USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 735 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 SER OG : rot 23:sc= 0.189 USER MOD Set 2.1: A 54 HIS : no HE2:sc= 0.205 K(o=-0.75,f=-2.2) USER MOD Set 2.2: A 59 THR OG1 : rot 69:sc= 0.103 USER MOD Set 2.3: A 64 SER OG : rot -87:sc= 0.153 USER MOD Set 2.4: A 65 ASN :FLIP amide:sc= -1.21 F(o=-1.5,f=-0.75) USER MOD Set 3.1: A 36 MET CE :methyl 158:sc= -0.106 (180deg=-0.984) USER MOD Set 3.2: A 91 GLN : amide:sc= -2.82! C(o=-2.9!,f=-9.3!) USER MOD Single : A 26 ASN : amide:sc= 1.38 K(o=1.4,f=-8!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.13) USER MOD Single : A 34 THR OG1 : rot 64:sc= 1.12 USER MOD Single : A 38 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.21) USER MOD Single : A 39 THR OG1 : rot 69:sc= 0.171 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 69 SER OG : rot 39:sc= 0.0672 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0302 USER MOD Single : A 72 THR OG1 : rot 37:sc= 0.0626 USER MOD Single : A 73 THR OG1 : rot -176:sc= -1.28 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 175:sc= 0.125 USER MOD Single : A 79 MET CE :methyl 142:sc= -0.0325 (180deg=-1.36) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 1.96 (180deg=1.52) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 93 SER OG : rot -31:sc= 0.396 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 101 MET CE :methyl -120:sc= -0.337 (180deg=-3.08) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0.0108 X(o=0.011,f=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 128 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -16.536 -10.611 -5.071 1.00 0.00 N ATOM 36 CA ASN A 26 -16.285 -9.298 -4.496 1.00 0.00 C ATOM 37 C ASN A 26 -15.841 -8.343 -5.587 1.00 0.00 C ATOM 38 O ASN A 26 -15.011 -7.473 -5.356 1.00 0.00 O ATOM 39 CB ASN A 26 -15.206 -9.369 -3.408 1.00 0.00 C ATOM 40 CG ASN A 26 -15.756 -9.728 -2.040 1.00 0.00 C ATOM 41 OD1 ASN A 26 -16.115 -8.850 -1.258 1.00 0.00 O ATOM 42 ND2 ASN A 26 -15.823 -11.014 -1.740 1.00 0.00 N ATOM 0 HA ASN A 26 -17.209 -8.940 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.457 -10.107 -3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -14.698 -8.407 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.183 -11.308 -0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.515 -11.712 -2.417 1.00 0.00 H new ATOM 49 N TYR A 27 -16.413 -8.507 -6.774 1.00 0.00 N ATOM 50 CA TYR A 27 -15.962 -7.779 -7.956 1.00 0.00 C ATOM 51 C TYR A 27 -16.286 -6.295 -7.859 1.00 0.00 C ATOM 52 O TYR A 27 -15.461 -5.448 -8.210 1.00 0.00 O ATOM 53 CB TYR A 27 -16.589 -8.372 -9.221 1.00 0.00 C ATOM 54 CG TYR A 27 -16.242 -9.828 -9.442 1.00 0.00 C ATOM 55 CD1 TYR A 27 -15.073 -10.190 -10.102 1.00 0.00 C ATOM 56 CD2 TYR A 27 -17.078 -10.841 -8.988 1.00 0.00 C ATOM 57 CE1 TYR A 27 -14.751 -11.518 -10.303 1.00 0.00 C ATOM 58 CE2 TYR A 27 -16.762 -12.172 -9.186 1.00 0.00 C ATOM 59 CZ TYR A 27 -15.596 -12.503 -9.842 1.00 0.00 C ATOM 60 OH TYR A 27 -15.276 -13.829 -10.042 1.00 0.00 O ATOM 0 H TYR A 27 -17.194 -9.141 -6.945 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.878 -7.883 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -17.673 -8.270 -9.162 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -16.261 -7.794 -10.085 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.406 -9.421 -10.463 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.991 -10.584 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.840 -11.783 -10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.424 -12.947 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.975 -14.396 -9.655 1.00 0.00 H new ATOM 70 N LEU A 28 -17.477 -5.978 -7.369 1.00 0.00 N ATOM 71 CA LEU A 28 -17.905 -4.588 -7.266 1.00 0.00 C ATOM 72 C LEU A 28 -17.098 -3.865 -6.195 1.00 0.00 C ATOM 73 O LEU A 28 -16.617 -2.752 -6.409 1.00 0.00 O ATOM 74 CB LEU A 28 -19.403 -4.503 -6.958 1.00 0.00 C ATOM 75 CG LEU A 28 -20.326 -5.078 -8.038 