.908 8.249 -0.294 1.00 10.00 H new ATOM 0 HD21 ASN B 25 26.266 10.633 1.089 1.00 10.00 H new ATOM 0 HD22 ASN B 25 26.160 9.897 2.692 1.00 10.00 H new ATOM 906 N VAL B 26 26.242 6.614 -1.234 1.00 10.00 N ATOM 907 CA VAL B 26 27.046 5.382 -1.070 1.00 10.00 C ATOM 908 C VAL B 26 28.369 5.493 -1.842 1.00 10.00 C ATOM 909 O VAL B 26 29.435 5.236 -1.295 1.00 10.00 O ATOM 910 CB VAL B 26 26.244 4.142 -1.513 1.00 10.00 C ATOM 911 CG1 VAL B 26 27.087 2.858 -1.550 1.00 10.00 C ATOM 912 CG2 VAL B 26 25.072 3.906 -0.560 1.00 10.00 C ATOM 0 H VAL B 26 25.352 6.463 -1.709 1.00 10.00 H new ATOM 0 HA VAL B 26 27.283 5.264 -0.013 1.00 10.00 H new ATOM 0 HB VAL B 26 25.899 4.354 -2.525 1.00 10.00 H new ATOM 0 HG11 VAL B 26 26.464 2.023 -1.869 1.00 10.00 H new ATOM 0 HG12 VAL B 26 27.912 2.984 -2.251 1.00 10.00 H new ATOM 0 HG13 VAL B 26 27.484 2.655 -0.556 1.00 10.00 H new ATOM 0 HG21 VAL B 26 24.512 3.028 -0.882 1.00 10.00 H new ATOM 0 HG22 VAL B 26 25.451 3.745 0.449 1.00 10.00 H new ATOM 0 HG23 VAL B 26 24.416 4.777 -0.567 1.00 10.00 H new ATOM 922 N LYS B 27 28.275 5.891 -3.110 1.00 10.00 N ATOM 923 CA LYS B 27 29.452 6.048 -3.985 1.00 10.00 C ATOM 924 C LYS B 27 30.467 7.054 -3.417 1.00 10.00 C ATOM 925 O LYS B 27 31.674 6.813 -3.446 1.00 10.00 O ATOM 926 CB LYS B 27 29.021 6.482 -5.386 1.00 10.00 C ATOM 927 CG LYS B 27 28.234 5.374 -6.085 1.00 10.00 C ATOM 928 CD LYS B 27 27.820 5.809 -7.488 1.00 10.00 C ATOM 929 CE LYS B 27 27.090 4.666 -8.193 1.00 10.00 C ATOM 930 NZ LYS B 27 26.641 5.080 -9.528 1.00 10.00 N ATOM 0 H LYS B 27 27.389 6.114 -3.564 1.00 10.00 H new ATOM 0 HA LYS B 27 29.943 5.076 -4.039 1.00 10.00 H new ATOM 0 HB2 LYS B 27 28.409 7.381 -5.320 1.00 10.00 H new ATOM 0 HB3 LYS B 27 29.900 6.738 -5.978 1.00 10.00 H new ATOM 0 HG2 LYS B 27 28.842 4.471 -6.143 1.00 10.00 H new ATOM 0 HG3 LYS B 27 27.349 5.125 -5.500 1.00 10.00 H new ATOM 0 HD2 LYS B 27 27.173 6.685 -7.431 1.00 10.00 H new ATOM 0 HD3 LYS B 27 28.700 6.099 -8.062 1.00 10.00 H new ATOM 0 HE2 LYS B 27 27.751 3.804 -8.278 1.00 10.00 H new ATOM 0 HE3 LYS B 27 26.233 4.353 -7.597 1.00 10.00 H new ATOM 0 HZ1 LYS B 27 25.748 4.600 -9.758 1.00 10.00 H new ATOM 0 HZ2 LYS B 27 26.494 6.110 -9.541 1.00 10.00 H new ATOM 0 HZ3 LYS B 27 27.363 4.824 -10.232 1.00 10.00 H new ATOM 944 N SER B 28 29.933 8.102 -2.788 1.00 10.00 N ATOM 945 CA SER B 28 30.733 9.089 -2.034 1.00 10.00 C ATOM 946 C SER B 28 31.435 8.460 -0.815 1.00 10.00 C ATOM 947 O SER B 28 32.632 8.649 -0.610 1.00 10.00 O ATOM 948 CB SER B 28 29.847 10.248 -1.574 1.00 10.00 C ATOM 949 OG SER B 28 30.667 11.237 -0.952 1.00 10.00 O ATOM 0 H SER B 28 28.932 8.297 -2.783 1.00 10.00 H new ATOM 0 HA SER B 28 31.505 9.459 -2.709 1.00 10.00 H new ATOM 0 HB2 SER B 28 29.317 10.678 -2.424 1.00 10.00 H new ATOM 0 HB3 SER B 28 29.091 9.890 -0.875 1.00 10.00 H new ATOM 0 HG SER B 28 30.108 11.985 -0.655 1.00 10.00 H new ATOM 955 N LYS B 29 30.730 7.548 -0.143 1.00 10.00 N ATOM 956 CA LYS B 29 31.295 6.744 0.965 1.00 10.00 C ATOM 957 C LYS B 29 32.425 5.811 0.488 1.00 10.00 C ATOM 958 O LYS B 29 33.415 5.620 1.188 1.00 10.00 O ATOM 959 CB LYS B 29 30.222 5.890 1.652 1.00 10.00 C ATOM 960 CG LYS B 29 29.169 6.716 2.390 1.00 10.00 C ATOM 961 CD LYS B 29 28.141 5.777 3.022 1.00 10.00 C ATOM 962 CE LYS B 29 27.005 6.521 3.728 1.00 10.00 C ATOM 963 NZ LYS B 29 27.452 7.214 4.946 1.00 10.00 N ATOM 0 H LYS B 29 29.752 7.339 -0.344 1.00 10.00 H new ATOM 0 HA LYS B 29 31.700 7.465 1.675 1.00 10.00 H new ATOM 0 HB2 LYS B 29 29.728 5.270 0.904 1.00 10.00 H new ATOM 0 HB3 LYS B 29 30.704 5.214 2.359 1.00 10.00 H new ATOM 0 HG2 LYS B 29 29.642 7.326 3.159 1.00 10.00 H new ATOM 0 HG3 LYS B 29 28.677 7.400 1.699 1.00 10.00 H new ATOM 0 HD2 LYS B 29 27.721 5.134 2.249 1.00 10.00 H new ATOM 0 HD3 LYS B 29 28.643 5.127 3.739 1.00 10.00 H new ATOM 0 HE2 LYS B 29 26.569 7.247 3.041 1.00 10.00 H new ATOM 0 HE3 LYS B 29 26.217 5.813 3.986 1.00 10.00 H new ATOM 0 HZ1 LYS B 29 26.644 7.701 5.384 1.00 10.00 H new ATOM 0 HZ2 LYS B 29 27.844 6.521 5.616 1.00 10.00 H new ATOM 0 HZ3 LYS B 29 28.184 7.910 4.700 1.00 10.00 H new ATOM 977 N ILE B 30 32.299 5.315 -0.746 1.00 10.00 N ATOM 978 CA ILE B 30 33.338 4.495 -1.410 1.00 10.00 C ATOM 979 C ILE B 30 34.576 5.354 -1.713 1.00 10.00 C ATOM 980 O ILE B 30 35.706 4.926 -1.500 1.00 10.00 O ATOM 981 CB ILE B 30 32.787 3.811 -2.679 1.00 10.00 C ATOM 982 CG1 ILE B 30 31.748 2.756 -2.273 1.00 10.00 C ATOM 983 CG2 ILE B 30 33.900 3.203 -3.560 1.00 10.00 C ATOM 984 CD1 ILE B 30 30.996 2.095 -3.436 1.00 10.00 C ATOM 0 H ILE B 30 31.472 5.467 -1.323 1.00 10.00 H new ATOM 0 HA ILE B 30 33.639 3.698 -0.730 1.00 10.00 H new ATOM 0 HB ILE B 30 32.308 4.572 -3.295 1.00 10.00 H new ATOM 0 HG12 ILE B 30 32.250 1.978 -1.698 1.00 10.00 H new ATOM 0 HG13 ILE B 30 31.020 3.223 -1.610 1.00 10.00 H new ATOM 0 HG21 ILE B 30 33.454 2.735 -4.438 1.00 10.00 H new ATOM 0 HG22 ILE B 30 34.585 3.990 -3.876 1.00 10.00 H new ATOM 0 HG23 ILE B 30 34.448 2.454 -2.989 1.00 10.00 H new ATOM 0 HD11 ILE B 30 30.287 1.367 -3.043 1.00 10.00 H new ATOM 0 HD12 ILE B 30 30.459 2.856 -4.001 1.00 10.00 H new ATOM 0 HD13 ILE B 30 31.708 1.592 -4.090 1.00 10.00 H new ATOM 996 N GLN B 31 34.330 6.554 -2.236 1.00 10.00 N ATOM 997 CA GLN B 31 35.399 7.535 -2.492 1.00 10.00 C ATOM 998 C GLN B 31 36.144 7.881 -1.193 1.00 10.00 C ATOM 999 O GLN B 