USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 THR OG1 : rot -15:sc= 0.741 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -13.3! C(o=-13!,f=-4.7!) USER MOD Single : A 1 ASN N :NH3+ -107:sc= 0.0945 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 45:sc= 0.0967 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 27 THR OG1 : rot 120:sc= -0.166 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0392) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.597! USER MOD Single : A 37 TYR OH : rot 30:sc= -2.62! USER MOD Single : A 40 SER OG : rot -22:sc= -0.956 USER MOD Single : A 41 HIS : no HD1:sc= 0.181 K(o=0.18,f=-1.3!) USER MOD Single : A 42 SER OG : rot -29:sc= 0.122 USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -15.5! C(o=-16!,f=-13!) USER MOD Single : A 50 SER OG : rot -65:sc= 0.538 USER MOD Single : A 56 TYR OH : rot 36:sc= 0.133 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 88:sc= 0.967 USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.023 (180deg=-0.308) USER MOD Single : A 67 HIS : no HD1:sc= 0.417 K(o=0.42,f=-2.3!) USER MOD Single : A 73 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.014) USER MOD Single : A 75 GLN : amide:sc= -1.17! K(o=-1.2!,f=-0.018) USER MOD Single : A 79 LYS NZ :NH3+ -150:sc= -0.733 (180deg=-2.66!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 24:sc= 0.155 USER MOD Single : A 86 SER OG : rot -115:sc= 1.23 USER MOD Single : A 87 GLN : amide:sc= -4! C(o=-4!,f=-5.4!) USER MOD Single : A 91 SER OG : rot -14:sc= 0.967 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -89:sc= 1.15 USER MOD Single : A 102 THR OG1 : rot -6:sc= 0.95 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 105:sc= 1.39 USER MOD Single : A 109 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.095) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.433 K(o=-0.43,f=0.097) USER MOD Single : A 121 GLN : amide:sc= -6.82! K(o=-6.8!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.760 -0.572 -2.726 1.00 0.00 N ATOM 21 CA ASN A 1 31.398 -0.100 -2.493 1.00 0.00 C ATOM 22 C ASN A 1 30.390 -0.937 -3.272 1.00 0.00 C ATOM 23 O ASN A 1 30.763 -1.726 -4.141 1.00 0.00 O ATOM 24 CB ASN A 1 31.264 1.365 -2.905 1.00 0.00 C ATOM 25 CG ASN A 1 29.912 1.946 -2.545 1.00 0.00 C ATOM 26 OD1 ASN A 1 29.359 2.761 -3.283 1.00 0.00 O ATOM 27 ND2 ASN A 1 29.372 1.531 -1.405 1.00 0.00 N ATOM 0 H1 ASN A 1 33.106 -1.065 -1.878 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.767 -1.227 -3.534 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.378 0.239 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 1 31.190 -0.198 -1.428 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.047 1.948 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.419 1.453 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 1 28.464 1.889 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.866 0.854 -0.824 1.00 0.00 H new ATOM 34 N CYS A 2 29.113 -0.758 -2.953 1.00 0.00 N ATOM 35 CA CYS A 2 28.049 -1.489 -3.626 1.00 0.00 C ATOM 36 C CYS A 2 27.561 -0.749 -4.866 1.00 0.00 C ATOM 37 O CYS A 2 26.743 -1.272 -5.623 1.00 0.00 O ATOM 38 CB CYS A 2 26.883 -1.731 -2.670 1.00 0.00 C ATOM 39 SG CYS A 2 27.034 -3.266 -1.701 1.00 0.00 S ATOM 0 H CYS A 2 28.791 -0.112 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 2 28.457 -2.448 -3.944 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.805 -0.886 -1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.956 -1.764 -3.243 1.00 0.00 H new ATOM 44 N GLY A 3 28.058 0.467 -5.072 1.00 0.00 N ATOM 45 CA GLY A 3 27.645 1.258 -6.214 1.00 0.00 C ATOM 46 C GLY A 3 26.452 2.136 -5.884 1.00 0.00 C ATOM 47 O GLY A 3 25.637 1.767 -5.039 1.00 0.00 O ATOM 0 H GLY A 3 28.742 0.919 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.476 1.881 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.393 0.597 -7.043 1.00 0.00 H new ATOM 51 N PRO A 4 26.324 3.310 -6.529 1.00 0.00 N ATOM 52 CA PRO A 4 25.209 4.231 -6.282 1.00 0.00 C ATOM 53 C PRO A 4 23.872 3.506 -6.128 1.00 0.00 C ATOM 54 O PRO A 4 23.488 2.703 -6.979 1.00 0.00 O ATOM 55 CB PRO A 4 25.234 5.114 -7.526 1.00 0.00 C ATOM 56 CG PRO A 4 26.685 5.203 -7.855 1.00 0.00 C ATOM 57 CD PRO A 4 27.252 3.839 -7.550 1.00 0.00 C ATOM 0 HA PRO A 4 25.313 4.784 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.663 4.674 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.805 6.097 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.835 5.465 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.176 5.974 -7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.278 3.206 -8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.273 3.902 -7.173 1.00 0.00 H new ATOM 65 N PRO A 5 23.150 3.789 -5.028 1.00 0.00 N ATOM 66 CA PRO A 5 21.860 3.153 -4.730 1.00 0.00 C ATOM 67 C PRO A 5 20.848 3.266 -5.868 1.00 0.00 C ATOM 68 O PRO A 5 20.464 4.367 -6.262 1.00 0.00 O ATOM 69 CB PRO A 5 21.357 3.917 -3.502 1.00 0.00 C ATOM 70 CG PRO A 5 22.587 4.458 -2.862 1.00 0.00 C ATOM 71 CD PRO A 5 23.535 4.760 -3.987 1.00 0.00 C ATOM 0 HA PRO A 5 21.980 2.081 -4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.674 4.717 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.813 3.260 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.365 5.356 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.019 3.734 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.430 5.787 -4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.574 4.632 -3.683 1.00 0.00 H new ATOM 79 N PRO A 6 20.407 2.115 -6.410 1.00 0.00 N ATOM 80 CA PRO A 6 19.418 2.074 -7.492 1.00 0.00 C ATOM 81 C PRO A 6 18.101 2.716 -7.081 1.00 0.00 C ATOM 82 O PRO A 6 17.948 3.271 -5.992 1.00 0.00 O ATOM 83 CB PRO A 6 19.200 0.575 -7.738 1.00 0.00 C ATOM 84 CG PRO A 6 19.764 -0.119 -6.545 1.00 0.00 C ATOM 85 CD PRO A 6 20.851 0.769 -6.019 1.00 0.00 C ATOM 0 HA PRO A 6 19.763 2.620 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.141 0.348 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.700 0.252 -8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.995 -0.282 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.158 -1.099 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.957 0.678 -4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.819 0.522 -6.456 1.00 0.00 H new ATOM 93 N THR A 7 17.157 2.610 -8.011 1.00 0.00 N ATOM 94 CA THR A 7 15.819 3.153 -7.829 1.00 0.00 C ATOM 95 C THR A 7 14.867 2.053 -7.379 1.00 0.00 C ATOM 96 O THR A 7 14.832 0.972 -7.969 1.00 0.00 O ATOM 97 CB THR A 7 15.285 3.789 -9.126 1.00 0.00 C ATOM 98 OG1 THR A 7 16.142 4.861 -9.534 1.00 0.00 O ATOM 99 CG2 THR A 7 13.869 4.313 -8.932 1.00 0.00 C ATOM 0 H THR A 7 17.299 2.147 -8.908 1.00 0.00 H new ATOM 0 HA THR A 7 15.879 3.929 -7.066 1.00 0.00 H new ATOM 0 HB THR A 7 15.268 3.021 -9.899 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.797 5.259 -10.360 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.515 4.757 -9.862 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.212 3.490 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.865 5.067 -8.145 1.00 0.00 H new ATOM 107 N LEU A 8 14.097 2.328 -6.337 1.00 0.00 N ATOM 108 CA LEU A 8 13.144 1.359 -5.821 1.00 0.00 C ATOM 109 C LEU A 8 11.712 1.794 -6.088 1.00 0.00 C ATOM 110 O LEU A 8 11.225 2.755 -5.495 1.00 0.00 O ATOM 111 CB LEU A 8 13.349 1.177 -4.320 1.00 0.00 C ATOM 112 CG LEU A 8 14.752 0.737 -3.909 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.724 1.908 -3.947 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.717 0.113 -2.524 1.00 0.00 C ATOM 0 H LEU A 8 14.114 3.214 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 8 13.317 0.413 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.119 2.118 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.633 0.440 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 8 15.102 -0.010 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.716 1.567 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.767 2.312 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.386 2.684 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.722 -0.198 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.346 0.843 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.058 -0.755 -2.533 1.00 0.00 H new ATOM 126 N SER A 9 11.038 1.086 -6.988 1.00 0.00 N ATOM 127 CA SER A 9 9.653 1.397 -7.305 1.00 0.00 C ATOM 128 C SER A 9 8.764 1.041 -6.122 1.00 0.00 C ATOM 129 O SER A 9 7.652 1.551 -5.987 1.00 0.00 O ATOM 130 CB SER A 9 9.200 0.636 -8.552 1.00 0.00 C ATOM 131 OG SER A 9 9.970 1.003 -9.684 1.00 0.00 O ATOM 0 H SER A 9 11.427 0.298 -7.507 1.00 0.00 H new ATOM 0 HA SER A 9 9.572 2.465 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.290 -0.436 -8.380 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.147 0.841 -8.743 1.00 0.00 H new ATOM 0 HG SER A 9 9.661 0.501 -10.467 1.00 0.00 H new ATOM 137 N PHE A 10 9.272 0.155 -5.268 1.00 0.00 N ATOM 138 CA PHE A 10 8.544 -0.272 -4.081 1.00 0.00 C ATOM 139 C PHE A 10 9.044 0.483 -2.853 1.00 0.00 C ATOM 140 O PHE A 10 9.198 -0.093 -1.775 1.00 0.00 O ATOM 141 CB PHE A 10 8.686 -1.782 -3.877 1.00 0.00 C ATOM 142 CG PHE A 10 10.095 -2.281 -4.016 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.961 -2.252 -2.939 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.548 -2.780 -5.226 1.00 0.00 C ATOM 145 CE1 PHE A 10 12.257 -2.712 -3.063 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.844 -3.242 -5.358 1.00 0.00 C ATOM 147 CZ PHE A 10 12.699 -3.207 -4.274 1.00 0.00 C ATOM 0 H PHE A 10 10.188 -0.281 -5.379 1.00 0.00 H new ATOM 0 HA PHE A 10 7.488 -0.044 -4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.314 -2.042 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.054 -2.298 -4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.620 -1.865 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.882 -2.808 -6.075 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.924 -2.685 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.187 -3.629 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.713 -3.566 -4.373 1.00 0.00 H new ATOM 157 N ALA A 11 9.261 1.786 -3.035 1.00 0.00 N ATOM 158 CA ALA A 11 9.737 2.680 -1.980 1.00 0.00 C ATOM 159 C ALA A 11 10.237 3.982 -2.601 1.00 0.00 C ATOM 160 O ALA A 11 10.068 4.233 -3.793 1.00 0.00 O ATOM 161 CB ALA A 11 10.816 2.030 -1.124 1.00 0.00 C ATOM 0 H ALA A 11 9.110 2.255 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 11 8.902 2.898 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.140 2.730 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.415 1.132 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.666 1.762 -1.752 1.00 0.00 H new ATOM 167 N ALA A 12 10.849 4.804 -1.752 1.00 0.00 N ATOM 168 CA ALA A 12 11.346 6.105 -2.190 1.00 0.00 C ATOM 169 C ALA A 12 12.208 6.752 -1.108 1.00 0.00 C ATOM 170 O ALA A 12 11.924 6.611 0.077 1.00 0.00 O ATOM 171 CB ALA A 12 10.187 7.018 -2.562 1.00 0.00 C ATOM 0 H ALA A 12 11.011 4.595 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 12 11.967 5.952 -3.073 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.574 7.984 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.614 6.567 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.542 7.159 -1.695 1.00 0.00 H new ATOM 177 N PRO A 13 13.274 7.473 -1.501 1.00 0.00 N ATOM 178 CA PRO A 13 14.173 8.136 -0.549 1.00 0.00 C ATOM 179 C PRO A 13 13.411 8.876 0.545 1.00 0.00 C ATOM 180 O PRO A 13 12.319 9.398 0.316 1.00 0.00 O ATOM 181 CB PRO A 13 14.944 9.118 -1.427 1.00 0.00 C ATOM 182 CG PRO A 13 14.970 8.479 -2.773 1.00 0.00 C ATOM 183 CD PRO A 13 13.682 7.708 -2.901 1.00 0.00 C ATOM 0 HA PRO A 13 14.809 7.427 -0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.453 10.091 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.952 9.282 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.053 9.230 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.831 7.817 -2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.929 8.275 -3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.828 6.771 -3.438 1.00 0.00 H new ATOM 191 N MET A 14 14.002 8.917 1.739 1.00 0.00 N ATOM 192 CA MET A 14 13.373 9.584 2.874 1.00 0.00 C ATOM 193 C MET A 14 14.352 10.514 3.585 1.00 0.00 C ATOM 194 O MET A 14 13.948 11.388 4.351 1.00 0.00 O ATOM 195 CB MET A 14 12.830 8.543 3.855 1.00 0.00 C ATOM 196 CG MET A 14 12.005 9.135 4.986 1.00 0.00 C ATOM 197 SD MET A 14 11.352 7.876 6.100 1.00 0.00 S ATOM 198 CE MET A 14 10.448 8.890 7.266 1.00 0.00 C ATOM 0 H MET A 14 14.910 8.499 1.943 1.00 0.00 H new ATOM 0 HA MET A 14 12.549 10.190 2.496 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.217 7.827 3.308 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.666 7.988 4.280 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.621 9.833 5.553 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.178 9.708 4.566 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.986 8.253 8.020 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.133 9.587 7.750 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.674 9.449 6.739 1.00 0.00 H new ATOM 208 N ASP A 15 15.641 10.320 3.324 1.00 0.00 N ATOM 209 CA ASP A 15 16.677 11.142 3.938 1.00 0.00 C ATOM 210 C ASP A 15 18.020 10.912 3.244 1.00 0.00 C ATOM 211 O ASP A 15 18.115 11.046 2.025 1.00 0.00 O ATOM 212 CB ASP A 15 16.779 10.829 5.434 1.00 0.00 C ATOM 213 CG ASP A 15 17.475 11.929 6.212 1.00 0.00 C ATOM 214 OD1 ASP A 15 16.806 12.924 6.560 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.690 11.796 6.472 1.00 0.00 O ATOM 0 H ASP A 15 15.993 9.601 2.692 1.00 0.00 H new ATOM 0 HA ASP A 15 16.409 12.192 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.778 10.679 5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.321 9.893 5.570 1.00 0.00 H new ATOM 220 N ILE A 16 19.052 10.573 4.027 1.00 0.00 N ATOM 221 CA ILE A 16 20.390 10.314 3.500 1.00 0.00 C ATOM 222 C ILE A 16 20.769 11.294 2.406 1.00 0.00 C ATOM 223 O ILE A 16 20.468 11.077 1.234 1.00 0.00 O ATOM 224 CB ILE A 16 20.556 8.871 2.960 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.869 8.744 2.183 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.379 8.463 2.087 1.00 0.00 C ATOM 227 CD1 ILE A 16 22.220 7.322 1.805 1.00 0.00 C ATOM 0 H ILE A 16 18.980 10.472 5.039 1.00 0.00 H new ATOM 0 HA ILE A 16 21.060 10.443 4.350 1.00 0.00 H new ATOM 0 HB ILE A 16 20.583 8.195 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.803 9.345 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.678 9.160 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.529 7.446 1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.460 8.509 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.303 9.142 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 16 23.162 7.313 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.319 6.719 2.708 1.00 0.00 H new ATOM 0 HD13 ILE A 16 21.432 6.907 1.177 1.00 0.00 H new ATOM 239 N THR A 17 21.416 12.381 2.795 1.00 0.00 N ATOM 240 CA THR A 17 21.862 13.368 1.824 1.00 0.00 C ATOM 241 C THR A 