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.782 -4.931 -7.626 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.080 -4.397 -9.377 1.00 0.00 C ATOM 0 H LEU A 28 -18.161 -6.659 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.727 -4.101 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.595 -5.027 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.666 -3.457 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.102 -6.139 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.424 -5.344 -8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.952 -5.467 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -22.016 -3.876 -7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -20.746 -4.821 -10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.273 -3.328 -9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.045 -4.553 -9.680 1.00 0.00 H new ATOM 89 N ARG A 29 -16.929 -4.517 -5.054 1.00 0.00 N ATOM 90 CA ARG A 29 -16.116 -3.970 -3.982 1.00 0.00 C ATOM 91 C ARG A 29 -14.653 -3.896 -4.412 1.00 0.00 C ATOM 92 O ARG A 29 -13.926 -2.981 -4.029 1.00 0.00 O ATOM 93 CB ARG A 29 -16.279 -4.811 -2.709 1.00 0.00 C ATOM 94 CG ARG A 29 -15.225 -4.545 -1.645 1.00 0.00 C ATOM 95 CD ARG A 29 -15.735 -4.881 -0.249 1.00 0.00 C ATOM 96 NE ARG A 29 -16.321 -6.220 -0.168 1.00 0.00 N ATOM 97 CZ ARG A 29 -17.350 -6.535 0.621 1.00 0.00 C ATOM 98 NH1 ARG A 29 -17.908 -5.615 1.400 1.00 0.00 N ATOM 99 NH2 ARG A 29 -17.819 -7.777 0.633 1.00 0.00 N ATOM 0 H ARG A 29 -17.345 -5.425 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.454 -2.957 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -17.264 -4.619 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -16.248 -5.867 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.335 -5.136 -1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.928 -3.497 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.912 -4.806 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.481 -4.144 0.048 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.919 -6.956 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.550 -4.660 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.694 -5.864 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.393 -8.489 0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.605 -8.019 1.236 1.00 0.00 H new ATOM 113 N LYS A 30 -14.235 -4.850 -5.233 1.00 0.00 N ATOM 114 CA LYS A 30 -12.870 -4.884 -5.731 1.00 0.00 C ATOM 115 C LYS A 30 -12.599 -3.691 -6.639 1.00 0.00 C ATOM 116 O LYS A 30 -11.542 -3.065 -6.547 1.00 0.00 O ATOM 117 CB LYS A 30 -12.591 -6.194 -6.471 1.00 0.00 C ATOM 118 CG LYS A 30 -11.119 -6.424 -6.762 1.00 0.00 C ATOM 119 CD LYS A 30 -10.871 -7.805 -7.339 1.00 0.00 C ATOM 120 CE LYS A 30 -9.387 -8.060 -7.534 1.00 0.00 C ATOM 121 NZ LYS A 30 -9.119 -9.398 -8.116 1.00 0.00 N ATOM 0 H LYS A 30 -14.825 -5.612 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.198 -4.826 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.970 -7.025 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.144 -6.196 -7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.764 -5.668 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.543 -6.304 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.288 -8.561 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.388 -7.901 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.971 -7.292 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.876 -7.974 -6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.139 -9.676 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.771 -10.094 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.259 -9.363 -9.146 1.00 0.00 H new ATOM 135 N ALA A 31 -13.545 -3.362 -7.517 1.00 0.00 N ATOM 136 CA ALA A 31 -13.410 -2.188 -8.367 1.00 0.00 C ATOM 137 C ALA A 31 -13.462 -0.909 -7.546 1.00 0.00 C ATOM 138 O ALA A 31 -12.821 0.081 -7.888 1.00 0.00 O ATOM 139 CB ALA A 31 -14.498 -2.176 -9.429 1.00 0.00 C ATOM 0 H ALA A 31 -14.407 -3.890 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.438 -2.237 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.384 -1.292 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.415 -3.072 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.476 -2.155 -8.948 1.00 0.00 H new ATOM 145 N ALA A 32 -14.223 -0.937 -6.459 1.00 0.00 N ATOM 146 CA ALA A 32 -14.274 0.192 -5.543 1.00 0.00 C ATOM 147 C ALA A 32 -12.898 0.422 -4.937 1.00 0.00 C ATOM 148 O ALA A 32 -12.421 1.556 -4.848 1.00 0.00 O ATOM 149 CB ALA A 32 -15.303 -0.048 -4.452 1.00 0.00 C ATOM 0 H ALA A 32 -14.811 -1.727 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.572 1.082 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.325 0.808 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -16.287 -0.181 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.037 -0.944 -3.892 1.00 0.00 H new ATOM 155 N LEU A 33 -12.256 -0.672 -4.547 1.00 0.00 N ATOM 156 CA LEU A 33 -10.895 -0.626 -4.034 1.00 0.00 C ATOM 157 C LEU A 33 -9.950 -0.136 -5.122 1.00 0.00 C ATOM 158 O LEU A 33 -8.969 0.552 -4.849 1.00 0.00 O ATOM 159 CB LEU A 33 -10.452 -2.014 -3.552 1.00 0.00 C ATOM 160 CG LEU A 33 -11.327 -2.646 -2.462 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.812 -4.030 -2.097 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.383 -1.754 -1.232 1.00 0.00 C ATOM 0 H LEU A 33 -12.661 -1.608 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.866 0.063 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.428 -2.686 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.431 -1.940 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.339 -2.749 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.446 -4.462 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.831 -4.670 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.790 -3.952 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.009 -2.221 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.376 -1.614 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.804 -0.786 -1.503 1.00 0.00 H new ATOM 174 N THR A 34 -10.268 -0.489 -6.361 1.00 0.00 N ATOM 175 CA THR A 34 -9.471 -0.077 -7.504 1.00 0.00 C ATOM 176 C THR A 34 -9.589 1.429 -7.722 1.00 0.00 C ATOM 177 O THR A 34 -8.605 2.097 -8.033 1.00 0.00 O ATOM 178 CB THR A 34 -9.898 -0.829 -8.782 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.801 -2.245 -8.565 1.00 0.00 O ATOM 180 CG2 THR A 34 -9.025 -0.436 -9.965 1.00 0.00 C ATOM 0 H THR A 34 -11.077 -1.063 -6.598 1.00 0.00 H new ATOM 0 HA THR A 34 -8.431 -0.326 -7.292 1.00 0.00 H new ATOM 0 HB THR A 34 -10.929 -0.559 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.431 -2.512 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.348 -0.981 -10.852 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.116 0.635 -10.144 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.985 -0.681 -9.747 1.00 0.00 H new ATOM 188 N ASP A 35 -10.789 1.963 -7.524 1.00 0.00 N ATOM 189 CA ASP A 35 -11.019 3.396 -7.670 1.00 0.00 C ATOM 190 C ASP A 35 -10.308 4.149 -6.558 1.00 0.00 C ATOM 191 O ASP A 35 -9.707 5.201 -6.785 1.00 0.00 O ATOM 192 CB ASP A 35 -12.513 3.718 -7.652 1.00 0.00 C ATOM 193 CG ASP A 35 -12.780 5.208 -7.746 1.00 0.00 C ATOM 194 OD1 ASP A 35 -13.040 5.837 -6.702 1.00 0.00 O ATOM 195 OD2 ASP A 35 -12.726 5.760 -8.868 1.00 0.00 O ATOM 0 H ASP A 35 -11.616 1.427 -7.262 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.617 3.711 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.002 3.210 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.956 3.329 -6.735 1.00 0.00 H new ATOM 200 N MET A 36 -10.373 3.589 -5.353 1.00 0.00 N ATOM 201 CA MET A 36 -9.651 4.142 -4.214 1.00 0.00 C ATOM 202 C MET A 36 -8.156 4.121 -4.500 1.00 0.00 C ATOM 203 O MET A 36 -7.443 5.079 -4.211 1.00 0.00 O ATOM 204 CB MET A 36 -9.962 3.350 -2.936 1.00 0.00 C ATOM 205 CG MET A 36 -9.207 3.849 -1.714 1.00 0.00 C ATOM 206 SD MET A 36 -9.550 5.580 -1.340 1.00 0.00 S ATOM 207 CE MET A 36 -11.315 5.522 -1.047 1.00 0.00 C ATOM 0 H MET A 