31 37.372 7.927 -1.187 1.00 10.00 O ATOM 1000 CB GLN B 31 34.777 8.791 -3.098 1.00 10.00 C ATOM 1001 CG GLN B 31 35.846 9.819 -3.475 1.00 10.00 C ATOM 1002 CD GLN B 31 35.237 11.085 -4.063 1.00 10.00 C ATOM 1003 OE1 GLN B 31 34.126 11.509 -3.769 1.00 10.00 O ATOM 1004 NE2 GLN B 31 35.968 11.693 -4.965 1.00 10.00 N ATOM 0 H GLN B 31 33.398 6.877 -2.494 1.00 10.00 H new ATOM 0 HA GLN B 31 36.123 7.109 -3.187 1.00 10.00 H new ATOM 0 HB2 GLN B 31 34.201 8.522 -3.983 1.00 10.00 H new ATOM 0 HB3 GLN B 31 34.080 9.233 -2.386 1.00 10.00 H new ATOM 0 HG2 GLN B 31 36.431 10.075 -2.591 1.00 10.00 H new ATOM 0 HG3 GLN B 31 36.534 9.379 -4.197 1.00 10.00 H new ATOM 0 HE21 GLN B 31 36.892 11.331 -5.202 1.00 10.00 H new ATOM 0 HE22 GLN B 31 35.613 12.528 -5.430 1.00 10.00 H new ATOM 1013 N ASP B 32 35.392 7.933 -0.099 1.00 10.00 N ATOM 1014 CA ASP B 32 35.942 8.186 1.245 1.00 10.00 C ATOM 1015 C ASP B 32 36.838 7.070 1.797 1.00 10.00 C ATOM 1016 O ASP B 32 37.692 7.343 2.642 1.00 10.00 O ATOM 1017 CB ASP B 32 34.821 8.537 2.228 1.00 10.00 C ATOM 1018 CG ASP B 32 34.278 9.952 1.990 1.00 10.00 C ATOM 1019 OD1 ASP B 32 35.082 10.831 1.606 1.00 10.00 O ATOM 1020 OD2 ASP B 32 33.068 10.130 2.242 1.00 10.00 O ATOM 0 H ASP B 32 34.381 7.802 -0.110 1.00 10.00 H new ATOM 0 HA ASP B 32 36.607 9.042 1.130 1.00 10.00 H new ATOM 0 HB2 ASP B 32 34.011 7.815 2.128 1.00 10.00 H new ATOM 0 HB3 ASP B 32 35.195 8.458 3.249 1.00 10.00 H new ATOM 1025 N LYS B 33 36.643 5.843 1.323 1.00 10.00 N ATOM 1026 CA LYS B 33 37.488 4.710 1.745 1.00 10.00 C ATOM 1027 C LYS B 33 38.565 4.306 0.731 1.00 10.00 C ATOM 1028 O LYS B 33 39.698 4.025 1.102 1.00 10.00 O ATOM 1029 CB LYS B 33 36.649 3.477 2.087 1.00 10.00 C ATOM 1030 CG LYS B 33 35.904 3.631 3.418 1.00 10.00 C ATOM 1031 CD LYS B 33 35.523 2.269 4.010 1.00 10.00 C ATOM 1032 CE LYS B 33 36.766 1.482 4.442 1.00 10.00 C ATOM 1033 NZ LYS B 33 36.428 0.181 5.032 1.00 10.00 N ATOM 0 H LYS B 33 35.915 5.600 0.651 1.00 10.00 H new ATOM 0 HA LYS B 33 38.002 5.079 2.633 1.00 10.00 H new ATOM 0 HB2 LYS B 33 35.929 3.298 1.289 1.00 10.00 H new ATOM 0 HB3 LYS B 33 37.297 2.602 2.135 1.00 10.00 H new ATOM 0 HG2 LYS B 33 36.530 4.174 4.126 1.00 10.00 H new ATOM 0 HG3 LYS B 33 35.004 4.227 3.266 1.00 10.00 H new ATOM 0 HD2 LYS B 33 34.866 2.414 4.867 1.00 10.00 H new ATOM 0 HD3 LYS B 33 34.963 1.693 3.273 1.00 10.00 H new ATOM 0 HE2 LYS B 33 37.414 1.329 3.579 1.00 10.00 H new ATOM 0 HE3 LYS B 33 37.332 2.070 5.165 1.00 10.00 H new ATOM 0 HZ1 LYS B 33 36.785 0.139 6.008 1.00 10.00 H new ATOM 0 HZ2 LYS B 33 35.395 0.059 5.035 1.00 10.00 H new ATOM 0 HZ3 LYS B 33 36.864 -0.578 4.471 1.00 10.00 H new ATOM 1047 N GLU B 34 38.212 4.347 -0.550 1.00 10.00 N ATOM 1048 CA GLU B 34 39.091 3.845 -1.622 1.00 10.00 C ATOM 1049 C GLU B 34 39.790 4.938 -2.434 1.00 10.00 C ATOM 1050 O GLU B 34 40.867 4.702 -2.985 1.00 10.00 O ATOM 1051 CB GLU B 34 38.288 2.922 -2.541 1.00 10.00 C ATOM 1052 CG GLU B 34 37.895 1.621 -1.835 1.00 10.00 C ATOM 1053 CD GLU B 34 39.102 0.791 -1.375 1.00 10.00 C ATOM 1054 OE1 GLU B 34 40.098 0.739 -2.132 1.00 10.00 O ATOM 1055 OE2 GLU B 34 38.969 0.158 -0.306 1.00 10.00 O ATOM 0 H GLU B 34 37.323 4.722 -0.880 1.00 10.00 H new ATOM 0 HA GLU B 34 39.896 3.298 -1.132 1.00 10.00 H new ATOM 0 HB2 GLU B 34 37.390 3.438 -2.880 1.00 10.00 H new ATOM 0 HB3 GLU B 34 38.877 2.691 -3.429 1.00 10.00 H new ATOM 0 HG2 GLU B 34 37.275 1.858 -0.970 1.00 10.00 H new ATOM 0 HG3 GLU B 34 37.285 1.020 -2.509 1.00 10.00 H new ATOM 1062 N GLY B 35 39.122 6.087 -2.560 1.00 10.00 N ATOM 1063 CA GLY B 35 39.618 7.213 -3.372 1.00 10.00 C ATOM 1064 C GLY B 35 39.060 7.194 -4.806 1.00 10.00 C ATOM 1065 O GLY B 35 39.372 8.065 -5.611 1.00 10.00 O ATOM 0 H GLY B 35 38.226 6.268 -2.107 1.00 10.00 H new ATOM 0 HA2 GLY B 35 39.344 8.152 -2.891 1.00 10.00 H new ATOM 0 HA3 GLY B 35 40.707 7.179 -3.408 1.00 10.00 H new ATOM 1069 N ILE B 36 38.194 6.218 -5.074 1.00 10.00 N ATOM 1070 CA ILE B 36 37.545 6.040 -6.390 1.00 10.00 C ATOM 1071 C ILE B 36 36.528 7.173 -6.616 1.00 10.00 C ATOM 1072 O ILE B 36 35.576 7.306 -5.845 1.00 10.00 O ATOM 1073 CB ILE B 36 36.882 4.655 -6.530 1.00 10.00 C ATOM 1074 CG1 ILE B 36 37.909 3.541 -6.257 1.00 10.00 C ATOM 1075 CG2 ILE B 36 36.281 4.491 -7.939 1.00 10.00 C ATOM 1076 CD1 ILE B 36 37.306 2.133 -6.155 1.00 10.00 C ATOM 0 H ILE B 36 37.915 5.519 -4.385 1.00 10.00 H new ATOM 0 HA ILE B 36 38.314 6.089 -7.161 1.00 10.00 H new ATOM 0 HB ILE B 36 36.080 4.578 -5.796 1.00 10.00 H new ATOM 0 HG12 ILE B 36 38.654 3.547 -7.053 1.00 10.00 H new ATOM 0 HG13 ILE B 36 38.433 3.767 -5.328 1.00 10.00 H new ATOM 0 HG21 ILE B 36 35.816 3.509 -8.024 1.00 10.00 H new ATOM 0 HG22 ILE B 36 35.530 5.263 -8.107 1.00 10.00 H new ATOM 0 HG23 ILE B 36 37.071 4.585 -8.685 1.00 10.00 H new ATOM 0 HD11 ILE B 36 38.099 1.411 -5.962 1.00 10.00 H new ATOM 0 HD12 ILE B 36 36.583 2.105 -5.340 1.00 10.00 H new ATOM 0 HD13 ILE B 36 36.807 1.882 -7.091 1.00 10.00 H new ATOM 1088 N PRO B 37 36.674 7.885 -7.745 1.00 10.00 N ATOM 1089 CA PRO B 37 35.711 8.910 -8.179 1.00 10.00 C ATOM 1090 C PRO B 37 34.315 8.285 -8.368 1.00 10.00 C ATOM 1091 O PRO B 37 34.183 7.277 -9.063 1.00 10.00 O ATOM 1092 CB PRO B 37 36.261 9.422 -9.509 1.00 10.00 C ATOM 1093 CG PRO B 37 37.767 9.231 -9.353 1.00 10.00 C ATOM 1094 CD PRO B 37 37.869 7.900 -8.608 1.00 10.00 