17 22.521 12.659 0.654 1.00 0.00 C ATOM 242 O THR A 17 23.538 11.984 0.819 1.00 0.00 O ATOM 243 CB THR A 17 22.861 14.367 2.432 1.00 0.00 C ATOM 244 OG1 THR A 17 23.817 13.673 3.242 1.00 0.00 O ATOM 245 CG2 THR A 17 22.142 15.416 3.266 1.00 0.00 C ATOM 0 H THR A 17 21.642 12.601 3.765 1.00 0.00 H new ATOM 0 HA THR A 17 20.986 13.927 1.494 1.00 0.00 H new ATOM 0 HB THR A 17 23.378 14.872 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.127 12.872 2.769 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.871 16.110 3.685 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.440 15.963 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.599 14.928 4.075 1.00 0.00 H new ATOM 253 N LEU A 18 21.939 12.807 -0.526 1.00 0.00 N ATOM 254 CA LEU A 18 22.459 12.155 -1.709 1.00 0.00 C ATOM 255 C LEU A 18 23.696 12.871 -2.242 1.00 0.00 C ATOM 256 O LEU A 18 23.925 12.925 -3.450 1.00 0.00 O ATOM 257 CB LEU A 18 21.380 12.094 -2.789 1.00 0.00 C ATOM 258 CG LEU A 18 20.513 10.831 -2.774 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.381 9.590 -2.912 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.689 10.762 -1.500 1.00 0.00 C ATOM 0 H LEU A 18 21.106 13.374 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 18 22.752 11.142 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.730 12.963 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.860 12.175 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 18 19.830 10.874 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.750 8.701 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.929 9.632 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.087 9.545 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.080 9.858 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.354 10.743 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.040 11.636 -1.439 1.00 0.00 H new ATOM 272 N THR A 19 24.491 13.410 -1.329 1.00 0.00 N ATOM 273 CA THR A 19 25.706 14.123 -1.693 1.00 0.00 C ATOM 274 C THR A 19 26.900 13.178 -1.701 1.00 0.00 C ATOM 275 O THR A 19 28.033 13.590 -1.951 1.00 0.00 O ATOM 276 CB THR A 19 25.981 15.281 -0.718 1.00 0.00 C ATOM 277 OG1 THR A 19 26.328 14.763 0.571 1.00 0.00 O ATOM 278 CG2 THR A 19 24.759 16.177 -0.594 1.00 0.00 C ATOM 0 H THR A 19 24.315 13.366 -0.325 1.00 0.00 H new ATOM 0 HA THR A 19 25.560 14.531 -2.693 1.00 0.00 H new ATOM 0 HB THR A 19 26.811 15.870 -1.108 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.503 15.506 1.186 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.973 16.990 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.510 16.590 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.917 15.594 -0.221 1.00 0.00 H new ATOM 286 N GLU A 20 26.631 11.908 -1.423 1.00 0.00 N ATOM 287 CA GLU A 20 27.672 10.889 -1.395 1.00 0.00 C ATOM 288 C GLU A 20 27.598 10.003 -2.635 1.00 0.00 C ATOM 289 O GLU A 20 26.684 10.136 -3.449 1.00 0.00 O ATOM 290 CB GLU A 20 27.537 10.038 -0.131 1.00 0.00 C ATOM 291 CG GLU A 20 27.763 10.817 1.155 1.00 0.00 C ATOM 292 CD GLU A 20 29.178 11.349 1.274 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.448 12.443 0.737 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.015 10.672 1.906 1.00 0.00 O ATOM 0 H GLU A 20 25.696 11.559 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 20 28.641 11.387 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.542 9.594 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.252 9.216 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 20 27.061 11.650 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.548 10.173 2.008 1.00 0.00 H new ATOM 301 N THR A 21 28.563 9.099 -2.770 1.00 0.00 N ATOM 302 CA THR A 21 28.608 8.191 -3.911 1.00 0.00 C ATOM 303 C THR A 21 28.847 6.756 -3.466 1.00 0.00 C ATOM 304 O THR A 21 28.348 5.811 -4.078 1.00 0.00 O ATOM 305 CB THR A 21 29.715 8.583 -4.898 1.00 0.00 C ATOM 306 OG1 THR A 21 30.907 8.935 -4.186 1.00 0.00 O ATOM 307 CG2 THR A 21 29.276 9.745 -5.777 1.00 0.00 C ATOM 0 H THR A 21 29.325 8.976 -2.103 1.00 0.00 H new ATOM 0 HA THR A 21 27.639 8.266 -4.404 1.00 0.00 H new ATOM 0 HB THR A 21 29.918 7.725 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.608 9.182 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.079 10.003 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.389 9.459 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 21 29.045 10.607 -5.152 1.00 0.00 H new ATOM 315 N ARG A 22 29.613 6.606 -2.397 1.00 0.00 N ATOM 316 CA ARG A 22 29.928 5.290 -1.855 1.00 0.00 C ATOM 317 C ARG A 22 29.457 5.189 -0.412 1.00 0.00 C ATOM 318 O ARG A 22 29.309 6.204 0.270 1.00 0.00 O ATOM 319 CB ARG A 22 31.425 5.019 -1.935 1.00 0.00 C ATOM 320 CG ARG A 22 32.006 5.195 -3.329 1.00 0.00 C ATOM 321 CD ARG A 22 33.496 4.897 -3.357 1.00 0.00 C ATOM 322 NE ARG A 22 34.244 5.751 -2.439 1.00 0.00 N ATOM 323 CZ ARG A 22 35.572 5.767 -2.361 1.00 0.00 C ATOM 324 NH1 ARG A 22 36.296 4.983 -3.148 1.00 0.00 N ATOM 325 NH2 ARG A 22 36.176 6.570 -1.496 1.00 0.00 N ATOM 0 H ARG A 22 30.031 7.382 -1.884 1.00 0.00 H new ATOM 0 HA ARG A 22 29.408 4.541 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.943 5.688 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.619 4.001 -1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.489 4.534 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.832 6.216 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.661 3.852 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.874 5.036 -4.370 1.00 0.00 H new ATOM 0 HE ARG A 22 33.718 6.371 -1.822 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.835 4.365 -3.816 1.00 0.00 H new ATOM 0 HH12 ARG A 22 37.314 4.998 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.622 7.176 -0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 22 37.194 6.582 -1.436 1.00 0.00 H new ATOM 339 N PHE A 23 29.219 3.966 0.059 1.00 0.00 N ATOM 340 CA PHE A 23 28.741 3.751 1.420 1.00 0.00 C ATOM 341 C PHE A 23 29.349 2.498 2.045 1.00 0.00 C ATOM 342 O PHE A 23 29.092 2.204 3.212 1.00 0.00 O ATOM 343 CB PHE A 23 27.213 3.631 1.421 1.00 0.00 C ATOM 344 CG PHE A 23 26.529 4.634 0.539 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.497 4.453 -0.834 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.929 5.760 1.077 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.884 5.375 -1.654 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.310 6.688 0.260 1.00 0.00 C ATOM 349 CZ PHE A 23 25.287 6.495 -1.108 1.00 0.00 C ATOM 0 H PHE A 23 29.350 3.111 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 23 29.050 4.609 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.936 2.628 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.849 3.749 2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.958 3.578 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.945 5.915 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.870 5.222 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.845 7.563 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.804 7.218 -1.749 1.00 0.00 H new ATOM 359 N LYS A 24 30.172 1.768 1.282 1.00 0.00 N ATOM 360 CA LYS A 24 30.790 0.540 1.792 1.00 0.00 C ATOM 361 C LYS A 24 29.727 -0.407 2.330 1.00 0.00 C ATOM 362 O LYS A 24 28.545 -0.068 2.373 1.00 0.00 O ATOM 363 CB LYS A 24 31.784 0.847 2.918 1.00 0.00 C ATOM 364 CG LYS A 24 32.106 2.322 3.091 1.00 0.00 C ATOM 365 CD LYS A 24 33.260 2.531 4.058 1.00 0.00 C ATOM 366 CE LYS A 24 33.755 3.968 4.034 1.00 0.00 C ATOM 367 NZ LYS A 24 34.861 4.191 5.005 1.00 0.00 N ATOM 0 H LYS A 24 30.423 2.003 0.322 1.00 0.00 H new ATOM 0 HA LYS A 24 31.319 0.074 0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.381 0.464 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.710 0.306 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 24 32.358 2.756 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.224 2.848 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.941 2.272 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.078 1.859 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.098 4.217 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.929 4.640 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 35.170 5.183 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.527 3.978 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 35.660 3.568 4.770 1.00 0.00 H new ATOM 381 N THR A 25 30.144 -1.601 2.735 1.00 0.00 N ATOM 382 CA THR A 25 29.218 -2.549 3.311 1.00 0.00 C ATOM 383 C THR A 25 28.886 -2.104 4.731 1.00 0.00 C ATOM 384 O THR A 25 29.506 -1.179 5.254 1.00 0.00 O ATOM 385 CB THR A 25 29.790 -3.981 3.337 1.00 0.00 C ATOM 386 OG1 THR A 25 31.171 -3.953 3.718 1.00 0.00 O ATOM 387 CG2 THR A 25 29.640 -4.677 1.982 1.00 0.00 C ATOM 0 H THR A 25 31.109 -1.927 2.673 1.00 0.00 H new ATOM 0 HA THR A 25 28.322 -2.571 2.691 1.00 0.00 H new ATOM 0 HB THR A 25 29.219 -4.550 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.525 -4.867 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.055 -5.683 2.042 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.584 -4.735 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.174 -4.109 1.220 1.00 0.00 H new ATOM 395 N GLY A 26 27.917 -2.754 5.355 1.00 0.00 N ATOM 396 CA GLY A 26 27.538 -2.394 6.709 1.00 0.00 C ATOM 397 C GLY A 26 26.689 -1.134 6.771 1.00 0.00 C ATOM 398 O GLY A 26 25.891 -0.968 7.693 1.00 0.00 O ATOM 0 H GLY A 26 27.385 -3.524 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.987 -3.220 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.438 -2.249 7.306 1.00 0.00 H new ATOM 402 N THR A 27 26.862 -0.239 5.794 1.00 0.00 N ATOM 403 CA THR A 27 26.097 1.005 5.748 1.00 0.00 C ATOM 404 C THR A 27 24.597 0.709 5.737 1.00 0.00 C ATOM 405 O THR A 27 24.193 -0.428 5.501 1.00 0.00 O ATOM 406 CB THR A 27 26.468 1.825 4.501 1.00 0.00 C ATOM 407 OG1 THR A 27 26.197 3.214 4.727 1.00 0.00 O ATOM 408 CG2 THR A 27 25.696 1.351 3.280 1.00 0.00 C ATOM 0 H THR A 27 27.524 -0.355 5.027 1.00 0.00 H new ATOM 0 HA THR A 27 26.342 1.584 6.638 1.00 0.00 H new ATOM 0 HB THR A 27 27.532 1.684 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 27 27.027 3.728 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.980 1.950 2.415 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.927 0.303 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.627 1.459 3.461 1.00 0.00 H new ATOM 416 N THR A 28 23.768 1.724 5.980 1.00 0.00 N ATOM 417 CA THR A 28 22.323 1.510 5.992 1.00 0.00 C ATOM 418 C THR A 28 21.532 2.790 5.710 1.00 0.00 C ATOM 419 O THR A 28 21.684 3.795 6.403 1.00 0.00 O ATOM 420 CB THR A 28 21.863 0.921 7.340 1.00 0.00 C ATOM 421 OG1 THR A 28 22.514 -0.333 7.577 1.00 0.00 O ATOM 422 CG2 THR A 28 20.355 0.724 7.365 1.00 0.00 C ATOM 0 H THR A 28 24.064 2.682 6.167 1.00 0.00 H new ATOM 0 HA THR A 28 22.118 0.803 5.188 1.00 0.00 H new ATOM 0 HB THR A 28 22.133 1.627 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.921 -0.653 6.745 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.058 0.307 8.328 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.860 1.684 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.064 0.039 6.568 1.00 0.00 H new ATOM 430 N LEU A 29 20.686 2.732 4.681 1.00 0.00 N ATOM 431 CA LEU A 29 19.873 3.880 4.284 1.00 0.00 C ATOM 432 C LEU A 29 18.520 3.867 4.994 1.00 0.00 C ATOM 433 O LEU A 29 18.297 3.071 5.906 1.00 0.00 O ATOM 434 CB LEU A 29 19.658 3.890 2.766 1.00 0.00 C ATOM 435 CG LEU A 29 20.912 4.156 1.928 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.829 2.945 1.936 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.530 4.521 0.502 1.00 0.00 C ATOM 0 H LEU A 29 20.546 1.900 4.107 1.00 0.00 H new ATOM 0 HA LEU A 29 20.411 4.782 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.240 2.928 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.913 4.649 2.526 1.00 0.00 H new ATOM 0 HG LEU A 29 21.448 4.996 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.714 3.155 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 29 22.130 2.723 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.302 2.087 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.433 4.707 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.972 3.699 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.912 5.419 0.509 1.00 0.00 H new ATOM 449 N LYS A 30 17.617 4.754 4.570 1.00 0.00 N ATOM 450 CA LYS A 30 16.285 4.836 5.169 1.00 0.00 C ATOM 451 C LYS A 30 15.218 4.325 4.206 1.00 0.00 C ATOM 452 O LYS A 30 14.827 3.161 4.261 1.00 0.00 O ATOM 453 CB LYS A 30 15.960 6.276 5.579 1.00 0.00 C ATOM 454 CG LYS A 30 14.838 6.373 6.601 1.00 0.00 C ATOM 455 CD LYS A 30 15.200 5.666 7.898 1.00 0.00 C ATOM 456 CE LYS A 30 13.993 5.515 8.810 1.00 0.00 C ATOM 457 NZ LYS A 30 13.416 6.833 9.190 1.00 0.00 N ATOM 0 H LYS A 30 17.784 5.422 3.818 1.00 0.00 H new ATOM 0 HA LYS A 30 16.286 4.205 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.857 6.741 5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.684 6.845 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.621 7.421 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.930 5.934 6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.612 4.682 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.978 6.228 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.232 4.917 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.284 4.973 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.672 6.694 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.164 7.439 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.008 7.289 8.349 1.00 0.00 H new ATOM 471 N TYR A 31 14.754 5.209 3.327 1.00 0.00 N ATOM 472 CA TYR A 31 13.735 4.864 2.339 1.00 0.00 C ATOM 473 C TYR A 31 12.366 4.638 2.979 1.00 0.00 C ATOM 474 O TYR A 31 12.238 3.972 4.007 1.00 0.00 O ATOM 475 CB TYR A 31 14.157 3.632 1.535 1.00 0.00 C ATOM 476 CG TYR A 31 15.062 3.958 0.368 1.00 0.00 C ATOM 477 CD1 TYR A 31 14.536 4.417 -0.832 1.00 0.00 C ATOM 478 CD2 TYR A 31 16.439 3.811 0.468 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.356 4.721 -1.902 1.00 0.00 C ATOM 480 CE2 TYR A 31 17.266 4.112 -0.598 1.00 0.00 C ATOM 481 CZ TYR A 31 16.720 4.566 -1.780 1.00 0.00 C ATOM 482 OH TYR A 31 17.541 4.867 -2.842 1.00 0.00 O ATOM 0 H TYR A 31 15.070 6.177 3.279 1.00 0.00 H new ATOM 0 HA TYR A 31 13.643 5.714 1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.668 2.933 2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.265 3.127 1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.467 4.539 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 31 16.870 3.456 1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.931 5.078 -2.828 1.00 0.00 H new ATOM 0 HE2 TYR A 31 18.335 3.992 -0.505 1.00 0.00 H new ATOM 0 HH TYR A 31 18.474 4.704 -2.591 1.00 0.00 H new ATOM 492 N THR A 32 11.348 5.209 2.342 1.00 0.00 N ATOM 493 CA THR A 32 9.970 5.095 2.807 1.00 0.00 C ATOM 494 C THR A 32 9.106 4.370 1.774 1.00 0.00 C ATOM 495 O THR A 32 9.582 4.029 0.694 1.00 0.00 O ATOM 496 CB THR A 32 9.377 6.488 3.097 1.00 0.00 C ATOM 