C ATOM 0 HA PRO B 37 35.598 9.711 -7.449 1.00 10.00 H new ATOM 0 HB2 PRO B 37 35.868 8.856 -10.353 1.00 10.00 H new ATOM 0 HB3 PRO B 37 36.002 10.467 -9.678 1.00 10.00 H new ATOM 0 HG2 PRO B 37 38.271 9.193 -10.319 1.00 10.00 H new ATOM 0 HG3 PRO B 37 38.221 10.045 -8.788 1.00 10.00 H new ATOM 0 HD2 PRO B 37 37.875 7.056 -9.297 1.00 10.00 H new ATOM 0 HD3 PRO B 37 38.786 7.839 -8.022 1.00 10.00 H new ATOM 1102 N PRO B 38 33.284 8.887 -7.749 1.00 10.00 N ATOM 1103 CA PRO B 38 31.884 8.410 -7.806 1.00 10.00 C ATOM 1104 C PRO B 38 31.325 8.273 -9.224 1.00 10.00 C ATOM 1105 O PRO B 38 30.704 7.285 -9.565 1.00 10.00 O ATOM 1106 CB PRO B 38 31.083 9.462 -7.038 1.00 10.00 C ATOM 1107 CG PRO B 38 32.091 9.990 -6.025 1.00 10.00 C ATOM 1108 CD PRO B 38 33.393 10.026 -6.826 1.00 10.00 C ATOM 0 HA PRO B 38 31.822 7.406 -7.385 1.00 10.00 H new ATOM 0 HB2 PRO B 38 30.720 10.252 -7.695 1.00 10.00 H new ATOM 0 HB3 PRO B 38 30.210 9.028 -6.550 1.00 10.00 H new ATOM 0 HG2 PRO B 38 31.815 10.979 -5.658 1.00 10.00 H new ATOM 0 HG3 PRO B 38 32.170 9.338 -5.155 1.00 10.00 H new ATOM 0 HD2 PRO B 38 33.502 10.967 -7.366 1.00 10.00 H new ATOM 0 HD3 PRO B 38 34.263 9.929 -6.176 1.00 10.00 H new ATOM 1116 N ASP B 39 31.733 9.218 -10.089 1.00 10.00 N ATOM 1117 CA ASP B 39 31.329 9.255 -11.505 1.00 10.00 C ATOM 1118 C ASP B 39 32.077 8.251 -12.406 1.00 10.00 C ATOM 1119 O ASP B 39 32.117 8.401 -13.622 1.00 10.00 O ATOM 1120 CB ASP B 39 31.478 10.700 -12.025 1.00 10.00 C ATOM 1121 CG ASP B 39 32.894 11.292 -11.920 1.00 10.00 C ATOM 1122 OD1 ASP B 39 33.626 10.920 -10.974 1.00 10.00 O ATOM 1123 OD2 ASP B 39 33.187 12.190 -12.736 1.00 10.00 O ATOM 0 H ASP B 39 32.355 9.981 -9.824 1.00 10.00 H new ATOM 0 HA ASP B 39 30.287 8.938 -11.554 1.00 10.00 H new ATOM 0 HB2 ASP B 39 31.167 10.727 -13.069 1.00 10.00 H new ATOM 0 HB3 ASP B 39 30.792 11.341 -11.471 1.00 10.00 H new ATOM 1128 N GLN B 40 32.733 7.281 -11.772 1.00 10.00 N ATOM 1129 CA GLN B 40 33.381 6.158 -12.470 1.00 10.00 C ATOM 1130 C GLN B 40 32.967 4.797 -11.866 1.00 10.00 C ATOM 1131 O GLN B 40 33.481 3.738 -12.218 1.00 10.00 O ATOM 1132 CB GLN B 40 34.895 6.364 -12.380 1.00 10.00 C ATOM 1133 CG GLN B 40 35.646 5.443 -13.350 1.00 10.00 C ATOM 1134 CD GLN B 40 37.125 5.277 -12.999 1.00 10.00 C ATOM 1135 OE1 GLN B 40 37.459 5.363 -11.729 1.00 10.00 O flip ATOM 1136 NE2 GLN B 40 37.970 5.051 -13.855 1.00 10.00 N flip ATOM 0 H GLN B 40 32.834 7.246 -10.758 1.00 10.00 H new ATOM 0 HA GLN B 40 33.064 6.139 -13.513 1.00 10.00 H new ATOM 0 HB2 GLN B 40 35.136 7.403 -12.603 1.00 10.00 H new ATOM 0 HB3 GLN B 40 35.230 6.171 -11.361 1.00 10.00 H new ATOM 0 HG2 GLN B 40 35.168 4.463 -13.354 1.00 10.00 H new ATOM 0 HG3 GLN B 40 35.562 5.844 -14.360 1.00 10.00 H new ATOM 0 HE21 GLN B 40 37.698 4.987 -14.836 1.00 10.00 H new ATOM 0 HE22 GLN B 40 38.946 4.927 -13.587 1.00 10.00 H new ATOM 1145 N GLN B 41 32.014 4.850 -10.939 1.00 10.00 N ATOM 1146 CA GLN B 41 31.513 3.659 -10.243 1.00 10.00 C ATOM 1147 C GLN B 41 30.168 3.245 -10.846 1.00 10.00 C ATOM 1148 O GLN B 41 29.293 4.068 -11.086 1.00 10.00 O ATOM 1149 CB GLN B 41 31.276 4.008 -8.773 1.00 10.00 C ATOM 1150 CG GLN B 41 32.529 4.504 -8.050 1.00 10.00 C ATOM 1151 CD GLN B 41 32.207 4.851 -6.596 1.00 10.00 C ATOM 1152 OE1 GLN B 41 31.474 4.171 -5.892 1.00 10.00 O ATOM 1153 NE2 GLN B 41 32.804 5.912 -6.108 1.00 10.00 N ATOM 0 H GLN B 41 31.565 5.718 -10.646 1.00 10.00 H new ATOM 0 HA GLN B 41 32.239 2.852 -10.341 1.00 10.00 H new ATOM 0 HB2 GLN B 41 30.504 4.775 -8.711 1.00 10.00 H new ATOM 0 HB3 GLN B 41 30.894 3.128 -8.257 1.00 10.00 H new ATOM 0 HG2 GLN B 41 33.303 3.737 -8.084 1.00 10.00 H new ATOM 0 HG3 GLN B 41 32.927 5.381 -8.560 1.00 10.00 H new ATOM 0 HE21 GLN B 41 33.414 6.473 -6.703 1.00 10.00 H new ATOM 0 HE22 GLN B 41 32.659 6.176 -5.134 1.00 10.00 H new ATOM 1162 N ARG B 42 30.066 1.939 -11.101 1.00 10.00 N ATOM 1163 CA ARG B 42 28.805 1.296 -11.510 1.00 10.00 C ATOM 1164 C ARG B 42 28.490 0.180 -10.511 1.00 10.00 C ATOM 1165 O ARG B 42 29.230 -0.792 -10.405 1.00 10.00 O ATOM 1166 CB ARG B 42 28.919 0.716 -12.925 1.00 10.00 C ATOM 1167 CG ARG B 42 29.085 1.816 -13.976 1.00 10.00 C ATOM 1168 CD ARG B 42 29.409 1.243 -15.355 1.00 10.00 C ATOM 1169 NE ARG B 42 28.267 0.545 -15.973 1.00 10.00 N ATOM 1170 CZ ARG B 42 28.318 -0.096 -17.152 1.00 10.00 C ATOM 1171 NH1 ARG B 42 29.445 -0.165 -17.844 1.00 10.00 N ATOM 1172 NH2 ARG B 42 27.228 -0.624 -17.665 1.00 10.00 N ATOM 0 H ARG B 42 30.852 1.293 -11.031 1.00 10.00 H new ATOM 0 HA ARG B 42 28.005 2.037 -11.518 1.00 10.00 H new ATOM 0 HB2 ARG B 42 29.770 0.036 -12.972 1.00 10.00 H new ATOM 0 HB3 ARG B 42 28.029 0.129 -13.150 1.00 10.00 H new ATOM 0 HG2 ARG B 42 28.169 2.404 -14.033 1.00 10.00 H new ATOM 0 HG3 ARG B 42 29.881 2.494 -13.669 1.00 10.00 H new ATOM 0 HD2 ARG B 42 29.732 2.051 -16.011 1.00 10.00 H new ATOM 0 HD3 ARG B 42 30.246 0.551 -15.267 1.00 10.00 H new ATOM 0 HE ARG B 42 27.379 0.549 -15.472 1.00 10.00 H new ATOM 0 HH11 ARG B 42 30.293 0.273 -17.483 1.00 10.00 H new ATOM 0 HH12 ARG B 42 29.465 -0.656 -18.738 1.00 10.00 H new ATOM 0 HH21 ARG B 42 26.341 -0.547 -17.167 1.00 10.00 H new ATOM 0 HH22 ARG B 42 27.270 -1.110 -18.561 1.00 10.00 H new ATOM 1186 N LEU B 43 27.467 0.431 -9.695 1.00 10.00 N ATOM 1187 CA LEU B 43 27.071 -0.508 -8.628 1.00 10.00 C ATOM 1188 C LEU B 43 25.925 -1.418 -9.074 1.00 10.00 C ATOM 1189 O LEU B 43 24.963 -0.970 -9.683 1.00 10.00 O ATOM 1190 CB LEU B 43 26.646 0.236 -7.360 1.00 10.00 C ATOM 1191 CG LEU B 43 27.757 1.070 -6.716 1.00 10.00 C ATOM 1192 CD1 LEU B 43 27.208 1.747 -5.461 1.00 10.00 C ATOM 1193 CD2 LEU B 43 28.970 0.212 -6.342 1.00 10.00 C ATOM 0 H LEU B 43 26.894 1.273 -9.746 1.00 10.00 H new ATOM 0 HA LEU B 43 27.948 -1.118 -8.413 1.00 10.00 H new ATOM 0 HB2 LEU B 43 25.809 0.891 -7.601 1.00 10.00 H new ATOM 0 HB3 LEU B 43 26.284 -0.489 -6.632 1.00 10.00 H new ATOM 0 HG LEU B 43 28.087 1.814 -7.441 1.00 10.00 H new ATOM 0 HD11 LEU B 43 27.993 2.343 -4.996 1.00 10.00 H new ATOM 0 HD12 LEU B 43 26.374 2.394 -5.732 1.00 10.00 H new ATOM 0 HD13 LEU B 43 26.865 0.988 -4.758 1.00 10.00 H new ATOM 0 HD21 LEU B 43 29.735 0.842 -5.888 1.00 10.00 H new ATOM 0 HD22 LEU B 43 28.666 -0.558 -5.633 1.00 10.00 H new ATOM 0 HD23 LEU B 43 29.373 -0.259 -7.239 1.00 10.00 H new ATOM 1205 N ILE B 44 26.082 -2.694 -8.728 1.00 10.00 N ATOM 1206 CA ILE B 44 25.111 -3.743 -9.088 1.00 10.00 C ATOM 1207 C ILE B 44 24.581 -4.385 -7.801 1.00 10.00 C ATOM 1208 O ILE B 44 25.350 -4.709 -6.896 1.00 10.00 O ATOM 1209 CB ILE B 44 25.749 -4.800 -10.030 1.00 10.00 C ATOM 1210 CG1 ILE B 44 26.044 -4.239 -11.429 1.00 10.00 C ATOM 1211 CG2 ILE B 44 24.891 -6.062 -10.226 1.00 10.00 C ATOM 1212 CD1 ILE B 44 27.238 -3.284 -11.524 1.00 10.00 C ATOM 0 H ILE B 44 26.880 -3.036 -8.192 1.00 10.00 H new ATOM 0 HA ILE B 44 24.280 -3.298 -9.636 1.00 10.00 H new ATOM 0 HB ILE B 44 26.672 -5.068 -9.517 1.00 10.00 H new ATOM 0 HG12 ILE B 44 26.216 -5.075 -12.107 1.00 10.00 H new ATOM 0 HG13 ILE B 44 25.156 -3.717 -11.786 1.00 10.00 H new ATOM 0 HG21 ILE B 44 25.405 -6.751 -10.896 1.00 10.00 H new ATOM 0 HG22 ILE B 44 24.730 -6.546 -9.263 1.00 10.00 H new ATOM 0 HG23 ILE B 44 23.930 -5.785 -10.658 1.00 10.00 H new ATOM 0 HD11 ILE B 44 27.355 -2.949 -12.555 1.00 10.00 H new ATOM 0 HD12 ILE B 44 27.066 -2.422 -10.880 1.00 10.00 H new ATOM 0 HD13 ILE B 44 28.143 -3.801 -11.205 1.00 10.00 H new ATOM 1224 N PHE B 45 23.285 -4.663 -7.845 1.00 10.00 N ATOM 1225 CA PHE B 45 22.607 -5.486 -6.831 1.00 10.00 C ATOM 1226 C PHE B 45 21.347 -6.103 -7.443 1.00 10.00 C ATOM 1227 O PHE B 45 20.576 -5.415 -8.106 1.00 10.00 O ATOM 1228 CB PHE B 45 22.245 -4.633 -5.613 1.00 10.00 C ATOM 1229 CG PHE B 45 21.578 -5.484 -4.532 1.00 10.00 C ATOM 1230 CD1 PHE B 45 22.349 -6.329 -3.744 1.00 10.00 C ATOM 1231 CD2 PHE B 45 20.202 -5.420 -4.354 1.00 10.00 C ATOM 1232 CE1 PHE B 45 21.742 -7.118 -2.779 1.00 10.00 C ATOM 1233 CE2 PHE B 45 19.593 -6.203 -3.380 1.00 10.00 C ATOM 1234 CZ PHE B 45 20.365 -7.053 -2.593 1.00 10.00 C ATOM 0 H PHE B 45 22.666 -4.327 -8.583 1.00 10.00 H new ATOM 0 HA PHE B 45 23.275 -6.282 -6.504 1.00 10.00 H new ATOM 0 HB2 PHE B 45 23.144 -4.166 -5.211 1.00 10.00 H new ATOM 0 HB3 PHE B 45 21.574 -3.828 -5.914 1.00 10.00 H new ATOM 0 HD1 PHE B 45 23.419 -6.371 -3.883 1.00 10.00 H new ATOM 0 HD2 PHE B 45 19.606 -4.763 -4.971 1.00 10.00 H new ATOM 0 HE1 PHE B 45 22.338 -7.783 -2.172 1.00 10.00 H new ATOM 0 HE2 PHE B 45 18.524 -6.152 -3.234 1.00 10.00 H new ATOM 0 HZ PHE B 45 19.894 -7.663 -1.837 1.00 10.00 H new ATOM 1244 N ALA B 46 21.247 -7.424 -7.299 1.00 10.00 N ATOM 1245 CA ALA B 46 20.094 -8.217 -7.794 1.00 10.00 C ATOM 1246 C ALA B 46 19.868 -8.035 -9.310 1.00 10.00 C ATOM 1247 O ALA B 46 18.738 -7.879 -9.804 1.00 10.00 O ATOM 1248 CB ALA B 46 18.852 -7.904 -6.938 1.00 10.00 C ATOM 0 H ALA B 46 21.960 -7.988 -6.836 1.00 10.00 H new ATOM 0 HA ALA B 46 20.312 -9.279 -7.679 1.00 10.00 H new ATOM 0 HB1 ALA B 46 18.004 -8.486 -7.300 1.00 10.00 H new ATOM 0 HB2 ALA B 46 19.052 -8.163 -5.898 1.00 10.00 H new ATOM 0 HB3 ALA B 46 18.620 -6.841 -7.009 1.00 10.00 H new ATOM 1254 N GLY B 47 20.976 -8.034 -10.047 1.00 10.00 N ATOM 1255 CA GLY B 47 20.994 -7.888 -11.522 1.00 10.00 C ATOM 1256 C GLY B 47 20.494 -6.519 -12.015 1.00 10.00 C ATOM 1257 O GLY B 47 19.965 -6.402 -13.120 1.00 10.00 O ATOM 0 H GLY B 47 21.907 -8.135 -9.642 1.00 10.00 H new ATOM 0 HA2 GLY B 47 22.011 -8.044 -11.881 1.00 10.00 H new ATOM 0 HA3 GLY B 47 20.377 -8.671 -11.963 1.00 10.00 H new ATOM 1261 N LYS B 48 20.726 -5.498 -11.200 1.00 10.00 N ATOM 1262 CA LYS B 48 20.316 -4.111 -11.492 1.00 10.00 C ATOM 1263 C LYS B 48 21.505 -3.170 -11.281 1.00 10.00 C ATOM 1264 O LYS B 48 22.248 -3.301 -10.315 1.00 10.00 O ATOM 1265 CB LYS B 48 19.185 -3.704 -10.541 1.00 10.00 C ATOM 1266 CG LYS B 48 17.848 -4.358 -10.909 1.00 10.00 C ATOM 1267 CD LYS B 48 16.733 -3.952 -9.940 1.00 10.00 C ATOM 1268 CE LYS B 48 16.796 -4.690 -8.597 1.00 10.00 C ATOM 1269 NZ LYS B 48 16.428 -6.106 -8.751 1.00 10.00 N ATOM 0 H LYS B 48 21.208 -5.600 -10.307 1.00 10.00 H new ATOM 0 HA LYS B 48 19.974 -4.046 -12.525 1.00 10.00 H new ATOM 0 HB2 LYS B 48 19.454 -3.981 -9.522 1.00 10.00 H new ATOM 0 HB3 LYS B 48 19.073 -2.620 -10.557 1.00 10.00 H new ATOM 0 HG2 LYS B 48 17.570 -4.072 -11.924 1.00 10.00 H new ATOM 0 HG3 LYS B 48 17.959 -5.442 -10.902 1.00 10.00 H new ATOM 0 HD2 LYS B 48 16.791 -2.879 -9.760 1.00 10.00 H new ATOM 0 HD3 LYS B 48 15.767 -4.145 -10.407 1.00 10.00 H new ATOM 0 HE2 LYS B 48 17.802 -4.616 -8.185 1.00 10.00 H new ATOM 0 HE3 LYS B 48 16.124 -4.212 -7.884 1.00 10.00 H new ATOM 0 HZ1 LYS B 48 16.150 -6.495 -7.827 1.00 10.00 H new ATOM 0 HZ2 LYS B 48 