497 OG1 THR A 32 7.945 6.432 3.118 1.00 0.00 O ATOM 498 CG2 THR A 32 9.841 7.494 2.055 1.00 0.00 C ATOM 0 H THR A 32 11.455 5.762 1.492 1.00 0.00 H new ATOM 0 HA THR A 32 9.976 4.514 3.729 1.00 0.00 H new ATOM 0 HB THR A 32 9.730 6.809 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.585 7.324 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.412 8.471 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.929 7.562 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.515 7.170 1.066 1.00 0.00 H new ATOM 506 N CYS A 33 7.835 4.141 2.105 1.00 0.00 N ATOM 507 CA CYS A 33 6.927 3.439 1.199 1.00 0.00 C ATOM 508 C CYS A 33 5.710 4.291 0.830 1.00 0.00 C ATOM 509 O CYS A 33 4.900 4.669 1.676 1.00 0.00 O ATOM 510 CB CYS A 33 6.453 2.133 1.845 1.00 0.00 C ATOM 511 SG CYS A 33 7.772 1.178 2.666 1.00 0.00 S ATOM 0 H CYS A 33 7.413 4.429 2.988 1.00 0.00 H new ATOM 0 HA CYS A 33 7.480 3.228 0.284 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.679 2.364 2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.992 1.509 1.079 1.00 0.00 H new ATOM 516 N LEU A 34 5.629 4.579 -0.473 1.00 0.00 N ATOM 517 CA LEU A 34 4.568 5.400 -1.055 1.00 0.00 C ATOM 518 C LEU A 34 3.180 4.983 -0.563 1.00 0.00 C ATOM 519 O LEU A 34 3.017 3.930 0.046 1.00 0.00 O ATOM 520 CB LEU A 34 4.632 5.319 -2.583 1.00 0.00 C ATOM 521 CG LEU A 34 5.933 5.834 -3.205 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.924 5.624 -4.711 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.140 7.305 -2.872 1.00 0.00 C ATOM 0 H LEU A 34 6.306 4.244 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 34 4.730 6.428 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.490 4.281 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.799 5.887 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 34 6.763 5.267 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.856 5.996 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.824 4.561 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.085 6.165 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.070 7.653 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.306 7.888 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.192 7.429 -1.790 1.00 0.00 H new ATOM 535 N PRO A 35 2.160 5.827 -0.809 1.00 0.00 N ATOM 536 CA PRO A 35 0.784 5.545 -0.397 1.00 0.00 C ATOM 537 C PRO A 35 0.131 4.450 -1.238 1.00 0.00 C ATOM 538 O PRO A 35 -0.202 4.664 -2.402 1.00 0.00 O ATOM 539 CB PRO A 35 0.051 6.881 -0.604 1.00 0.00 C ATOM 540 CG PRO A 35 1.118 7.891 -0.878 1.00 0.00 C ATOM 541 CD PRO A 35 2.261 7.130 -1.477 1.00 0.00 C ATOM 0 HA PRO A 35 0.746 5.179 0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.651 6.818 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.526 7.152 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.761 8.661 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.423 8.396 0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.166 7.040 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.218 7.614 -1.281 1.00 0.00 H new ATOM 549 N GLY A 36 -0.051 3.281 -0.630 1.00 0.00 N ATOM 550 CA GLY A 36 -0.690 2.186 -1.346 1.00 0.00 C ATOM 551 C GLY A 36 -0.163 0.818 -0.955 1.00 0.00 C ATOM 552 O GLY A 36 -0.736 -0.204 -1.336 1.00 0.00 O ATOM 0 H GLY A 36 0.226 3.072 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.764 2.219 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.546 2.330 -2.417 1.00 0.00 H new ATOM 556 N TYR A 37 0.925 0.794 -0.197 1.00 0.00 N ATOM 557 CA TYR A 37 1.498 -0.462 0.267 1.00 0.00 C ATOM 558 C TYR A 37 0.744 -0.921 1.505 1.00 0.00 C ATOM 559 O TYR A 37 0.230 -0.094 2.259 1.00 0.00 O ATOM 560 CB TYR A 37 2.985 -0.292 0.584 1.00 0.00 C ATOM 561 CG TYR A 37 3.821 0.158 -0.596 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.722 1.453 -1.088 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.712 -0.709 -1.214 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.488 1.870 -2.158 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.482 -0.298 -2.286 1.00 0.00 C ATOM 566 CZ TYR A 37 5.365 0.993 -2.752 1.00 0.00 C ATOM 567 OH TYR A 37 6.127 1.409 -3.820 1.00 0.00 O ATOM 0 H TYR A 37 1.427 1.627 0.109 1.00 0.00 H new ATOM 0 HA TYR A 37 1.406 -1.212 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.093 0.434 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.377 -1.239 0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.034 2.145 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.805 -1.722 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.399 2.881 -2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.171 -0.985 -2.755 1.00 0.00 H new ATOM 0 HH TYR A 37 6.305 2.369 -3.740 1.00 0.00 H new ATOM 577 N VAL A 38 0.666 -2.228 1.729 1.00 0.00 N ATOM 578 CA VAL A 38 -0.047 -2.796 2.862 1.00 0.00 C ATOM 579 C VAL A 38 0.795 -3.888 3.518 1.00 0.00 C ATOM 580 O VAL A 38 2.023 -3.885 3.430 1.00 0.00 O ATOM 581 CB VAL A 38 -1.387 -3.394 2.400 1.00 0.00 C ATOM 582 CG1 VAL A 38 -2.242 -2.341 1.711 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.142 -4.561 1.470 1.00 0.00 C ATOM 0 H VAL A 38 1.099 -2.926 1.124 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.237 -2.003 3.585 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.926 -3.748 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.184 -2.788 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.443 -1.525 2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.712 -1.955 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.097 -4.977 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.583 -4.221 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.569 -5.328 1.992 1.00 0.00 H new ATOM 593 N ARG A 39 0.096 -4.810 4.181 1.00 0.00 N ATOM 594 CA ARG A 39 0.708 -5.937 4.888 1.00 0.00 C ATOM 595 C ARG A 39 2.029 -6.376 4.272 1.00 0.00 C ATOM 596 O ARG A 39 2.050 -7.117 3.294 1.00 0.00 O ATOM 597 CB ARG A 39 -0.259 -7.119 4.914 1.00 0.00 C ATOM 598 CG ARG A 39 0.231 -8.296 5.741 1.00 0.00 C ATOM 599 CD ARG A 39 0.144 -8.006 7.231 1.00 0.00 C ATOM 600 NE ARG A 39 -1.226 -7.724 7.651 1.00 0.00 N ATOM 601 CZ ARG A 39 -1.622 -7.712 8.920 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.757 -7.972 9.891 1.00 0.00 N ATOM 603 NH2 ARG A 39 -2.885 -7.440 9.220 1.00 0.00 N ATOM 0 H ARG A 39 -0.922 -4.796 4.243 1.00 0.00 H new ATOM 0 HA ARG A 39 0.921 -5.596 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.218 -6.783 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.436 -7.454 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.363 -9.179 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.263 -8.525 5.474 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.527 -8.860 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.781 -7.155 7.473 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.919 -7.525 6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.215 -8.182 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.064 -7.962 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.554 -7.240 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.187 -7.431 10.194 1.00 0.00 H new ATOM 617 N SER A 40 3.128 -5.926 4.871 1.00 0.00 N ATOM 618 CA SER A 40 4.465 -6.270 4.398 1.00 0.00 C ATOM 619 C SER A 40 5.525 -5.579 5.242 1.00 0.00 C ATOM 620 O SER A 40 6.723 -5.782 5.042 1.00 0.00 O ATOM 621 CB SER A 40 4.640 -5.873 2.935 1.00 0.00 C ATOM 622 OG SER A 40 5.950 -6.163 2.479 1.00 0.00 O ATOM 0 H SER A 40 3.118 -5.318 5.690 1.00 0.00 H new ATOM 0 HA SER A 40 4.584 -7.350 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.912 -6.405 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.439 -4.808 2.818 1.00 0.00 H new ATOM 0 HG SER A 40 6.558 -6.222 3.246 1.00 0.00 H new ATOM 628 N HIS A 41 5.077 -4.761 6.187 1.00 0.00 N ATOM 629 CA HIS A 41 5.996 -4.034 7.054 1.00 0.00 C ATOM 630 C HIS A 41 6.821 -4.987 7.905 1.00 0.00 C ATOM 631 O HIS A 41 6.289 -5.732 8.727 1.00 0.00 O ATOM 632 CB HIS A 41 5.240 -3.053 7.950 1.00 0.00 C ATOM 633 CG HIS A 41 3.960 -3.599 8.503 1.00 0.00 C ATOM 634 ND1 HIS A 41 2.755 -3.518 7.836 1.00 0.00 N ATOM 635 CD2 HIS A 41 3.700 -4.235 9.669 1.00 0.00 C ATOM 636 CE1 HIS A 41 1.810 -4.080 8.568 1.00 0.00 C ATOM 637 NE2 HIS A 41 2.357 -4.524 9.684 1.00 0.00 N ATOM 0 H HIS A 41 4.089 -4.585 6.372 1.00 0.00 H new ATOM 0 HA HIS A 41 6.674 -3.471 6.413 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.886 -2.760 8.778 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.022 -2.150 7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.415 -4.471 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.767 -4.162 8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.863 -5.004 10.436 1.00 0.00 H new ATOM 646 N SER A 42 8.129 -4.953 7.692 1.00 0.00 N ATOM 647 CA SER A 42 9.054 -5.800 8.430 1.00 0.00 C ATOM 648 C SER A 42 10.447 -5.191 8.414 1.00 0.00 C ATOM 649 O SER A 42 11.324 -5.592 9.178 1.00 0.00 O ATOM 650 CB SER A 42 9.089 -7.205 7.824 1.00 0.00 C ATOM 651 OG SER A 42 9.928 -8.065 8.574 1.00 0.00 O ATOM 0 H SER A 42 8.576 -4.342 7.008 1.00 0.00 H new ATOM 0 HA SER A 42 8.711 -5.873 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.080 -7.615 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.445 -7.152 6.795 1.00 0.00 H new ATOM 0 HG SER A 42 10.638 -7.540 9.000 1.00 0.00 H new ATOM 657 N THR A 43 10.638 -4.214 7.533 1.00 0.00 N ATOM 658 CA THR A 43 11.922 -3.537 7.397 1.00 0.00 C ATOM 659 C THR A 43 11.785 -2.281 6.541 1.00 0.00 C ATOM 660 O THR A 43 10.673 -1.852 6.234 1.00 0.00 O ATOM 661 CB THR A 43 12.981 -4.453 6.752 1.00 0.00 C ATOM 662 OG1 THR A 43 12.594 -5.827 6.874 1.00 0.00 O ATOM 663 CG2 THR A 43 14.341 -4.251 7.402 1.00 0.00 C ATOM 0 H THR A 43 9.915 -3.872 6.900 1.00 0.00 H new ATOM 0 HA THR A 43 12.244 -3.269 8.403 1.00 0.00 H new ATOM 0 HB THR A 43 13.052 -4.190 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.275 -6.397 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.071 -4.908 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.653 -3.214 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.275 -4.486 8.464 1.00 0.00 H new ATOM 671 N GLN A 44 12.928 -1.704 6.165 1.00 0.00 N ATOM 672 CA GLN A 44 12.969 -0.500 5.335 1.00 0.00 C ATOM 673 C GLN A 44 14.370 0.103 5.348 1.00 0.00 C ATOM 674 O GLN A 44 14.562 1.234 5.791 1.00 0.00 O ATOM 675 CB GLN A 44 11.952 0.541 5.823 1.00 0.00 C ATOM 676 CG GLN A 44 12.100 0.903 7.292 1.00 0.00 C ATOM 677 CD GLN A 44 11.061 1.907 7.754 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.943 1.941 7.241 1.00 0.00 O ATOM 679 NE2 GLN A 44 11.427 2.732 8.727 1.00 0.00 N ATOM 0 H GLN A 44 13.848 -2.057 6.427 1.00 0.00 H new ATOM 0 HA GLN A 44 12.709 -0.786 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.056 1.445 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.945 0.159 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.019 -0.001 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.096 1.312 7.463 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.365 2.669 9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.771 3.429 9.078 1.00 0.00 H new ATOM 688 N THR A 45 15.347 -0.657 4.854 1.00 0.00 N ATOM 689 CA THR A 45 16.732 -0.196 4.832 1.00 0.00 C ATOM 690 C THR A 45 17.547 -0.896 3.749 1.00 0.00 C ATOM 691 O THR A 45 17.345 -2.077 3.465 1.00 0.00 O ATOM 692 CB THR A 45 17.426 -0.441 6.187 1.00 0.00 C ATOM 693 OG1 THR A 45 17.319 -1.823 6.549 1.00 0.00 O ATOM 694 CG2 THR A 45 16.822 0.421 7.284 1.00 0.00 C ATOM 0 H THR A 45 15.205 -1.590 4.466 1.00 0.00 H new ATOM 0 HA THR A 45 16.691 0.873 4.622 1.00 0.00 H new ATOM 0 HB THR A 45 18.476 -0.169 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.764 -1.971 7.410 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.334 0.223 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.935 1.473 7.023 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.763 0.185 7.391 1.00 0.00 H new ATOM 702 N LEU A 46 18.470 -0.150 3.152 1.00 0.00 N ATOM 703 CA LEU A 46 19.349 -0.682 2.118 1.00 0.00 C ATOM 704 C LEU A 46 20.762 -0.791 2.681 1.00 0.00 C ATOM 705 O LEU A 46 21.400 0.218 2.979 1.00 0.00 O ATOM 706 CB LEU A 46 19.339 0.213 0.873 1.00 0.00 C ATOM 707 CG LEU A 46 18.237 -0.100 -0.147 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.869 -0.064 0.514 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.292 0.877 -1.315 1.00 0.00 C ATOM 0 H LEU A 46 18.629 0.834 3.369 1.00 0.00 H new ATOM 0 HA LEU A 46 18.993 -1.668 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.233 1.250 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.306 0.129 0.377 1.00 0.00 H new ATOM 0 HG LEU A 46 18.405 -1.105 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.101 -0.289 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.831 -0.805 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.692 0.928 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.502 0.638 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.152 1.893 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.261 0.800 -1.808 1.00 0.00 H new ATOM 721 N THR A 47 21.244 -2.019 2.829 1.00 0.00 N ATOM 722 CA THR A 47 22.581 -2.253 3.357 1.00 0.00 C ATOM 723 C THR A 47 23.471 -2.864 2.290 1.00 0.00 C ATOM 724 O THR A 47 23.033 -3.733 1.538 1.00 0.00 O ATOM 725 CB THR A 47 22.552 -3.198 4.574 1.00 0.00 C ATOM 726 OG1 THR A 47 21.653 -2.693 5.568 1.00 0.00 O ATOM 727 CG2 THR A 47 23.941 -3.353 5.176 1.00 0.00 C ATOM 0 H THR A 47 20.729 -2.867 2.591 1.00 0.00 H new ATOM 0 HA THR A 47 22.977 -1.287 3.669 1.00 0.00 H new ATOM 0 HB THR A 47 22.208 -4.175 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.640 -3.301 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.893 -4.025 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.618 -3.767 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.309 -2.379 5.498 1.00 0.00 H new ATOM 735 N CYS A 48 24.718 -2.415 2.218 1.00 0.00 N ATOM 736 CA CYS A 48 25.633 -2.959 1.238 1.00 0.00 C ATOM 737 C CYS A 48 26.019 -4.359 1.682 1.00 0.00 C ATOM 738 O CYS A 48 26.653 -4.545 2.722 1.00 0.00 O ATOM 739 CB CYS A 48 26.857 -2.061 1.073 1.00 0.00 C ATOM 740 SG CYS A 48 28.112 -2.707 -0.075 1.00 0.00 S ATOM 0 H CYS A 48 25.109 -1.688 2.818 1.00 0.00 H new ATOM 0 HA CYS A 48 25.153 -3.007 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.530 -1.082 0.722 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.318 -1.912 2.050 1.00 0.00 H new ATOM 745 N ASN A 49 25.628 -5.337 0.885 1.00 0.00 N ATOM 746 CA ASN A 49 25.935 -6.725 1.176 1.00 0.00 C ATOM 747 C ASN A 49 27.224 -7.131 0.477 1.00 0.00 C ATOM 748 O ASN A 49 27.932 -6.288 -0.071 1.00 0.00 O ATOM 749 CB ASN A 49 24.788 -7.620 0.715 1.00 0.00 C ATOM 750 CG ASN A 49 24.391 -7.325 -0.713 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.955 -7.879 -1.649 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.423 -6.441 -0.886 1.00 0.00 N ATOM 0 H ASN A 49 25.095 -5.194 0.027 1.00 0.00 H new ATOM 0 HA ASN A 49 26.065 -6.841 2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.084 -8.665 