15.632 -6.188 -9.415 1.00 10.00 H new ATOM 0 HZ3 LYS B 48 17.242 -6.638 -9.120 1.00 10.00 H new ATOM 1283 N GLN B 49 21.693 -2.280 -12.259 1.00 10.00 N ATOM 1284 CA GLN B 49 22.672 -1.186 -12.133 1.00 10.00 C ATOM 1285 C GLN B 49 22.021 -0.041 -11.354 1.00 10.00 C ATOM 1286 O GLN B 49 20.904 0.377 -11.637 1.00 10.00 O ATOM 1287 CB GLN B 49 23.118 -0.670 -13.503 1.00 10.00 C ATOM 1288 CG GLN B 49 23.698 -1.789 -14.370 1.00 10.00 C ATOM 1289 CD GLN B 49 24.510 -1.240 -15.541 1.00 10.00 C ATOM 1290 OE1 GLN B 49 25.295 -0.306 -15.429 1.00 10.00 O ATOM 1291 NE2 GLN B 49 24.382 -1.883 -16.680 1.00 10.00 N ATOM 0 H GLN B 49 21.186 -2.291 -13.144 1.00 10.00 H new ATOM 0 HA GLN B 49 23.552 -1.564 -11.613 1.00 10.00 H new ATOM 0 HB2 GLN B 49 22.269 -0.217 -14.015 1.00 10.00 H new ATOM 0 HB3 GLN B 49 23.866 0.112 -13.371 1.00 10.00 H new ATOM 0 HG2 GLN B 49 24.332 -2.431 -13.758 1.00 10.00 H new ATOM 0 HG3 GLN B 49 22.887 -2.411 -14.750 1.00 10.00 H new ATOM 0 HE21 GLN B 49 23.724 -2.659 -16.757 1.00 10.00 H new ATOM 0 HE22 GLN B 49 24.941 -1.607 -17.487 1.00 10.00 H new ATOM 1300 N LEU B 50 22.751 0.427 -10.346 1.00 10.00 N ATOM 1301 CA LEU B 50 22.220 1.440 -9.426 1.00 10.00 C ATOM 1302 C LEU B 50 22.337 2.847 -10.021 1.00 10.00 C ATOM 1303 O LEU B 50 23.354 3.240 -10.570 1.00 10.00 O ATOM 1304 CB LEU B 50 22.914 1.306 -8.068 1.00 10.00 C ATOM 1305 CG LEU B 50 22.867 -0.125 -7.512 1.00 10.00 C ATOM 1306 CD1 LEU B 50 23.484 -0.155 -6.118 1.00 10.00 C ATOM 1307 CD2 LEU B 50 21.460 -0.732 -7.477 1.00 10.00 C ATOM 0 H LEU B 50 23.704 0.127 -10.142 1.00 10.00 H new ATOM 0 HA LEU B 50 21.154 1.272 -9.273 1.00 10.00 H new ATOM 0 HB2 LEU B 50 23.954 1.619 -8.164 1.00 10.00 H new ATOM 0 HB3 LEU B 50 22.442 1.983 -7.356 1.00 10.00 H new ATOM 0 HG LEU B 50 23.445 -0.742 -8.200 1.00 10.00 H new ATOM 0 HD11 LEU B 50 23.449 -1.172 -5.726 1.00 10.00 H new ATOM 0 HD12 LEU B 50 24.521 0.178 -6.172 1.00 10.00 H new ATOM 0 HD13 LEU B 50 22.924 0.507 -5.458 1.00 10.00 H new ATOM 0 HD21 LEU B 50 21.510 -1.743 -7.072 1.00 10.00 H new ATOM 0 HD22 LEU B 50 20.815 -0.120 -6.846 1.00 10.00 H new ATOM 0 HD23 LEU B 50 21.053 -0.765 -8.488 1.00 10.00 H new ATOM 1319 N GLU B 51 21.239 3.588 -9.876 1.00 10.00 N ATOM 1320 CA GLU B 51 21.081 4.928 -10.442 1.00 10.00 C ATOM 1321 C GLU B 51 21.259 5.993 -9.367 1.00 10.00 C ATOM 1322 O GLU B 51 20.695 5.878 -8.284 1.00 10.00 O ATOM 1323 CB GLU B 51 19.688 5.032 -11.053 1.00 10.00 C ATOM 1324 CG GLU B 51 19.502 4.219 -12.330 1.00 10.00 C ATOM 1325 CD GLU B 51 19.858 5.006 -13.572 1.00 10.00 C ATOM 1326 OE1 GLU B 51 21.047 5.031 -13.946 1.00 10.00 O ATOM 1327 OE2 GLU B 51 18.941 5.584 -14.192 1.00 10.00 O ATOM 0 H GLU B 51 20.422 3.270 -9.354 1.00 10.00 H new ATOM 0 HA GLU B 51 21.841 5.092 -11.205 1.00 10.00 H new ATOM 0 HB2 GLU B 51 18.955 4.703 -10.316 1.00 10.00 H new ATOM 0 HB3 GLU B 51 19.475 6.079 -11.268 1.00 10.00 H new ATOM 0 HG2 GLU B 51 20.121 3.323 -12.281 1.00 10.00 H new ATOM 0 HG3 GLU B 51 18.466 3.887 -12.398 1.00 10.00 H new ATOM 1334 N ASP B 52 21.969 7.056 -9.719 1.00 10.00 N ATOM 1335 CA ASP B 52 22.354 8.112 -8.753 1.00 10.00 C ATOM 1336 C ASP B 52 21.196 8.687 -7.929 1.00 10.00 C ATOM 1337 O ASP B 52 21.306 8.761 -6.700 1.00 10.00 O ATOM 1338 CB ASP B 52 23.084 9.257 -9.468 1.00 10.00 C ATOM 1339 CG ASP B 52 24.501 8.873 -9.895 1.00 10.00 C ATOM 1340 OD1 ASP B 52 25.176 8.193 -9.091 1.00 10.00 O ATOM 1341 OD2 ASP B 52 24.846 9.225 -11.042 1.00 10.00 O ATOM 0 H ASP B 52 22.299 7.223 -10.670 1.00 10.00 H new ATOM 0 HA ASP B 52 23.014 7.612 -8.043 1.00 10.00 H new ATOM 0 HB2 ASP B 52 22.512 9.556 -10.346 1.00 10.00 H new ATOM 0 HB3 ASP B 52 23.129 10.123 -8.808 1.00 10.00 H new ATOM 1346 N GLY B 53 20.085 8.995 -8.633 1.00 10.00 N ATOM 1347 CA GLY B 53 18.882 9.572 -8.021 1.00 10.00 C ATOM 1348 C GLY B 53 17.967 8.574 -7.309 1.00 10.00 C ATOM 1349 O GLY B 53 16.848 8.932 -6.918 1.00 10.00 O ATOM 0 H GLY B 53 20.003 8.849 -9.639 1.00 10.00 H new ATOM 0 HA2 GLY B 53 19.189 10.334 -7.304 1.00 10.00 H new ATOM 0 HA3 GLY B 53 18.307 10.078 -8.797 1.00 10.00 H new ATOM 1353 N ARG B 54 18.409 7.323 -7.178 1.00 10.00 N ATOM 1354 CA ARG B 54 17.648 6.292 -6.456 1.00 10.00 C ATOM 1355 C ARG B 54 18.345 6.025 -5.124 1.00 10.00 C ATOM 1356 O ARG B 54 19.487 6.445 -4.922 1.00 10.00 O ATOM 1357 CB ARG B 54 17.545 4.987 -7.267 1.00 10.00 C ATOM 1358 CG ARG B 54 16.946 5.128 -8.680 1.00 10.00 C ATOM 1359 CD ARG B 54 15.547 5.752 -8.717 1.00 10.00 C ATOM 1360 NE ARG B 54 14.541 4.912 -8.067 1.00 10.00 N ATOM 1361 CZ ARG B 54 13.218 5.017 -8.230 1.00 10.00 C ATOM 1362 NH1 ARG B 54 12.682 5.835 -9.129 1.00 10.00 N ATOM 1363 NH2 ARG B 54 12.419 4.315 -7.449 1.00 10.00 N ATOM 0 H ARG B 54 19.294 6.994 -7.563 1.00 10.00 H new ATOM 0 HA ARG B 54 16.632 6.652 -6.293 1.00 10.00 H new ATOM 0 HB2 ARG B 54 18.542 4.555 -7.356 1.00 10.00 H new ATOM 0 HB3 ARG B 54 16.939 4.277 -6.704 1.00 10.00 H new ATOM 0 HG2 ARG B 54 17.617 5.736 -9.287 1.00 10.00 H new ATOM 0 HG3 ARG B 54 16.903 4.142 -9.143 1.00 10.00 H new ATOM 0 HD2 ARG B 54 15.574 6.726 -8.227 1.00 10.00 H new ATOM 0 HD3 ARG B 54 15.257 5.924 -9.753 1.00 10.00 H new ATOM 0 HE ARG B 54 14.877 4.185 -7.436 1.00 10.00 H new ATOM 0 HH11 ARG B 54 13.284 6.407 -9.721 1.00 10.00 H new ATOM 0 HH12 ARG B 54 11.668 5.891 -9.227 1.00 10.00 H new ATOM 0 HH21 ARG B 54 12.813 3.704 -6.734 1.00 10.00 H new ATOM 0 HH22 ARG B 54 11.407 4.384 -7.560 1.00 10.00 H new ATOM 1377 N THR B 55 17.668 5.315 -4.231 1.00 10.00 N ATOM 1378 CA THR B 55 18.209 5.018 -2.902 1.00 10.00 C ATOM 1379 C THR B 55 18.309 3.513 -2.665 1.00 10.00 C ATOM 1380 O THR B 55 17.830 2.716 -3.468 1.00 10.00 O ATOM 1381 CB THR B 55 17.327 5.608 -1.782 1.00 10.00 C ATOM 1382 OG1 THR B 55 16.037 4.993 -1.820 1.00 10.00 O ATOM 1383 CG2 THR B 55 17.186 7.130 -1.910 1.00 10.00 C ATOM 0 H THR B 55 16.738 4.930 -4.400 1.00 10.00 H new ATOM 0 HA THR B 55 19.200 5.471 -2.873 1.00 10.00 H new ATOM 0 HB THR B 55 17.810 5.403 -0.827 1.00 10.00 H new ATOM 0 HG1 THR B 55 15.604 5.193 -2.676 1.00 10.00 H new ATOM 0 HG21 THR B 55 16.558 7.506 -1.103 1.00 10.00 H new ATOM 0 HG22 THR B 55 18.171 7.593 -1.849 1.00 10.00 H new ATOM 0 HG23 THR B 55 16.729 7.374 -2.869 1.00 10.00 H new ATOM 1391 N LEU B 56 18.943 3.138 -1.553 1.00 10.00 N ATOM 1392 CA LEU B 56 19.110 1.714 -1.188 1.00 10.00 C ATOM 1393 C LEU B 56 17.775 0.979 -0.999 1.00 10.00 C ATOM 1394 O LEU B 56 17.567 -0.108 -1.536 1.00 10.00 O ATOM 1395 CB LEU B 56 19.940 1.576 0.092 1.00 10.00 C ATOM 1396 CG LEU B 56 21.378 2.068 -0.072 1.00 10.00 C ATOM 1397 CD1 LEU B 56 22.092 1.947 1.269 1.00 10.00 C ATOM 1398 CD2 LEU B 56 22.157 1.267 -1.118 1.00 10.00 C ATOM 0 H LEU B 56 19.351 3.792 -0.885 1.00 10.00 H new ATOM 0 HA LEU B 56 19.629 1.250 -2.027 1.00 10.00 H new ATOM 0 HB2 LEU B 56 19.459 2.138 0.893 1.00 10.00 H new ATOM 0 HB3 LEU B 56 19.953 0.530 0.399 1.00 10.00 H new ATOM 0 HG LEU B 56 21.337 3.103 -0.412 1.00 10.00 H new ATOM 0 HD11 LEU B 56 23.120 2.295 1.167 1.00 10.00 H new ATOM 0 HD12 LEU B 56 21.576 2.555 2.012 1.00 10.00 H new ATOM 0 HD13 LEU B 56 22.092 0.905 1.589 1.00 10.00 H new ATOM 0 HD21 LEU B 56 23.172 1.658 -1.194 1.00 10.00 H new ATOM 0 HD22 LEU B 56 22.194 0.219 -0.821 1.00 10.00 H new ATOM 0 HD23 LEU B 56 21.661 1.353 -2.085 1.00 10.00 H new ATOM 1410 N SER B 57 16.818 1.705 -0.403 1.00 10.00 N ATOM 1411 CA SER B 57 15.456 1.204 -0.173 1.00 10.00 C ATOM 1412 C SER B 57 14.683 1.060 -1.488 1.00 10.00 C ATOM 1413 O SER B 57 13.662 0.377 -1.540 1.00 10.00 O ATOM 1414 CB SER B 57 14.694 2.146 0.785 1.00 10.00 C ATOM 1415 OG SER B 57 14.653 3.470 0.283 1.00 10.00 O ATOM 0 H SER B 57 16.967 2.656 -0.067 1.00 10.00 H new ATOM 0 HA SER B 57 15.538 0.217 0.282 1.00 10.00 H new ATOM 0 HB2 SER B 57 13.678 1.778 0.928 1.00 10.00 H new ATOM 0 HB3 SER B 57 15.176 2.141 1.763 1.00 10.00 H new ATOM 0 HG SER B 57 15.206 3.531 -0.524 1.00 10.00 H new ATOM 1421 N ASP B 58 15.175 1.722 -2.544 1.00 10.00 N ATOM 1422 CA ASP B 58 14.521 1.709 -3.866 1.00 10.00 C ATOM 1423 C ASP B 58 14.863 0.453 -4.677 1.00 10.00 C ATOM 1424 O ASP B 58 14.066 0.002 -5.502 1.00 10.00 O ATOM 1425 CB ASP B 58 14.911 2.954 -4.669 1.00 10.00 C ATOM 1426 CG ASP B 58 14.034 4.145 -4.380 1.00 10.00 C ATOM 1427 OD1 ASP B 58 12.801 3.975 -4.202 1.00 10.00 O ATOM 1428 OD2 ASP B 58 14.582 5.261 -4.334 1.00 10.00 O ATOM 0 H ASP B 58 16.030 2.278 -2.511 1.00 10.00 H new ATOM 0 HA ASP B 58 13.446 1.706 -3.683 1.00 10.00 H new ATOM 0 HB2 ASP B 58 15.947 3.211 -4.448 1.00 10.00 H new ATOM 0 HB3 ASP B 58 14.860 2.723 -5.733 1.00 10.00 H new ATOM 1433 N TYR B 59 16.054 -0.094 -4.448 1.00 10.00 N ATOM 1434 CA TYR B 59 16.517 -1.300 -5.144 1.00 10.00 C ATOM 1435 C TYR B 59 16.374 -2.546 -4.260 1.00 10.00 C ATOM 1436 O TYR B 59 16.734 -3.658 -4.666 1.00 10.00 O ATOM 1437 CB TYR B 59 17.980 -1.125 -5.537 1.00 10.00 C ATOM 1438 CG TYR B 59 18.195 -0.324 -6.789 1.00 10.00 C ATOM 1439 CD1 TYR B 59 18.035 -0.909 -8.039 1.00 10.00 C ATOM 1440 CD2 TYR B 59 18.614 0.998 -6.724 1.00 10.00 C ATOM 1441 CE1 TYR B 59 18.288 -0.197 -9.194 1.00 10.00 C ATOM 1442 CE2 TYR B 59 18.858 1.718 -7.875 1.00 10.00 C ATOM 1443 CZ TYR B 59 18.702 1.112 -9.106 1.00 10.00 C ATOM 1444 OH TYR B 59 18.971 1.817 -10.249 1.00 10.00 O ATOM 0 H TYR B 59 16.726 0.281 -3.778 1.00 10.00 H new ATOM 0 HA TYR B 59 15.900 -1.440 -6.032 1.00 10.00 H new ATOM 0 HB2 TYR B 59 18.509 -0.641 -4.716 1.00 10.00 H new ATOM 0 HB3 TYR B 59 18.428 -2.110 -5.669 1.00 10.00 H new ATOM 0 HD1 TYR B 59 17.708 -1.936 -8.108 1.00 10.00 H new ATOM 0 HD2 TYR B 59 18.750 1.468 -5.761 1.00 10.00 H new ATOM 0 HE1 TYR B 59 18.162 -0.664 -10.160 1.00 10.00 H new ATOM 0 HE2 TYR B 59 19.169 2.750 -7.814 1.00 10.00 H new ATOM 0 HH TYR B 59 19.616 1.321 -10.795 1.00 10.00 H new ATOM 1454 N ASN B 60 15.832 -2.338 -3.055 1.00 10.00 N ATOM 1455 CA ASN B 60 15.620 -3.403 -2.062 1.00 10.00 C ATOM 1456 C ASN B 60 16.944 -3.876 -1.426 1.00 10.00 C ATOM 1457 O ASN B 60 17.062 -4.990 -0.913 1.00 10.00 O ATOM 1458 CB ASN B 60 14.819 -4.560 -2.669 1.00 10.00 C ATOM 1459 CG ASN B 60 13.925 -5.257 -1.656 1.00 10.00 C ATOM 1460 OD1 ASN B 60 13.388 -4.631 -0.737 1.00 10.00 O ATOM 1461 ND2 ASN B 60 13.769 -6.556 -1.812 1.00 10.00 N ATOM 0 H ASN B 60 15.525 -1.419 -2.737 1.00 10.00 H new ATOM 0 HA ASN B 60 15.027 -2.986 -1.248 1.00 10.00 H new ATOM 0 HB2 ASN B 60 14.206 -4.181 -3.487 1.00 10.00 H new ATOM 0 HB3 ASN B 60 15.509 -5.287 -3.098 1.00 10.00 H new ATOM 0 HD21 ASN B 60 13.187 -7.082 -1.160 1.00 10.00 H new ATOM 0 HD22 ASN B 60 14.230 -7.036 -2.585 1.00 10.00 H new ATOM 1468 N ILE B 61 17.940 -3.006 -1.501 1.00 10.00 N ATOM 1469 CA ILE B 61 19.256 -3.211 -0.864 1.00 10.00 C ATOM 1470 C ILE