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.928 -7.476 1.369 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.118 -6.196 -1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 49 22.981 -6.004 -0.077 1.00 0.00 H new ATOM 759 N SER A 50 27.525 -8.421 0.496 1.00 0.00 N ATOM 760 CA SER A 50 28.728 -8.921 -0.150 1.00 0.00 C ATOM 761 C SER A 50 28.365 -9.670 -1.438 1.00 0.00 C ATOM 762 O SER A 50 28.713 -10.837 -1.620 1.00 0.00 O ATOM 763 CB SER A 50 29.500 -9.833 0.804 1.00 0.00 C ATOM 764 OG SER A 50 30.656 -10.366 0.180 1.00 0.00 O ATOM 0 H SER A 50 26.956 -9.136 0.949 1.00 0.00 H new ATOM 0 HA SER A 50 29.365 -8.076 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 50 29.789 -9.273 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 50 28.855 -10.646 1.136 1.00 0.00 H new ATOM 0 HG SER A 50 30.388 -10.954 -0.557 1.00 0.00 H new ATOM 770 N ASP A 51 27.657 -8.969 -2.322 1.00 0.00 N ATOM 771 CA ASP A 51 27.229 -9.500 -3.618 1.00 0.00 C ATOM 772 C ASP A 51 27.649 -8.538 -4.721 1.00 0.00 C ATOM 773 O ASP A 51 28.074 -8.955 -5.798 1.00 0.00 O ATOM 774 CB ASP A 51 25.708 -9.673 -3.646 1.00 0.00 C ATOM 775 CG ASP A 51 25.239 -10.810 -2.759 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.308 -11.975 -3.201 1.00 0.00 O ATOM 777 OD2 ASP A 51 24.804 -10.534 -1.621 1.00 0.00 O ATOM 0 H ASP A 51 27.361 -8.007 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 51 27.698 -10.471 -3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.234 -8.746 -3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.385 -9.858 -4.670 1.00 0.00 H new ATOM 782 N GLY A 52 27.524 -7.248 -4.437 1.00 0.00 N ATOM 783 CA GLY A 52 27.894 -6.235 -5.405 1.00 0.00 C ATOM 784 C GLY A 52 26.863 -5.124 -5.461 1.00 0.00 C ATOM 785 O GLY A 52 26.986 -4.172 -6.231 1.00 0.00 O ATOM 0 H GLY A 52 27.172 -6.885 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.867 -5.818 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.995 -6.690 -6.390 1.00 0.00 H new ATOM 789 N GLU A 53 25.842 -5.274 -4.620 1.00 0.00 N ATOM 790 CA GLU A 53 24.756 -4.298 -4.568 1.00 0.00 C ATOM 791 C GLU A 53 24.074 -4.249 -3.207 1.00 0.00 C ATOM 792 O GLU A 53 24.619 -4.695 -2.199 1.00 0.00 O ATOM 793 CB GLU A 53 23.721 -4.627 -5.642 1.00 0.00 C ATOM 794 CG GLU A 53 23.218 -6.060 -5.577 1.00 0.00 C ATOM 795 CD GLU A 53 24.099 -7.024 -6.347 1.00 0.00 C ATOM 796 OE1 GLU A 53 23.869 -7.200 -7.562 1.00 0.00 O ATOM 797 OE2 GLU A 53 25.021 -7.603 -5.736 1.00 0.00 O ATOM 0 H GLU A 53 25.744 -6.055 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 53 25.196 -3.317 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.875 -3.948 -5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.158 -4.447 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.165 -6.375 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.204 -6.103 -5.975 1.00 0.00 H new ATOM 804 N TRP A 54 22.866 -3.690 -3.205 1.00 0.00 N ATOM 805 CA TRP A 54 22.066 -3.536 -2.003 1.00 0.00 C ATOM 806 C TRP A 54 21.021 -4.637 -1.870 1.00 0.00 C ATOM 807 O TRP A 54 20.154 -4.809 -2.729 1.00 0.00 O ATOM 808 CB TRP A 54 21.390 -2.172 -2.042 1.00 0.00 C ATOM 809 CG TRP A 54 22.348 -1.062 -2.350 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.598 -0.505 -3.569 1.00 0.00 C ATOM 811 CD2 TRP A 54 23.197 -0.391 -1.420 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.548 0.482 -3.451 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.933 0.571 -2.139 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.403 -0.508 -0.048 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.861 1.410 -1.526 1.00 0.00 C ATOM 816 CZ3 TRP A 54 24.321 0.322 0.560 1.00 0.00 C ATOM 817 CH2 TRP A 54 25.041 1.271 -0.177 1.00 0.00 C ATOM 0 H TRP A 54 22.416 -3.330 -4.046 1.00 0.00 H new ATOM 0 HA TRP A 54 22.721 -3.612 -1.135 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.600 -2.184 -2.793 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.913 -1.979 -1.081 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.120 -0.796 -4.492 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.907 1.054 -4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.853 -1.236 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.417 2.142 -2.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 24.488 0.239 1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.753 1.906 0.330 1.00 0.00 H new ATOM 828 N VAL A 55 21.125 -5.375 -0.772 1.00 0.00 N ATOM 829 CA VAL A 55 20.222 -6.472 -0.459 1.00 0.00 C ATOM 830 C VAL A 55 19.190 -5.997 0.558 1.00 0.00 C ATOM 831 O VAL A 55 19.457 -5.055 1.303 1.00 0.00 O ATOM 832 CB VAL A 55 20.999 -7.687 0.094 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.218 -8.400 1.181 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.353 -8.648 -1.029 1.00 0.00 C ATOM 0 H VAL A 55 21.847 -5.226 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 55 19.718 -6.787 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 55 21.921 -7.316 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.795 -9.249 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.027 -7.711 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.270 -8.753 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.900 -9.498 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.439 -9.000 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.974 -8.136 -1.764 1.00 0.00 H new ATOM 844 N TYR A 56 18.027 -6.652 0.609 1.00 0.00 N ATOM 845 CA TYR A 56 17.000 -6.275 1.580 1.00 0.00 C ATOM 846 C TYR A 56 15.680 -6.999 1.335 1.00 0.00 C ATOM 847 O TYR A 56 15.530 -7.713 0.343 1.00 0.00 O ATOM 848 CB TYR A 56 16.756 -4.762 1.543 1.00 0.00 C ATOM 849 CG TYR A 56 16.514 -4.226 0.147 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.284 -4.388 -0.476 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.517 -3.561 -0.548 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.061 -3.904 -1.750 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.301 -3.074 -1.822 1.00 0.00 C ATOM 854 CZ TYR A 56 16.071 -3.249 -2.419 1.00 0.00 C ATOM 855 OH TYR A 56 15.850 -2.766 -3.689 1.00 0.00 O ATOM 0 H TYR A 56 17.777 -7.432 0.001 1.00 0.00 H new ATOM 0 HA TYR A 56 17.373 -6.569 2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.896 -4.525 2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.616 -4.252 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.489 -4.901 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.482 -3.423 -0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.098 -4.039 -2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.091 -2.559 -2.348 1.00 0.00 H new ATOM 0 HH TYR A 56 14.929 -2.439 -3.759 1.00 0.00 H new ATOM 865 N ASN A 57 14.727 -6.815 2.241 1.00 0.00 N ATOM 866 CA ASN A 57 13.423 -7.455 2.118 1.00 0.00 C ATOM 867 C ASN A 57 12.464 -6.577 1.325 1.00 0.00 C ATOM 868 O ASN A 57 12.756 -5.413 1.054 1.00 0.00 O ATOM 869 CB ASN A 57 12.842 -7.747 3.503 1.00 0.00 C ATOM 870 CG ASN A 57 13.712 -8.696 4.305 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.606 -8.270 5.034 1.00 0.00 O ATOM 872 ND2 ASN A 57 13.453 -9.991 4.171 1.00 0.00 N ATOM 0 H ASN A 57 14.833 -6.228 3.069 1.00 0.00 H new ATOM 0 HA ASN A 57 13.554 -8.396 1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.728 -6.812 4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.846 -8.176 3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.006 -10.677 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.701 -10.300 3.555 1.00 0.00 H new ATOM 879 N THR A 58 11.318 -7.139 0.957 1.00 0.00 N ATOM 880 CA THR A 58 10.321 -6.399 0.197 1.00 0.00 C ATOM 881 C THR A 58 9.341 -5.697 1.130 1.00 0.00 C ATOM 882 O THR A 58 8.133 -5.927 1.072 1.00 0.00 O ATOM 883 CB THR A 58 9.542 -7.318 -0.763 1.00 0.00 C ATOM 884 OG1 THR A 58 10.454 -8.148 -1.493 1.00 0.00 O ATOM 885 CG2 THR A 58 8.712 -6.498 -1.739 1.00 0.00 C ATOM 0 H THR A 58 11.058 -8.102 1.172 1.00 0.00 H new ATOM 0 HA THR A 58 10.856 -5.655 -0.393 1.00 0.00 H new ATOM 0 HB THR A 58 8.873 -7.942 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.952 -8.731 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.170 -7.167 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.001 -5.884 -1.186 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.369 -5.854 -2.324 1.00 0.00 H new ATOM 893 N PHE A 59 9.876 -4.845 1.997 1.00 0.00 N ATOM 894 CA PHE A 59 9.058 -4.100 2.944 1.00 0.00 C ATOM 895 C PHE A 59 7.981 -3.302 2.220 1.00 0.00 C ATOM 896 O PHE A 59 8.250 -2.658 1.206 1.00 0.00 O ATOM 897 CB PHE A 59 9.935 -3.163 3.776 1.00 0.00 C ATOM 898 CG PHE A 59 10.932 -2.387 2.961 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.586 -1.173 2.389 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.214 -2.874 2.768 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.501 -0.460 1.639 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.134 -2.166 2.019 1.00 0.00 C ATOM 903 CZ PHE A 59 12.777 -0.958 1.454 1.00 0.00 C ATOM 0 H PHE A 59 10.876 -4.653 2.063 1.00 0.00 H new ATOM 0 HA PHE A 59 8.569 -4.813 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.295 -2.463 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.468 -3.748 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.590 -0.780 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.498 -3.818 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.220 0.485 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.131 -2.557 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.494 -0.403 0.868 1.00 0.00 H new ATOM 913 N CYS A 60 6.760 -3.355 2.748 1.00 0.00 N ATOM 914 CA CYS A 60 5.629 -2.644 2.158 1.00 0.00 C ATOM 915 C CYS A 60 5.300 -3.205 0.779 1.00 0.00 C ATOM 916 O CYS A 60 6.140 -3.180 -0.121 1.00 0.00 O ATOM 917 CB CYS A 60 5.937 -1.148 2.029 1.00 0.00 C ATOM 918 SG CYS A 60 6.794 -0.416 3.457 1.00 0.00 S ATOM 0 H CYS A 60 6.528 -3.886 3.588 1.00 0.00 H new ATOM 0 HA CYS A 60 4.772 -2.781 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.547 -0.993 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.001 -0.612 1.871 1.00 0.00 H new ATOM 923 N ILE A 61 4.083 -3.715 0.607 1.00 0.00 N ATOM 924 CA ILE A 61 3.685 -4.252 -0.686 1.00 0.00 C ATOM 925 C ILE A 61 2.416 -3.606 -1.207 1.00 0.00 C ATOM 926 O ILE A 61 1.349 -3.681 -0.599 1.00 0.00 O ATOM 927 CB ILE A 61 3.517 -5.780 -0.680 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.575 -6.235 0.432 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.873 -6.440 -0.545 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.539 -7.741 0.605 1.00 0.00 C ATOM 0 H ILE A 61 3.369 -3.767 1.333 1.00 0.00 H new ATOM 0 HA ILE A 61 4.508 -4.008 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 61 3.066 -6.082 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.883 -5.775 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.569 -5.876 0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.752 -7.523 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.505 -6.149 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.340 -6.124 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.851 -7.998 1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.203 -8.206 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.537 -8.103 0.851 1.00 0.00 H new ATOM 942 N TYR A 62 2.567 -2.975 -2.352 1.00 0.00 N ATOM 943 CA TYR A 62 1.481 -2.293 -3.035 1.00 0.00 C ATOM 944 C TYR A 62 0.468 -3.286 -3.590 1.00 0.00 C ATOM 945 O TYR A 62 0.785 -4.096 -4.461 1.00 0.00 O ATOM 946 CB TYR A 62 2.058 -1.454 -4.171 1.00 0.00 C ATOM 947 CG TYR A 62 1.420 -0.094 -4.307 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.050 0.048 -4.483 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.199 1.051 -4.246 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.524 1.299 -4.596 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.639 2.304 -4.356 1.00 0.00 C ATOM 952 CZ TYR A 62 0.276 2.426 -4.532 1.00 0.00 C ATOM 953 OH TYR A 62 -0.286 3.673 -4.645 1.00 0.00 O ATOM 0 H TYR A 62 3.459 -2.919 -2.844 1.00 0.00 H new ATOM 0 HA TYR A 62 0.965 -1.653 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.129 -1.328 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.938 -1.997 -5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.575 -0.831 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.266 0.958 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.591 1.397 -4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.262 3.185 -4.305 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.571 3.985 -3.761 1.00 0.00 H new ATOM 963 N LYS A 63 -0.755 -3.212 -3.074 1.00 0.00 N ATOM 964 CA LYS A 63 -1.838 -4.080 -3.514 1.00 0.00 C ATOM 965 C LYS A 63 -3.182 -3.542 -3.043 1.00 0.00 C ATOM 966 O LYS A 63 -3.665 -3.898 -1.969 1.00 0.00 O ATOM 967 CB LYS A 63 -1.634 -5.512 -3.005 1.00 0.00 C ATOM 968 CG LYS A 63 -1.373 -5.604 -1.509 1.00 0.00 C ATOM 969 CD LYS A 63 -1.547 -7.028 -0.999 1.00 0.00 C ATOM 970 CE LYS A 63 -0.593 -7.343 0.137 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.509 -8.804 0.408 1.00 0.00 N ATOM 0 H LYS A 63 -1.021 -2.552 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.831 -4.098 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.518 -6.102 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.796 -5.961 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.361 -5.260 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.055 -4.940 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.573 -7.169 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.381 -7.729 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.399 -6.962 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.920 -6.826 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.090 -8.959 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.463 -9.217 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.085 -9.258 -0.315 1.00 0.00 H new ATOM 985 N ARG A 64 -3.784 -2.675 -3.851 1.00 0.00 N ATOM 986 CA ARG A 64 -5.071 -2.083 -3.522 1.00 0.00 C ATOM 987 C ARG A 64 -6.209 -2.957 -4.037 1.00 0.00 C ATOM 988 O ARG A 64 -5.974 -3.990 -4.661 1.00 0.00 O ATOM 989 CB ARG A 64 -5.172 -0.678 -4.118 1.00 0.00 C ATOM 990 CG ARG A 64 -4.669 -0.587 -5.548 1.00 0.00 C ATOM 991 CD ARG A 64 -3.803 0.644 -5.753 1.00 0.00 C ATOM 992 NE ARG A 64 -4.571 1.880 -5.630 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.036 3.093 -5.726 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.734 3.231 -5.937 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.803 4.169 -5.613 1.00 0.00 N ATOM 0 H ARG A 64 -3.396 -2.367 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.153 -2.013 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.212 -0.353 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.602 0.013 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.096 -1.482 -5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.517 -0.556 -6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.995 0.645 -5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.340 0.601 -6.739 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.574 1.808 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.141 2.406 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.325 4.163 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.805 4.066 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.391 5.099 -5.687 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.439 -2.533 -3.788 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.605 -3.286 -4.221 1.00 0.00 C ATOM 1011 C CYS A 65 -9.371 -2.492 -5.258 1.00 0.00 C ATOM 1012 O CYS A 65 -9.503 -1.273 -5.137 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.512 -3.592 -3.030 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.614 -4.052 -1.517 1.00 0.00 S ATOM 0 H CYS A 65 -7.655 -1.671 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.273 -4.227 -4.659 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.130 -2.718 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.188 -4.403 -3.300 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.873 -3.170 -6.279 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.617 -2.480 -7.314 1.00 0.00 C ATOM 1021 C ARG A 66 -11.791 -1.738 -6.692 1.00 0.00 C ATOM 1022 O ARG A 66 -12.479 -2.259 -5.815 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.095 -3.449 -8.397 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.814 -2.767 -9.551 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.939 -1.715 -10.216 1.00 0.00 C ATOM 1026 NE ARG A 66 -11.595 -1.104 -11.367 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.131 -0.030 -11.999 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.013 0.553 -11.587 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -11.784 0.460 -13.043 1.00 0.00 N ATOM 0 H ARG A 66 -9.780 -4.177 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.956 -1.759 -7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.237 -3.996 -8.787 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.763 -4.183 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.109 -3.514 -10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.729 -2.301 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.687 -0.942 -9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.002 -2.172 -10.534 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.460 -1.525 -11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.508 0.178 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.658 1.377 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.643 0.013 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.427 1.284 -13.527 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.008 -0.520 -7.156 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.089 0.297 -6.636 1.00 0.00 C ATOM 1045 C HIS A 67 -14.428 -0.420 -6.798 1.00 0.00 C ATOM 1046 O HIS A 67 -14.784 -0.825 -7.905 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.115 1.637 -7.369 1.00 0.00 C ATOM 1048 CG HIS A 67 -11.805 2.360 -7.340 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -10.708 1.962 -8.073 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -11.417 3.462 -6.657 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -9.701 2.786 -7.842 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -10.106 3.706 -6.986 1.00 0.00 N ATOM 0 H HIS A 67 -11.453 -0.077 -7.888 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.922 0.472 -5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.405 1.469 -8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.881 2.271 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.025 4.042 -5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.716 2.718 -8.279 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.538 4.473 -6.627 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.194 -0.592 -5.700 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.496 -1.258 -5.757 1.00 0.00 C ATOM 1063 C PRO A 68 -17.388 -0.596 -6.794 1.00 0.00 C ATOM 1064 O PRO A 68 -18.320 -1.212 -7.308 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.062 -1.113 -4.340 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.223 -0.070 -3.679 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.872 -0.139 -4.339 1.00 0.00 C ATOM 0 HA PRO A 68 -16.425 -2.304 -6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.110 -0.815 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.012 -2.058 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.665 0.919 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.143 -0.256 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.374 0.831 -4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.208 -0.836 -3.828 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.094 0.660 -7.102 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.873 1.375 -8.087 1.00 0.00 C ATOM 1077 C GLY A 69 -18.777 2.429 -7.478 1.00 0.00 C ATOM 1078 O GLY A 69 -18.679 2.756 -6.296 1.00 0.00 O ATOM 0 H GLY A 69 -16.331 1.194 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.199 1.850 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.480 0.664 -8.648 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.657 2.948 -8.321 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.591 3.976 -7.893 1.00 0.00 C ATOM 1084 C GLU A 70 -21.751 3.354 -7.117 1.00 0.00 C ATOM 1085 O GLU A 70 -22.279 2.309 -7.492 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.108 4.780 -9.087 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.021 5.932 -8.696 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.480 6.744 -9.890 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.733 7.653 -10.313 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.586 6.474 -10.403 1.00 0.00 O ATOM 0 H GLU A 70 -19.743 2.675 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.061 4.662 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.258 5.174 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.647 4.112 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.892 5.538 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.497 6.585 -7.997 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.133 4.017 -6.027 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.245 3.570 -5.195 1.00 0.00 C ATOM 1099 C LEU A 71 -24.516 4.264 -5.661 1.00 0.00 C ATOM 1100 O LEU A 71 -24.766 5.412 -5.293 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.978 3.903 -3.719 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.626 2.971 -2.681 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.298 3.449 -1.273 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.135 2.887 -2.867 1.00 0.00 C ATOM 0 H LEU A 71 -21.684 4.872 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.356 2.490 -5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.900 3.898 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.324 4.919 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.217 1.972 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.761 2.783 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.217 3.447 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.680 4.460 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.558 2.220 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.571 3.880 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.358 2.501 -3.862 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.317 3.583 -6.472 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.567 4.172 -6.930 1.00 0.00 C ATOM 1118 C ARG A 72 -27.458 4.408 -5.723 1.00 0.00 C ATOM 1119 O ARG A 72 -27.805 3.481 -4.992 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.259 3.303 -7.980 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.651 3.783 -8.350 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.205 3.016 -9.539 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.339 3.125 -10.710 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.710 2.773 -11.937 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -29.928 2.295 -12.155 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -27.862 2.900 -12.949 1.00 0.00 N ATOM 0 H ARG A 72 -25.129 2.643 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.357 5.122 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.643 3.276 -8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.324 2.281 -7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.317 3.664 -7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.620 4.847 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.322 1.966 -9.271 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.197 3.395 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.396 3.492 -10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.584 2.197 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.209 2.026 -13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.925 3.268 -12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.147 2.630 -13.890 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.812 5.678 -5.532 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.586 6.097 -4.381 1.00 0.00 C ATOM 1142 C ASN A 73 -27.707 5.896 -3.162 1.00 0.00 C ATOM 1143 O ASN A 73 -28.117 5.287 -2.176 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.888 5.297 -4.258 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.792 5.475 -5.460 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.543 4.570 -5.826 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -30.727 6.646 -6.082 1.00 0.00 N ATOM 0 H ASN A 73 -27.569 6.436 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.879 7.142 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.651 4.240 -4.138 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.419 5.609 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.314 6.824 -6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.090 7.368 -5.745 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.490 6.436 -3.237 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.552 6.279 -2.150 1.00 0.00 C ATOM 1156 C GLY A 74 -24.218 6.961 -2.409 1.00 0.00 C ATOM 1157 O GLY A 74 -24.003 7.549 -3.470 1.00 0.00 O ATOM 0 H GLY A 74 -26.144 6.976 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.990 6.686 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.382 5.217 -1.975 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.324 6.878 -1.425 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.007 7.501 -1.552 1.00 0.00 C ATOM 1163 C GLN A 75 -20.931 6.721 -0.792 1.00 0.00 C ATOM 1164 O GLN A 75 -20.615 7.032 0.357 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.043 8.957 -1.078 1.00 0.00 C ATOM 1166 CG GLN A 75 -22.693 9.149 0.281 1.00 0.00 C ATOM 1167 CD GLN A 75 -22.630 10.586 0.763 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -23.522 11.053 1.472 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -21.571 11.295 0.387 1.00 0.00 N ATOM 0 H GLN A 75 -23.484 6.392 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.745 7.483 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -21.024 9.341 -1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.581 9.555 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.735 8.833 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -22.201 8.504 1.009 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -20.855 10.869 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -21.474 12.265 0.687 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.388 5.696 -1.448 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.336 4.865 -0.861 1.00 0.00 C ATOM 1180 C VAL A 76 -18.262 5.724 -0.194 1.00 0.00 C ATOM 1181 O VAL A 76 -17.658 6.578 -0.843 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.670 3.979 -1.929 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.567 3.131 -1.311 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.705 3.103 -2.617 1.00 0.00 C ATOM 0 H VAL A 76 -20.661 5.420 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.811 4.233 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.218 4.626 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.109 2.512 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.811 3.782 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.990 2.492 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.216 2.484 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.189 2.463 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.454 3.733 -3.097 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.020 5.497 1.094 1.00 0.00 N ATOM 1195 CA GLU A 77 -17.010 6.266 1.811 1.00 0.00 C ATOM 1196 C GLU A 77 -15.609 5.776 1.451 1.00 0.00 C ATOM 1197 O GLU A 77 -15.037 4.934 2.144 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.229 6.168 3.322 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.203 6.939 4.135 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.411 6.792 5.628 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.186 7.585 6.201 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.796 5.884 6.226 1.00 0.00 O ATOM 0 H GLU A 77 -18.503 4.796 1.656 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.103 7.310 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.225 6.541 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.201 5.119 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.203 6.591 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.252 7.995 3.868 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.068 6.304 0.356 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.736 5.922 -0.097 1.00 0.00 C ATOM 1211 C ILE A 78 -12.746 7.063 0.117 1.00 0.00 C ATOM 1212 O ILE A 78 -13.126 8.235 0.102 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.748 5.505 -1.586 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -12.884 4.262 -1.794 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -13.267 6.642 -2.476 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.388 3.045 -1.050 1.00 0.00 C ATOM 0 H ILE A 78 -15.532 6.996 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.420 5.064 0.496 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.775 5.270 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.840 4.034 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.866 4.479 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -13.286 6.321 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.921 7.504 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.249 6.915 -2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.727 2.200 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.406 3.254 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.395 2.802 -1.389 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.476 6.718 0.316 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.445 7.723 0.550 1.00 0.00 C ATOM 1230 C LYS A 79 -9.054 7.107 0.553 1.00 0.00 C ATOM 1231 O LYS A 79 -8.114 7.662 -0.015 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.687 8.427 1.892 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.711 7.490 3.096 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.938 