B 61 19.069 -2.987 0.640 1.00 10.00 C ATOM 1471 O ILE B 61 18.915 -1.859 1.101 1.00 10.00 O ATOM 1472 CB ILE B 61 20.317 -2.270 -1.466 1.00 10.00 C ATOM 1473 CG1 ILE B 61 20.446 -2.554 -2.972 1.00 10.00 C ATOM 1474 CG2 ILE B 61 21.669 -2.405 -0.742 1.00 10.00 C ATOM 1475 CD1 ILE B 61 21.377 -1.618 -3.750 1.00 10.00 C ATOM 0 H ILE B 61 17.868 -2.124 -2.009 1.00 10.00 H new ATOM 0 HA ILE B 61 19.622 -4.222 -1.044 1.00 10.00 H new ATOM 0 HB ILE B 61 19.997 -1.237 -1.328 1.00 10.00 H new ATOM 0 HG12 ILE B 61 20.800 -3.577 -3.101 1.00 10.00 H new ATOM 0 HG13 ILE B 61 19.453 -2.502 -3.419 1.00 10.00 H new ATOM 0 HG21 ILE B 61 22.393 -1.727 -1.194 1.00 10.00 H new ATOM 0 HG22 ILE B 61 21.544 -2.154 0.311 1.00 10.00 H new ATOM 0 HG23 ILE B 61 22.028 -3.430 -0.831 1.00 10.00 H new ATOM 0 HD11 ILE B 61 21.392 -1.910 -4.800 1.00 10.00 H new ATOM 0 HD12 ILE B 61 21.017 -0.593 -3.664 1.00 10.00 H new ATOM 0 HD13 ILE B 61 22.385 -1.685 -3.341 1.00 10.00 H new ATOM 1487 N GLN B 62 19.098 -4.084 1.382 1.00 10.00 N ATOM 1488 CA GLN B 62 18.907 -4.045 2.823 1.00 10.00 C ATOM 1489 C GLN B 62 20.228 -4.275 3.559 1.00 10.00 C ATOM 1490 O GLN B 62 21.297 -4.280 2.949 1.00 10.00 O ATOM 1491 CB GLN B 62 17.871 -5.104 3.223 1.00 10.00 C ATOM 1492 CG GLN B 62 16.505 -4.919 2.558 1.00 10.00 C ATOM 1493 CD GLN B 62 15.436 -5.853 3.117 1.00 10.00 C ATOM 1494 OE1 GLN B 62 15.855 -6.973 3.689 1.00 10.00 O flip ATOM 1495 NE2 GLN B 62 14.244 -5.557 3.052 1.00 10.00 N flip ATOM 0 H GLN B 62 19.253 -5.019 1.005 1.00 10.00 H new ATOM 0 HA GLN B 62 18.543 -3.058 3.107 1.00 10.00 H new ATOM 0 HB2 GLN B 62 18.258 -6.091 2.968 1.00 10.00 H new ATOM 0 HB3 GLN B 62 17.743 -5.082 4.305 1.00 10.00 H new ATOM 0 HG2 GLN B 62 16.181 -3.886 2.688 1.00 10.00 H new ATOM 0 HG3 GLN B 62 16.603 -5.089 1.486 1.00 10.00 H new ATOM 0 HE21 GLN B 62 13.958 -4.686 2.604 1.00 10.00 H new ATOM 0 HE22 GLN B 62 13.541 -6.182 3.446 1.00 10.00 H new ATOM 1504 N LYS B 63 20.150 -4.443 4.878 1.00 10.00 N ATOM 1505 CA LYS B 63 21.354 -4.680 5.697 1.00 10.00 C ATOM 1506 C LYS B 63 21.996 -6.006 5.271 1.00 10.00 C ATOM 1507 O LYS B 63 21.291 -6.944 4.913 1.00 10.00 O ATOM 1508 CB LYS B 63 21.007 -4.703 7.191 1.00 10.00 C ATOM 1509 CG LYS B 63 20.143 -5.891 7.629 1.00 10.00 C ATOM 1510 CD LYS B 63 19.802 -5.775 9.109 1.00 10.00 C ATOM 1511 CE LYS B 63 18.991 -6.983 9.571 1.00 10.00 C ATOM 1512 NZ LYS B 63 18.502 -6.754 10.936 1.00 10.00 N ATOM 0 H LYS B 63 19.277 -4.421 5.406 1.00 10.00 H new ATOM 0 HA LYS B 63 22.061 -3.866 5.537 1.00 10.00 H new ATOM 0 HB2 LYS B 63 21.933 -4.714 7.765 1.00 10.00 H new ATOM 0 HB3 LYS B 63 20.486 -3.779 7.443 1.00 10.00 H new ATOM 0 HG2 LYS B 63 19.227 -5.922 7.039 1.00 10.00 H new ATOM 0 HG3 LYS B 63 20.674 -6.825 7.443 1.00 10.00 H new ATOM 0 HD2 LYS B 63 20.719 -5.701 9.694 1.00 10.00 H new ATOM 0 HD3 LYS B 63 19.236 -4.861 9.286 1.00 10.00 H new ATOM 0 HE2 LYS B 63 18.151 -7.150 8.896 1.00 10.00 H new ATOM 0 HE3 LYS B 63 19.608 -7.881 9.541 1.00 10.00 H new ATOM 0 HZ1 LYS B 63 17.950 -7.578 11.250 1.00 10.00 H new ATOM 0 HZ2 LYS B 63 19.310 -6.615 11.576 1.00 10.00 H new ATOM 0 HZ3 LYS B 63 17.899 -5.907 10.951 1.00 10.00 H new ATOM 1526 N GLU B 64 23.334 -6.000 5.248 1.00 10.00 N ATOM 1527 CA GLU B 64 24.149 -7.193 4.922 1.00 10.00 C ATOM 1528 C GLU B 64 24.160 -7.558 3.426 1.00 10.00 C ATOM 1529 O GLU B 64 24.739 -8.574 3.046 1.00 10.00 O ATOM 1530 CB GLU B 64 23.667 -8.430 5.706 1.00 10.00 C ATOM 1531 CG GLU B 64 24.680 -8.953 6.719 1.00 10.00 C ATOM 1532 CD GLU B 64 25.147 -7.899 7.727 1.00 10.00 C ATOM 1533 OE1 GLU B 64 24.365 -6.975 8.053 1.00 10.00 O ATOM 1534 OE2 GLU B 64 26.316 -8.044 8.143 1.00 10.00 O ATOM 0 H GLU B 64 23.890 -5.170 5.454 1.00 10.00 H new ATOM 0 HA GLU B 64 25.163 -6.916 5.210 1.00 10.00 H new ATOM 0 HB2 GLU B 64 22.743 -8.180 6.227 1.00 10.00 H new ATOM 0 HB3 GLU B 64 23.430 -9.226 5.000 1.00 10.00 H new ATOM 0 HG2 GLU B 64 24.239 -9.790 7.261 1.00 10.00 H new ATOM 0 HG3 GLU B 64 25.547 -9.341 6.185 1.00 10.00 H new ATOM 1541 N SER B 65 23.584 -6.691 2.597 1.00 10.00 N ATOM 1542 CA SER B 65 23.608 -6.883 1.133 1.00 10.00 C ATOM 1543 C SER B 65 25.021 -6.624 0.621 1.00 10.00 C ATOM 1544 O SER B 65 25.752 -5.793 1.145 1.00 10.00 O ATOM 1545 CB SER B 65 22.678 -5.905 0.424 1.00 10.00 C ATOM 1546 OG SER B 65 21.316 -6.164 0.756 1.00 10.00 O ATOM 0 H SER B 65 23.095 -5.850 2.903 1.00 10.00 H new ATOM 0 HA SER B 65 23.283 -7.903 0.927 1.00 10.00 H new ATOM 0 HB2 SER B 65 22.936 -4.884 0.704 1.00 10.00 H new ATOM 0 HB3 SER B 65 22.815 -5.984 -0.654 1.00 10.00 H new ATOM 0 HG SER B 65 21.074 -5.659 1.560 1.00 10.00 H new ATOM 1552 N THR B 66 25.413 -7.422 -0.375 1.00 10.00 N ATOM 1553 CA THR B 66 26.713 -7.204 -1.022 1.00 10.00 C ATOM 1554 C THR B 66 26.494 -6.909 -2.513 1.00 10.00 C ATOM 1555 O THR B 66 25.660 -7.502 -3.181 1.00 10.00 O ATOM 1556 CB THR B 66 27.759 -8.323 -0.794 1.00 10.00 C ATOM 1557 OG1 THR B 66 27.887 -9.167 -1.937 1.00 10.00 O ATOM 1558 CG2 THR B 66 27.486 -9.209 0.430 1.00 10.00 C ATOM 0 H THR B 66 24.870 -8.203 -0.744 1.00 10.00 H new ATOM 0 HA THR B 66 27.162 -6.339 -0.534 1.00 10.00 H new ATOM 0 HB THR B 66 28.687 -7.781 -0.610 1.00 10.00 H new ATOM 0 HG1 THR B 66 28.556 -9.860 -1.758 1.00 10.00 H new ATOM 0 HG21 THR B 66 28.267 -9.965 0.513 1.00 10.00 H new ATOM 0 HG22 THR B 66 27.479 -8.594 1.330 