6.598 3.102 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.181 6.004 4.476 1.00 0.00 C ATOM 1236 NZ LYS A 79 -11.251 4.879 4.771 1.00 0.00 N ATOM 0 H LYS A 79 -11.139 5.755 0.320 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.502 8.445 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.908 9.174 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.636 8.961 1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.814 6.871 3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.687 8.079 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.810 7.174 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.811 5.797 2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.062 6.780 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.210 5.650 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.717 4.202 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.994 4.400 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.392 5.249 5.227 1.00 0.00 H new ATOM 1250 N THR A 80 -8.934 5.958 1.198 1.00 0.00 N ATOM 1251 CA THR A 80 -7.659 5.270 1.312 1.00 0.00 C ATOM 1252 C THR A 80 -7.270 4.551 0.026 1.00 0.00 C ATOM 1253 O THR A 80 -6.411 3.668 0.044 1.00 0.00 O ATOM 1254 CB THR A 80 -7.697 4.257 2.466 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.589 3.182 2.147 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.155 4.938 3.748 1.00 0.00 C ATOM 0 H THR A 80 -9.711 5.479 1.654 1.00 0.00 H new ATOM 0 HA THR A 80 -6.908 6.034 1.511 1.00 0.00 H new ATOM 0 HB THR A 80 -6.693 3.859 2.613 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.606 2.540 2.887 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.178 4.210 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.463 5.741 4.001 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.153 5.352 3.604 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.898 4.925 -1.091 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.587 4.303 -2.377 1.00 0.00 C ATOM 1266 C ASP A 81 -7.848 2.808 -2.345 1.00 0.00 C ATOM 1267 O ASP A 81 -7.489 2.081 -3.273 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.125 4.523 -2.715 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.804 5.975 -3.009 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.581 6.740 -2.047 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.774 6.347 -4.201 1.00 0.00 O ATOM 0 H ASP A 81 -8.617 5.647 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.229 4.762 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.509 4.180 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.861 3.915 -3.580 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.465 2.363 -1.265 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.778 0.957 -1.079 1.00 0.00 C ATOM 1278 C LEU A 82 -7.504 0.144 -0.922 1.00 0.00 C ATOM 1279 O LEU A 82 -7.254 -0.794 -1.678 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.577 0.454 -2.261 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.902 1.165 -2.472 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.770 2.259 -3.517 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.952 0.162 -2.869 1.00 0.00 C ATOM 0 H LEU A 82 -8.762 2.963 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.370 0.844 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.974 0.560 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.767 -0.611 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.203 1.641 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.732 2.753 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.030 2.989 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.453 1.822 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.903 0.672 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.653 -0.331 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.061 -0.582 -2.080 1.00 0.00 H new ATOM 1295 N SER A 83 -6.709 0.504 0.061 1.00 0.00 N ATOM 1296 CA SER A 83 -5.478 -0.222 0.340 1.00 0.00 C ATOM 1297 C SER A 83 -5.776 -1.382 1.287 1.00 0.00 C ATOM 1298 O SER A 83 -6.401 -1.188 2.331 1.00 0.00 O ATOM 1299 CB SER A 83 -4.424 0.708 0.943 1.00 0.00 C ATOM 1300 OG SER A 83 -4.880 1.282 2.156 1.00 0.00 O ATOM 0 H SER A 83 -6.887 1.293 0.683 1.00 0.00 H new ATOM 0 HA SER A 83 -5.079 -0.616 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.505 0.151 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.183 1.498 0.232 1.00 0.00 H new ATOM 0 HG SER A 83 -5.570 0.708 2.550 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.340 -2.586 0.909 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.572 -3.784 1.720 1.00 0.00 C ATOM 1308 C PHE A 84 -5.487 -3.471 3.210 1.00 0.00 C ATOM 1309 O PHE A 84 -4.635 -2.696 3.642 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.561 -4.877 1.358 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.577 -6.052 2.297 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.500 -7.074 2.136 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.667 -6.134 3.340 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.515 -8.155 2.999 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.678 -7.212 4.205 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.603 -8.224 4.034 1.00 0.00 C ATOM 0 H PHE A 84 -4.824 -2.757 0.046 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.579 -4.141 1.504 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.766 -5.229 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.560 -4.445 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.215 -7.026 1.328 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.941 -5.346 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.239 -8.945 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.964 -7.263 5.014 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.613 -9.067 4.708 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.373 -4.081 3.991 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.385 -3.853 5.422 1.00 0.00 C ATOM 1328 C GLY A 85 -7.132 -2.588 5.792 1.00 0.00 C ATOM 1329 O GLY A 85 -6.694 -1.837 6.663 1.00 0.00 O ATOM 0 H GLY A 85 -7.084 -4.731 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.847 -4.705 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.360 -3.788 5.787 1.00 0.00 H new ATOM 1333 N SER A 86 -8.265 -2.348 5.130 1.00 0.00 N ATOM 1334 CA SER A 86 -9.057 -1.155 5.403 1.00 0.00 C ATOM 1335 C SER A 86 -10.557 -1.420 5.304 1.00 0.00 C ATOM 1336 O SER A 86 -11.004 -2.378 4.675 1.00 0.00 O ATOM 1337 CB SER A 86 -8.675 -0.026 4.447 1.00 0.00 C ATOM 1338 OG SER A 86 -8.861 -0.414 3.096 1.00 0.00 O ATOM 0 H SER A 86 -8.649 -2.959 4.409 1.00 0.00 H new ATOM 0 HA SER A 86 -8.836 -0.859 6.429 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.279 0.856 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.634 0.254 4.608 1.00 0.00 H new ATOM 0 HG SER A 86 -7.994 -0.439 2.640 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.313 -0.538 5.944 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.767 -0.631 5.956 1.00 0.00 C ATOM 1346 C GLN A 87 -13.382 0.607 5.304 1.00 0.00 C ATOM 1347 O GLN A 87 -12.945 1.731 5.549 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.281 -0.804 7.392 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.776 -0.570 7.545 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.100 0.842 7.996 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.159 1.095 8.570 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.175 1.763 7.759 1.00 0.00 N ATOM 0 H GLN A 87 -10.940 0.256 6.465 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.067 -1.507 5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.044 -1.812 7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.747 -0.113 8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.270 -0.767 6.594 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.180 -1.280 8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.312 1.507 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.327 2.727 8.056 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.374 0.394 4.445 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.044 1.499 3.765 1.00 0.00 C ATOM 1363 C ILE A 88 -16.550 1.427 3.972 1.00 0.00 C ATOM 1364 O ILE A 88 -17.202 0.457 3.583 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.721 1.520 2.258 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.170 0.221 1.585 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.231 1.740 2.056 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.124 0.274 0.073 1.00 0.00 C ATOM 0 H ILE A 88 -14.731 -0.530 4.203 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.668 2.423 4.205 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.268 2.341 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.536 -0.595 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.187 -0.009 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.007 1.754 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.940 2.692 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.676 0.932 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.456 -0.681 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.780 1.068 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.103 0.473 -0.253 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.095 2.462 4.599 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.522 2.521 4.870 1.00 0.00 C ATOM 1382 C GLU A 89 -19.287 2.982 3.641 1.00 0.00 C ATOM 1383 O GLU A 89 -18.706 3.201 2.579 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.806 3.467 6.037 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.681 3.532 7.053 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.016 4.415 8.239 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.897 5.651 8.112 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.397 3.869 9.296 1.00 0.00 O ATOM 0 H GLU A 89 -16.569 3.271 4.929 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.855 1.517 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.990 4.468 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.720 3.148 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.457 2.525 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.780 3.908 6.568 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.596 3.118 3.792 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.449 3.565 2.704 1.00 0.00 C ATOM 1397 C PHE A 90 -22.473 4.567 3.223 1.00 0.00 C ATOM 1398 O PHE A 90 -22.488 4.884 4.412 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.157 2.375 2.051 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.223 1.287 1.602 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.864 0.264 2.467 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.706 1.284 0.315 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -20.009 -0.739 2.057 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.850 0.281 -0.099 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.502 -0.731 0.771 1.00 0.00 C ATOM 0 H PHE A 90 -21.091 2.924 4.662 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.828 4.050 1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.873 1.957 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.727 2.730 1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.258 0.252 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.975 2.074 -0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.736 -1.530 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.454 0.290 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.834 -1.516 0.448 1.00 0.00 H new ATOM 1415 N SER A 91 -23.330 5.058 2.336 1.00 0.00 N ATOM 1416 CA SER A 91 -24.345 6.025 2.734 1.00 0.00 C ATOM 1417 C SER A 91 -25.484 6.098 1.729 1.00 0.00 C ATOM 1418 O SER A 91 -25.325 6.609 0.625 1.00 0.00 O ATOM 1419 CB SER A 91 -23.736 7.411 2.912 1.00 0.00 C ATOM 1420 OG SER A 91 -22.742 7.413 3.922 1.00 0.00 O ATOM 0 H SER A 91 -23.343 4.806 1.348 1.00 0.00 H new ATOM 0 HA SER A 91 -24.750 5.683 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.300 7.742 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.519 8.124 3.169 1.00 0.00 H new ATOM 0 HG SER A 91 -22.808 6.589 4.448 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.632 5.590 2.142 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.803 5.613 1.274 1.00 0.00 C ATOM 1428 C CYS A 92 -28.494 6.970 1.374 1.00 0.00 C ATOM 1429 O CYS A 92 -28.797 7.447 2.468 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.765 4.479 1.617 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.110 2.815 1.245 1.00 0.00 S ATOM 0 H CYS A 92 -26.781 5.163 3.056 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.478 5.462 0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.012 4.533 2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.694 4.625 1.066 1.00 0.00 H new ATOM 1436 N SER A 93 -28.721 7.587 0.217 1.00 0.00 N ATOM 1437 CA SER A 93 -29.345 8.910 0.137 1.00 0.00 C ATOM 1438 C SER A 93 -30.596 9.055 1.002 1.00 0.00 C ATOM 1439 O SER A 93 -31.061 8.109 1.635 1.00 0.00 O ATOM 1440 CB SER A 93 -29.710 9.235 -1.312 1.00 0.00 C ATOM 1441 OG SER A 93 -28.554 9.509 -2.084 1.00 0.00 O ATOM 0 H SER A 93 -28.479 7.188 -0.690 1.00 0.00 H new ATOM 0 HA SER A 93 -28.603 9.610 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.252 8.397 -1.750 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.379 10.095 -1.337 1.00 0.00 H new ATOM 0 HG SER A 93 -28.817 9.712 -3.006 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.126 10.275 0.989 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.324 10.650 1.736 1.00 0.00 C ATOM 1449 C GLU A 94 -33.404 9.573 1.736 1.00 0.00 C ATOM 1450 O GLU A 94 -33.589 8.875 2.734 1.00 0.00 O ATOM 1451 CB GLU A 94 -32.891 11.951 1.166 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.213 12.361 1.787 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.661 13.743 1.350 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -34.111 14.737 1.870 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.560 13.831 0.489 1.00 0.00 O ATOM 0 H GLU A 94 -30.729 11.044 0.450 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.020 10.782 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.165 12.750 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.024 11.839 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -34.978 11.633 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.122 12.339 2.873 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.122 9.445 0.629 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.217 8.490 0.547 1.00 0.00 C ATOM 1464 C GLY A 95 -34.790 7.037 0.588 1.00 0.00 C ATOM 1465 O GLY A 95 -35.509 6.176 0.087 1.00 0.00 O ATOM 0 H GLY A 95 -33.967 9.988 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.907 8.676 1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.768 8.667 -0.376 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.646 6.746 1.193 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.172 5.363 1.294 1.00 0.00 C ATOM 1471 C PHE A 96 -32.247 5.182 2.494 1.00 0.00 C ATOM 1472 O PHE A 96 -31.732 6.150 3.052 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.416 4.952 0.020 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.112 5.320 -1.261 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.095 4.503 -1.789 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.785 6.489 -1.931 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.744 4.842 -2.960 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.430 6.833 -3.104 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.411 6.009 -3.620 1.00 0.00 C ATOM 0 H PHE A 96 -33.030 7.439 1.619 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.051 4.730 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.431 5.418 0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.259 3.873 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.359 3.588 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.019 7.137 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.511 4.195 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.167 7.746 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 96 -34.916 6.276 -4.536 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.054 3.927 2.889 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.176 3.596 4.004 1.00 0.00 C ATOM 1491 C PHE A 97 -30.214 2.491 3.595 1.00 0.00 C ATOM 1492 O PHE A 97 -30.386 1.842 2.563 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.982 3.198 5.246 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.781 1.934 5.098 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.926 1.909 4.319 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.396 0.777 5.756 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.673 0.753 4.197 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.138 -0.383 5.636 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.279 -0.394 4.856 1.00 0.00 C ATOM 0 H PHE A 97 -32.497 3.120 2.450 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.597 4.482 4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.296 3.082 6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.660 4.013 5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.239 2.804 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.507 0.782 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.564 0.747 3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.827 -1.280 6.151 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.861 -1.299 4.762 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.214 2.278 4.439 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.179 1.289 4.172 1.00 0.00 C ATOM 1511 C LEU A 98 -28.597 -0.102 4.637 1.00 0.00 C ATOM 1512 O LEU A 98 -29.174 -0.263 5.713 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.881 1.715 4.870 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.603 1.027 4.380 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.546 -0.414 4.862 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.503 1.096 2.864 1.00 0.00 C ATOM 0 H LEU A 98 -29.097 2.780 5.319 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.021 1.238 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.761 2.791 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.986 1.526 5.938 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.748 1.557 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.630 -0.882 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.560 -0.434 5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.408 -0.960 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.588 0.602 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.364 0.597 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.485 2.139 2.548 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.296 -1.104 3.812 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.603 -2.502 4.108 1.00 0.00 C ATOM 1530 C ILE A 99 -27.715 -3.412 3.278 1.00 0.00 C ATOM 1531 O ILE A 99 -27.580 -3.246 2.069 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.059 -2.868 3.766 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.885 -1.619 3.490 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.673 -3.687 4.887 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.162 -1.891 2.726 1.00 0.00 C ATOM 0 H ILE A 99 -27.830 -0.968 2.915 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.437 -2.634 5.177 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.057 -3.472 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.134 -1.142 4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.279 -0.910 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.702 -3.939 4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.099 -4.603 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.659 -3.108 5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.697 -0.955 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.921 -2.340 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.789 -2.575 3.298 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.121 -4.387 3.954 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.225 -5.318 3.299 1.00 0.00 C ATOM 1549 C GLY A 100 -24.969 -5.541 4.111 1.00 0.00 C ATOM 1550 O GLY A 100 -24.653 -6.662 4.507 1.00 0.00 O ATOM 0 H GLY A 100 -27.246 -4.550 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.735 -6.269 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.959 -4.937 2.313 1.00 0.00 H new ATOM 1554 N SER A 101 -24.271 -4.444 4.354 1.00 0.00 N ATOM 1555 CA SER A 101 -23.030 -4.431 5.115 1.00 0.00 C ATOM 1556 C SER A 101 -22.432 -3.042 5.008 1.00 0.00 C ATOM 1557 O SER A 101 -21.752 -2.727 4.031 1.00 0.00 O ATOM 1558 CB SER A 101 -22.043 -5.475 4.583 1.00 0.00 C ATOM 1559 OG SER A 101 -20.853 -5.491 5.352 1.00 0.00 O ATOM 0 H SER A 101 -24.554 -3.522 4.023 1.00 0.00 H new ATOM 0 HA SER A 101 -23.236 -4.681 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.506 -6.461 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.804 -5.257 3.542 1.00 0.00 H new ATOM 0 HG SER A 101 -20.212 -4.851 4.977 1.00 0.00 H new ATOM 1565 N THR A 102 -22.687 -2.202 6.005 1.00 0.00 N ATOM 1566 CA THR A 102 -22.207 -0.833 5.974 1.00 0.00 C ATOM 1567 C THR A 102 -20.694 -0.770 5.984 1.00 0.00 C ATOM 1568 O THR A 102 -20.112 0.301 5.837 1.00 0.00 O ATOM 1569 CB THR A 102 -22.764 -0.009 7.144 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.143 1.283 7.179 1.00 0.00 O ATOM 1571 CG2 THR A 102 -22.524 -0.731 8.450 1.00 0.00 C ATOM 0 H THR A 102 -23.221 -2.447 6.839 1.00 0.00 H new ATOM 0 HA THR A 102 -22.568 -0.401 5.041 1.00 0.00 H new ATOM 0 HB THR A 102 -23.837 0.118 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.433 1.323 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 102 -22.923 -0.137 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.022 -1.700 8.427 1.00 0.00 H new ATOM 0 HG23 THR A 102 -21.453 -0.877 8.594 1.00 0.00 H new ATOM 1579 N THR A 103 -20.056 -1.913 6.163 1.00 0.00 N ATOM 1580 CA THR A 103 -18.613 -1.973 6.168 1.00 0.00 C ATOM 1581 C THR A 103 -18.128 -2.849 5.028 1.00 0.00 C ATOM 1582 O THR A 103 -18.838 -3.750 4.581 1.00 0.00 O ATOM 1583 CB THR A 103 -18.085 -2.510 7.501 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.537 -3.852 7.711 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.540 -1.627 8.652 1.00 0.00 C ATOM 0 H THR A 103 -20.519 -2.811 6.307 1.00 0.00 H new ATOM 0 HA THR A 103 -18.231 -0.961 6.036 1.00 0.00 H new ATOM 0 HB THR A 103 -16.996 -2.503 7.463 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.191 -4.184 8.566 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.155 -2.025 9.591 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.163 -0.615 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.629 -1.607 8.687 1.00 0.00 H new ATOM 1593 N SER A 104 -16.917 -2.587 4.560 1.00 0.00 N ATOM 1594 CA SER A 104 -16.319 -3.374 3.499 1.00 0.00 C ATOM 1595 C SER A 104 -14.813 -3.433 3.719 1.00 0.00 C ATOM 1596 O SER A 104 -14.124 -2.417 3.640 1.00 0.00 O ATOM 1597 CB SER A 104 -16.647 -2.783 2.126 1.00 0.00 C ATOM 1598 OG SER A 104 -17.985 -3.064 1.759 1.00 0.00 O ATOM 0 H SER A 104 -16.327 -1.829 4.903 1.00 0.00 H new ATOM 0 HA SER A 104 -16.730 -4.383 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.490 -1.705 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.968 -3.192 1.378 1.00 0.00 H new ATOM 0 HG SER A 104 -18.529 -2.256 1.863 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.311 -4.629 3.994 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.891 -4.832 4.261 1.00 0.00 C ATOM 1606 C ARG A 105 -12.132 -5.235 3.005 1.00 0.00 C ATOM 1607 O ARG A 105 -12.641 -5.975 2.165 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.706 -5.901 5.339 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.437 -5.590 6.634 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.189 -6.662 7.683 1.00 0.00 C ATOM 1611 NE ARG A 105 -13.650 -7.975 7.245 1.00 0.00 N ATOM 1612 CZ ARG A 105 -13.956 -8.965 8.078 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.853 -8.792 9.388 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.368 -10.132 7.599 1.00 0.00 N ATOM 0 H ARG A 105 -14.870 -5.481 4.039 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.484 -3.883 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.057 -6.858 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.642 -6.013 5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.109 -4.623 7.015 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.507 -5.510 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.124 -6.709 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.698 -6.389 8.607 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.743 -8.143 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.538 -7.896 9.761 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.089 -9.554 10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.450 -10.270 6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.603 -10.891 8.238 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.897 -4.756 2.904 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.048 -5.057 1.763 1.00 0.00 C ATOM 1630 C CYS A 106 -9.234 -6.304 2.054 1.00 0.00 C ATOM 1631 O CYS A 106 -8.362 -6.298 2.922 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.123 -3.877 1.463 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.536 -2.977 -0.063 1.00 0.00 S ATOM 0 H CYS A 106 -10.462 -4.155 3.604 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.673 -5.233 0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.155 -3.182 2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.098 -4.242 1.391 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.526 -7.375 1.331 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.858 -8.640 1.552 1.00 0.00 C ATOM 1640 C GLU A 107 -7.993 -9.016 0.357 1.00 0.00 C ATOM 1641 O GLU A 107 -8.101 -8.419 -0.710 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.907 -9.717 1.822 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.330 -11.038 2.304 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.398 -12.090 2.539 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -10.941 -12.143 3.662 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -10.691 -12.858 1.599 1.00 0.00 O ATOM 0 H GLU A 107 -10.223 -7.389 0.586 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.199 -8.551 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.610 -9.346 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.475 -9.893 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.616 -11.408 1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.778 -10.873 3.229 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.139 -10.009 0.553 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.248 -10.454 -0.509 1.00 0.00 C ATOM 1655 C VAL A 108 -6.204 -11.970 -0.646 1.00 0.00 C ATOM 1656 O VAL A 108 -6.011 -12.701 0.325 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.820 -9.911 -0.302 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.787 -10.784 -1.003 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.724 -8.478 -0.798 1.00 0.00 C ATOM 0 H VAL A 108 -7.044 -10.519 1.431 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.658 -10.050 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.605 -9.932 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.791 -10.373 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.834 -11.796 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.996 -10.808 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.710 -8.107 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.967 -8.443 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.426 -7.854 -0.245 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.391 -12.416 -1.881 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.369 -13.834 -2.203 1.00 0.00 C ATOM 1671 C GLN A 109 -5.458 -14.099 -3.398 1.00 0.00 C ATOM 1672 O GLN A 109 -5.506 -13.385 -4.399 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.790 -14.326 -2.493 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.541 -13.467 -3.499 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.989 -13.890 -3.666 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.303 -14.753 -4.484 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.882 -13.277 -2.894 1.00 0.00 N ATOM 0 H GLN A 109 -6.561 -11.808 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.975 -14.381 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.742 -15.349 -2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.353 -14.353 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.506 -12.426 -3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.037 -13.521 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.578 -12.566 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.870 -13.518 -2.968 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.625 -15.129 -3.276 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.692 -15.499 -4.334 1.00 0.00 C ATOM 1688 C ASP A 110 -2.681 -14.385 -4.598 1.00 0.00 C ATOM 1689 O ASP A 110 -1.658 -14.291 -3.919 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.454 -15.847 -5.611 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.252 -17.129 -5.479 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -6.429 -17.056 -5.069 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.700 -18.206 -5.788 1.00 0.00 O ATOM 0 H ASP A 110 -4.578 -15.725 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.137 -16.377 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -5.127 -15.028 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.748 -15.945 -6.436 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.974 -13.546 -5.584 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.093 -12.446 -5.938 1.00 0.00 C ATOM 1700 C ARG A 111 -2.810 -11.426 -6.821 1.00 0.00 C ATOM 1701 O ARG A 111 -2.812 -11.532 -8.047 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.845 -12.981 -6.637 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.144 -13.824 -7.867 1.00 0.00 C ATOM 1704 CD ARG A 111 0.131 -14.307 -8.539 1.00 0.00 C ATOM 1705 NE ARG A 111 -0.146 -15.139 -9.708 1.00 0.00 N ATOM 1706 CZ ARG A 111 0.798 -15.642 -10.497 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.077 -15.397 -10.246 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.464 -16.392 -11.539 1.00 0.00 N ATOM 0 H ARG A 111 -3.818 -13.609 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.794 -11.937 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.215 -12.141 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -0.271 -13.579 -5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.753 -14.682 -7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.730 -13.239 -8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.730 -13.447 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.725 -14.875 -7.823 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.120 -15.346 -9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.338 -14.821 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.799 -15.784 -10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.518 -16.583 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.190 -16.777 -12.144 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.426 -10.444 -6.178 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.140 -9.408 -6.901 1.00 0.00 C ATOM 1724 C GLY A 112 -5.255 -8.810 -6.077 1.00 0.00 C ATOM 1725 O GLY A 112 -6.110 -8.090 -6.596 1.00 0.00 O ATOM 0 H GLY A 112 -3.444 -10.345 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.443 -8.622 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.552 -9.825 -7.820 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.234 -9.110 -4.784 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.235 -8.617 -3.846 1.00 0.00 C ATOM 1731 C VAL A 113 -7.617 -9.155 -4.196 1.00 0.00 C ATOM 1732 O VAL A 113 -7.990 -9.240 -5.367 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.259 -7.083 -3.798 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.893 -6.588 -2.512 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -4.847 -6.534 -3.950 1.00 0.00 C ATOM 0 H VAL A 113 -4.522 -9.702 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.958 -8.979 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.867 -6.721 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.897 -5.498 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.917 -6.955 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.321 -6.955 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.874 -5.445 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.222 -6.908 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.432 -6.856 -4.905 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.370 -9.513 -3.171 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.676 -10.082 -3.450 1.00 0.00 C ATOM 1747 C GLY A 114 -10.825 -9.569 -2.605 1.00 0.00 C ATOM 1748 O GLY A 114 -11.125 -10.166 -1.571 1.00 0.00 O ATOM 0 H GLY A 114 -8.118 -9.427 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.913 -9.898 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.613 -11.163 -3.322 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.471 -8.473 -3.007 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.619 -7.919 -2.282 1.00 0.00 C ATOM 1754 C TRP A 115 -13.524 -9.016 -1.733 1.00 0.00 C ATOM 1755 O TRP A 115 -13.610 -10.108 -2.296 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.446 -7.006 -3.195 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.202 -5.542 -2.985 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.727 -4.652 -3.904 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.432 -4.794 -1.785 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.648 -3.397 -3.351 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.072 -3.459 -2.050 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.904 -5.122 -0.512 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.173 -2.455 -1.091 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -14.003 -4.123 0.439 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.639 -2.805 0.145 1.00 0.00 C ATOM 0 H TRP A 115 -11.215 -7.945 -3.841 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.218 -7.345 -1.447 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.226 -7.254 -4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.504 -7.213 -3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.453 -4.899 -4.919 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.326 -2.556 -3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -14.186 -6.137 -0.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.893 -1.436 -1.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -14.368 -4.365 1.426 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.728 -2.048 0.910 1.00 0.00 H new ATOM 1776 N SER A 116 -14.203 -8.710 -0.634 1.00 0.00 N ATOM 1777 CA SER A 116 -15.112 -9.659 -0.008 1.00 0.00 C ATOM 1778 C SER A 116 -16.562 -9.318 -0.346 1.00 0.00 C ATOM 1779 O SER A 116 -17.391 -10.207 -0.540 1.00 0.00 O ATOM 1780 CB SER A 116 -14.917 -9.659 1.510 1.00 0.00 C ATOM 1781 OG SER A 116 -13.573 -9.950 1.853 1.00 0.00 O ATOM 0 H SER A 116 -14.140 -7.810 -0.158 1.00 0.00 H new ATOM 0 HA SER A 116 -14.888 -10.653 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.196 -8.687 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.579 -10.396 1.965 1.00 0.00 H new ATOM 0 HG SER A 116 -13.475 -9.942 2.828 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.858 -8.020 -0.417 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.206 -7.551 -0.730 1.00 0.00 C ATOM 1789 C HIS A 117 -18.186 -6.078 -1.143 1.00 0.00 C ATOM 1790 O HIS A 117 -17.558 -5.251 -0.480 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.125 -7.742 0.479 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.576 -7.522 0.178 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.440 -8.547 -0.148 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.315 -6.388 0.156 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.648 -8.051 -0.359 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.597 -6.744 -0.180 1.00 0.00 N ATOM 0 H HIS A 117 -16.180 -7.274 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.587 -8.139 -1.565 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.993 -8.752 0.867 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.819 -7.055 1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.961 -5.389 0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.526 -8.618 -0.631 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.384 -6.102 -0.276 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.877 -5.729 -2.246 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.939 -4.367 -2.749 1.00 0.00 C ATOM 1807 C PRO A 118 -20.160 -3.607 -2.235 1.00 0.00 C ATOM 1808 O PRO A 118 -20.587 -3.797 -1.098 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.031 -4.586 -4.258 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.716 -5.910 -4.428 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.655 -6.633 -3.099 1.00 0.00 C ATOM 0 HA PRO A 118 -18.090 -3.761 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.597 -3.787 -4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.041 -4.594 -4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.751 -5.768 -4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.227 -6.497 -5.206 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.651 -6.808 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.174 -7.606 -3.195 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.705 -2.736 -3.082 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.871 -1.940 -2.735 1.00 0.00 C ATOM 1821 C LEU A 119 -22.953 -2.781 -2.060 1.00 0.00 C ATOM 1822 O LEU A 119 -23.180 -3.934 -2.433 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.452 -1.287 -3.991 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.437 -0.761 -5.011 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.279 -0.070 -4.310 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.942 -1.882 -5.915 1.00 0.00 C ATOM 0 H LEU A 119 -20.350 -2.566 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.545 -1.175 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.093 -2.014 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.089 -0.458 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.937 -0.024 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.570 0.296 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.656 0.768 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.779 -0.778 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.223 -1.482 -6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.463 -2.652 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.785 -2.315 -6.453 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.634 -2.207 -1.052 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.705 -2.878 -0.322 1.00 0.00 C ATOM 1840 C PRO A 120 -26.038 -2.763 -1.059 1.00 0.00 C ATOM 1841 O PRO A 120 -26.112 -3.014 -2.261 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.754 -2.121 1.019 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.714 -1.046 0.933 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.412 -0.862 -0.525 1.00 0.00 C ATOM 0 HA PRO A 120 -24.527 -3.947 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.742 -1.693 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.551 -2.793 1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.078 -0.118 1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.816 -1.330 1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -24.071 -0.128 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.390 -0.522 -0.690 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.091 -2.384 -0.336 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.409 -2.241 -0.942 1.00 0.00 C ATOM 1854 C GLN A 121 -29.133 -1.013 -0.401 1.00 0.00 C ATOM 1855 O GLN A 121 -29.465 -0.953 0.784 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.249 -3.491 -0.672 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.173 -3.869 -1.819 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.233 -2.818 -2.093 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -31.651 -2.627 -3.235 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -31.679 -2.139 -1.044 1.00 0.00 N ATOM 0 H GLN A 121 -27.056 -2.173 0.661 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.273 -2.117 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.582 -4.328 -0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.846 -3.329 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -29.580 -4.024 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.659 -4.817 -1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -31.304 -2.331 -0.115 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -32.397 -1.425 -1.166 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.377 -0.032 -1.267 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.086 1.173 -0.850 1.00 0.00 C ATOM 1871 C CYS A 122 -31.552 1.076 -1.259 1.00 0.00 C ATOM 1872 O CYS A 122 -31.887 1.183 -2.438 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.445 2.425 -1.456 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.811 2.843 -0.763 1.00 0.00 S ATOM 0 H CYS A 122 -29.098 -0.047 -2.248 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.021 1.255 0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.345 2.283 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.117 3.271 -1.308 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.420 0.868 -0.273 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.853 0.740 -0.516 1.00 0.00 C ATOM 1881 C GLU A 123 -34.610 1.808 0.262 1.00 0.00 C ATOM 1882 O GLU A 123 -34.249 2.161 1.385 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.339 -0.651 -0.101 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.833 -0.857 -0.289 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.285 -2.249 0.106 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.378 -2.520 1.322 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.547 -3.067 -0.800 1.00 0.00 O ATOM 0 H GLU A 123 -32.153 0.784 0.708 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.041 0.874 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.802 -1.402 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.087 -0.817 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.375 -0.121 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.092 -0.678 -1.332 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.664 2.316 -0.365 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.482 3.366 0.226 1.00 0.00 C ATOM 1896 C ILE A 124 -37.047 2.948 1.580 1.00 0.00 C ATOM 1897 O ILE A 124 -37.309 1.768 1.821 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.641 3.758 -0.713 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.241 5.098 -0.284 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.707 2.671 -0.728 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.274 5.639 -1.246 1.00 0.00 C ATOM 0 H ILE A 124 -35.973 2.015 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.831 4.227 0.374 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.249 3.864 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.698 4.983 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.438 5.828 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.517 2.965 -1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.269 1.736 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.100 2.532 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.654 6.591 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.817 5.787 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.097 4.929 -1.333 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.228 3.927 2.462 1.00 0.00 N ATOM 1914 CA LEU A 125 -37.767 3.672 3.794 1.00 0.00 C ATOM 1915 C LEU A 125 -39.236 3.271 3.712 1.00 0.00 C ATOM 1916 O LEU A 125 -39.766 3.030 2.627 1.00 0.00 O ATOM 1917 CB LEU A 125 -37.618 4.918 4.672 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.175 5.332 4.979 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.138 6.738 5.559 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -35.531 4.344 5.940 1.00 0.00 C ATOM 0 H LEU A 125 -37.009 4.906 2.278 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.205 2.851 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.121 5.751 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.137 4.743 5.614 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.609 5.327 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.106 7.017 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.563 7.439 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -36.719 6.767 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.507 4.653 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.098 4.319 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.527 3.351 5.492 1.00 0.00 H new