1.00 10.00 H new ATOM 0 HG23 THR B 66 26.518 -9.698 0.317 1.00 10.00 H new ATOM 1566 N LEU B 67 27.167 -5.837 -2.915 1.00 10.00 N ATOM 1567 CA LEU B 67 27.160 -5.309 -4.283 1.00 10.00 C ATOM 1568 C LEU B 67 28.533 -5.608 -4.900 1.00 10.00 C ATOM 1569 O LEU B 67 29.491 -5.957 -4.219 1.00 10.00 O ATOM 1570 CB LEU B 67 26.942 -3.788 -4.230 1.00 10.00 C ATOM 1571 CG LEU B 67 25.520 -3.308 -3.882 1.00 10.00 C ATOM 1572 CD1 LEU B 67 25.000 -3.766 -2.516 1.00 10.00 C ATOM 1573 CD2 LEU B 67 25.524 -1.780 -3.883 1.00 10.00 C ATOM 0 H LEU B 67 27.752 -5.291 -2.282 1.00 10.00 H new ATOM 0 HA LEU B 67 26.366 -5.764 -4.875 1.00 10.00 H new ATOM 0 HB2 LEU B 67 27.632 -3.370 -3.497 1.00 10.00 H new ATOM 0 HB3 LEU B 67 27.215 -3.370 -5.199 1.00 10.00 H new ATOM 0 HG LEU B 67 24.860 -3.746 -4.631 1.00 10.00 H new ATOM 0 HD11 LEU B 67 23.993 -3.379 -2.362 1.00 10.00 H new ATOM 0 HD12 LEU B 67 24.979 -4.855 -2.481 1.00 10.00 H new ATOM 0 HD13 LEU B 67 25.657 -3.390 -1.732 1.00 10.00 H new ATOM 0 HD21 LEU B 67 24.527 -1.413 -3.639 1.00 10.00 H new ATOM 0 HD22 LEU B 67 26.236 -1.418 -3.141 1.00 10.00 H new ATOM 0 HD23 LEU B 67 25.812 -1.418 -4.870 1.00 10.00 H new ATOM 1585 N HIS B 68 28.575 -5.456 -6.220 1.00 10.00 N ATOM 1586 CA HIS B 68 29.828 -5.588 -6.972 1.00 10.00 C ATOM 1587 C HIS B 68 30.183 -4.267 -7.656 1.00 10.00 C ATOM 1588 O HIS B 68 29.318 -3.471 -7.999 1.00 10.00 O ATOM 1589 CB HIS B 68 29.727 -6.723 -7.991 1.00 10.00 C ATOM 1590 CG HIS B 68 29.838 -8.080 -7.293 1.00 10.00 C ATOM 1591 ND1 HIS B 68 28.843 -8.752 -6.719 1.00 10.00 N ATOM 1592 CD2 HIS B 68 30.945 -8.807 -7.193 1.00 10.00 C ATOM 1593 CE1 HIS B 68 29.339 -9.895 -6.257 1.00 10.00 C ATOM 1594 NE2 HIS B 68 30.637 -9.930 -6.556 1.00 10.00 N ATOM 0 H HIS B 68 27.760 -5.242 -6.794 1.00 10.00 H new ATOM 0 HA HIS B 68 30.628 -5.834 -6.273 1.00 10.00 H new ATOM 0 HB2 HIS B 68 28.778 -6.658 -8.524 1.00 10.00 H new ATOM 0 HB3 HIS B 68 30.518 -6.624 -8.734 1.00 10.00 H new ATOM 0 HD1 HIS B 68 27.873 -8.445 -6.647 1.00 10.00 H new ATOM 0 HD2 HIS B 68 31.922 -8.533 -7.564 1.00 10.00 H new ATOM 0 HE1 HIS B 68 28.787 -10.661 -5.732 1.00 10.00 H new ATOM 1603 N LEU B 69 31.497 -4.076 -7.764 1.00 10.00 N ATOM 1604 CA LEU B 69 32.076 -2.890 -8.398 1.00 10.00 C ATOM 1605 C LEU B 69 32.860 -3.303 -9.649 1.00 10.00 C ATOM 1606 O LEU B 69 33.722 -4.170 -9.610 1.00 10.00 O ATOM 1607 CB LEU B 69 33.005 -2.195 -7.391 1.00 10.00 C ATOM 1608 CG LEU B 69 33.766 -0.998 -7.978 1.00 10.00 C ATOM 1609 CD1 LEU B 69 32.817 0.127 -8.392 1.00 10.00 C ATOM 1610 CD2 LEU B 69 34.795 -0.487 -6.973 1.00 10.00 C ATOM 0 H LEU B 69 32.191 -4.738 -7.415 1.00 10.00 H new ATOM 0 HA LEU B 69 31.285 -2.202 -8.697 1.00 10.00 H new ATOM 0 HB2 LEU B 69 32.415 -1.857 -6.539 1.00 10.00 H new ATOM 0 HB3 LEU B 69 33.724 -2.921 -7.012 1.00 10.00 H new ATOM 0 HG LEU B 69 34.282 -1.337 -8.876 1.00 10.00 H new ATOM 0 HD11 LEU B 69 33.393 0.956 -8.803 1.00 10.00 H new ATOM 0 HD12 LEU B 69 32.123 -0.242 -9.147 1.00 10.00 H new ATOM 0 HD13 LEU B 69 32.257 0.470 -7.522 1.00 10.00 H new ATOM 0 HD21 LEU B 69 35.329 0.362 -7.399 1.00 10.00 H new ATOM 0 HD22 LEU B 69 34.288 -0.175 -6.060 1.00 10.00 H new ATOM 0 HD23 LEU B 69 35.503 -1.282 -6.741 1.00 10.00 H new ATOM 1622 N VAL B 70 32.554 -2.590 -10.757 1.00 10.00 N ATOM 1623 CA VAL B 70 33.273 -2.734 -12.003 1.00 10.00 C ATOM 1624 C VAL B 70 33.940 -1.371 -12.247 1.00 10.00 C ATOM 1625 O VAL B 70 33.315 -0.315 -12.049 1.00 10.00 O ATOM 1626 CB VAL B 70 32.292 -3.106 -13.179 1.00 10.00 C ATOM 1627 CG1 VAL B 70 32.991 -3.054 -14.545 1.00 10.00 C ATOM 1628 CG2 VAL B 70 31.631 -4.470 -12.935 1.00 10.00 C ATOM 0 H VAL B 70 31.799 -1.905 -10.793 1.00 10.00 H new ATOM 0 HA VAL B 70 34.008 -3.538 -11.957 1.00 10.00 H new ATOM 0 HB VAL B 70 31.504 -2.353 -13.198 1.00 10.00 H new ATOM 0 HG11 VAL B 70 32.280 -3.317 -15.328 1.00 10.00 H new ATOM 0 HG12 VAL B 70 33.370 -2.047 -14.722 1.00 10.00 H new ATOM 0 HG13 VAL B 70 33.821 -3.761 -14.556 1.00 10.00 H new ATOM 0 HG21 VAL B 70 30.959 -4.702 -13.762 1.00 10.00 H new ATOM 0 HG22 VAL B 70 32.400 -5.240 -12.865 1.00 10.00 H new ATOM 0 HG23 VAL B 70 31.064 -4.438 -12.005 1.00 10.00 H new ATOM 1638 N LEU B 71 35.195 -1.396 -12.673 1.00 10.00 N ATOM 1639 CA LEU B 71 35.964 -0.178 -12.853 1.00 10.00 C ATOM 1640 C LEU B 71 35.861 0.313 -14.301 1.00 10.00 C ATOM 1641 O LEU B 71 36.323 -0.360 -15.222 1.00 10.00 O ATOM 1642 CB LEU B 71 37.433 -0.420 -12.468 1.00 10.00 C ATOM 1643 CG LEU B 71 38.067 0.715 -11.678 1.00 10.00 C ATOM 1644 CD1 LEU B 71 37.807 0.498 -10.177 1.00 10.00 C ATOM 1645 CD2 LEU B 71 39.595 0.913 -12.037 1.00 10.00 C ATOM 0 H LEU B 71 35.702 -2.251 -12.901 1.00 10.00 H new ATOM 0 HA LEU B 71 35.555 0.594 -12.201 1.00 10.00 H new ATOM 0 HB2 LEU B 71 37.497 -1.336 -11.881 1.00 10.00 H new ATOM 0 HB3 LEU B 71 38.013 -0.583 -13.377 1.00 10.00 H new ATOM 0 HG LEU B 71 37.597 1.657 -11.961 1.00 10.00 H new ATOM 0 HD11 LEU B 71 38.260 1.310 -9.608 1.00 10.00 H new ATOM 0 HD12 LEU B 71 36.733 0.481 -9.993 1.00 10.00 H new ATOM 0 HD13 LEU B 71 38.244 -0.451 -9.866 1.00 10.00 H new ATOM 0 HD21 LEU B 71 40.004 1.734 -11.448 1.00 10.00 H new ATOM 0 HD22 LEU B 71 40.143 -0.002 -11.813 1.00 10.00 H new ATOM 0 HD23 LEU B 71 39.693 1.144 -13.098 1.00 10.00 H new TER 1657 LEU B 71 HETATM 1658 ZN ZN A 63 6.709 3.013 -7.323 1.00 10.00 ZN