36 -10.918 2.753 -5.142 1.00 0.00 H new ATOM 0 HA MET A 36 -9.973 5.172 -4.059 1.00 0.00 H new ATOM 0 HB2 MET A 36 -11.033 3.401 -2.738 1.00 0.00 H new ATOM 0 HB3 MET A 36 -9.718 2.300 -3.100 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.473 3.236 -0.853 1.00 0.00 H new ATOM 0 HG3 MET A 36 -8.137 3.722 -1.877 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.612 6.379 -0.443 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.843 5.549 -2.000 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.566 4.602 -0.519 1.00 0.00 H new ATOM 217 N LEU A 37 -7.697 3.027 -5.093 1.00 0.00 N ATOM 218 CA LEU A 37 -6.314 2.904 -5.526 1.00 0.00 C ATOM 219 C LEU A 37 -5.968 3.989 -6.543 1.00 0.00 C ATOM 220 O LEU A 37 -4.890 4.573 -6.492 1.00 0.00 O ATOM 221 CB LEU A 37 -6.079 1.524 -6.139 1.00 0.00 C ATOM 222 CG LEU A 37 -4.672 1.276 -6.689 1.00 0.00 C ATOM 223 CD1 LEU A 37 -3.659 1.184 -5.559 1.00 0.00 C ATOM 224 CD2 LEU A 37 -4.650 0.013 -7.533 1.00 0.00 C ATOM 0 H LEU A 37 -8.270 2.205 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.669 3.026 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.292 0.769 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.796 1.378 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.396 2.120 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.666 1.008 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.656 2.117 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.927 0.361 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.643 -0.150 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.948 -0.839 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.344 0.121 -8.367 1.00 0.00 H new ATOM 236 N GLN A 38 -6.894 4.259 -7.458 1.00 0.00 N ATOM 237 CA GLN A 38 -6.686 5.282 -8.478 1.00 0.00 C ATOM 238 C GLN A 38 -6.571 6.665 -7.848 1.00 0.00 C ATOM 239 O GLN A 38 -5.832 7.514 -8.337 1.00 0.00 O ATOM 240 CB GLN A 38 -7.820 5.266 -9.508 1.00 0.00 C ATOM 241 CG GLN A 38 -7.868 4.004 -10.357 1.00 0.00 C ATOM 242 CD GLN A 38 -6.569 3.742 -11.097 1.00 0.00 C ATOM 243 OE1 GLN A 38 -6.372 4.214 -12.218 1.00 0.00 O ATOM 244 NE2 GLN A 38 -5.677 2.979 -10.483 1.00 0.00 N ATOM 0 H GLN A 38 -7.795 3.784 -7.514 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.750 5.055 -8.988 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.771 5.378 -8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.713 6.129 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.095 3.151 -9.718 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.681 4.088 -11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.877 2.607 -9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.790 2.764 -10.939 1.00 0.00 H new ATOM 253 N THR A 39 -7.311 6.888 -6.773 1.00 0.00 N ATOM 254 CA THR A 39 -7.216 8.136 -6.023 1.00 0.00 C ATOM 255 C THR A 39 -5.936 8.158 -5.184 1.00 0.00 C ATOM 256 O THR A 39 -5.352 9.214 -4.940 1.00 0.00 O ATOM 257 CB THR A 39 -8.446 8.312 -5.108 1.00 0.00 C ATOM 258 OG1 THR A 39 -9.644 8.216 -5.890 1.00 0.00 O ATOM 259 CG2 THR A 39 -8.417 9.655 -4.390 1.00 0.00 C ATOM 0 H THR A 39 -7.986 6.221 -6.398 1.00 0.00 H new ATOM 0 HA THR A 39 -7.187 8.961 -6.735 1.00 0.00 H new ATOM 0 HB THR A 39 -8.424 7.523 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.756 7.295 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.297 9.747 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.518 9.721 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.415 10.460 -5.125 1.00 0.00 H new ATOM 267 N PHE A 40 -5.510 6.978 -4.761 1.00 0.00 N ATOM 268 CA PHE A 40 -4.303 6.816 -3.959 1.00 0.00 C ATOM 269 C PHE A 40 -3.037 7.065 -4.788 1.00 0.00 C ATOM 270 O PHE A 40 -2.041 7.572 -4.269 1.00 0.00 O ATOM 271 CB PHE A 40 -4.281 5.415 -3.342 1.00 0.00 C ATOM 272 CG PHE A 40 -3.113 5.152 -2.437 1.00 0.00 C ATOM 273 CD1 PHE A 40 -3.004 5.785 -1.207 1.00 0.00 C ATOM 274 CD2 PHE A 40 -2.127 4.258 -2.815 1.00 0.00 C ATOM 275 CE1 PHE A 40 -1.931 5.529 -0.375 1.00 0.00 C ATOM 276 CE2 PHE A 40 -1.056 3.998 -1.992 1.00 0.00 C ATOM 277 CZ PHE A 40 -0.955 4.634 -0.770 1.00 0.00 C ATOM 0 H PHE A 40 -5.992 6.102 -4.964 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.317 7.560 -3.162 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.202 5.265 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -4.275 4.678 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.766 6.485 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.199 3.757 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.855 6.027 0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.295 3.297 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.114 4.432 -0.124 1.00 0.00 H new ATOM 287 N VAL A 41 -3.075 6.682 -6.065 1.00 0.00 N ATOM 288 CA VAL A 41 -1.929 6.844 -6.967 1.00 0.00 C ATOM 289 C VAL A 41 -1.326 8.262 -6.912 1.00 0.00 C ATOM 290 O VAL A 41 -0.116 8.399 -6.721 1.00 0.00 O ATOM 291 CB VAL A 41 -2.296 6.474 -8.428 1.00 0.00 C ATOM 292 CG1 VAL A 41 -1.191 6.881 -9.390 1.00 0.00 C ATOM 293 CG2 VAL A 41 -2.566 4.982 -8.542 1.00 0.00 C ATOM 0 H VAL A 41 -3.892 6.255 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.167 6.150 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.200 7.020 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.475 6.609 -10.407 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.037 7.958 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.268 6.367 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.822 4.736 -9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.675 4.427 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.395 4.711 -7.888 1.00 0.00 H new ATOM 303 N PRO A 42 -2.139 9.337 -7.065 1.00 0.00 N ATOM 304 CA PRO A 42 -1.646 10.717 -6.952 1.00 0.00 C ATOM 305 C PRO A 42 -0.921 10.994 -5.636 1.00 0.00 C ATOM 306 O PRO A 42 -0.076 11.887 -5.567 1.00 0.00 O ATOM 307 CB PRO A 42 -2.913 11.567 -7.031 1.00 0.00 C ATOM 308 CG PRO A 42 -3.887 10.728 -7.772 1.00 0.00 C ATOM 309 CD PRO A 42 -3.576 9.307 -7.399 1.00 0.00 C ATOM 0 HA PRO A 42 -0.913 10.931 -7.730 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.283 11.818 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.727 12.508 -7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.911 10.987 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.793 10.879 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.177 8.975 -6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.781 8.623 -8.223 1.00 0.00 H new ATOM 317 N TYR A 43 -1.234 10.225 -4.592 1.00 0.00 N ATOM 318 CA TYR A 43 -0.605 10.443 -3.292 1.00 0.00 C ATOM 319 C TYR A 43 0.818 9.909 -3.326 1.00 0.00 C ATOM 320 O TYR A 43 1.734 10.484 -2.737 1.00 0.00 O ATOM 321 CB TYR A 43 -1.389 9.762 -2.166 1.00 0.00 C ATOM 322 CG TYR A 43 -2.667 10.480 -1.784 1.00 0.00 C ATOM 323 CD1 TYR A 43 -3.853 10.248 -2.464 1.00 0.00 C ATOM 324 CD2 TYR A 43 -2.681 11.388 -0.732 1.00 0.00 C ATOM 325 CE1 TYR A 43 -5.018 10.900 -2.109 1.00 0.00 C ATOM 326 CE2 TYR A 43 -3.844 12.043 -0.372 1.00 0.00 C ATOM 327 CZ TYR A 43 -5.008 11.794 -1.065 1.00 0.00 C ATOM 328 OH TYR A 43 -6.167 12.442 -0.709 1.00 0.00 O ATOM 0 H TYR A 43 -1.907 9.459 -4.620 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.598 11.514 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.633 8.744 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.750 9.686 -1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.866 9.546 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.769 11.585 -0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.933 10.708 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.840 12.746 0.448 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.989 13.038 0.048 1.00 0.00 H new ATOM 338 N ARG A 44 0.982 8.790 -4.031 1.00 0.00 N ATOM 339 CA ARG A 44 2.281 8.146 -4.177 1.00 0.00 C ATOM 340 C ARG A 44 3.286 9.111 -4.770 1.00 0.00 C ATOM 341 O ARG A 44 4.413 9.185 -4.313 1.00 0.00 O ATOM 342 CB ARG A 44 2.188 6.905 -5.066 1.00 0.00 C ATOM 343 CG ARG A 44 1.374 5.775 -4.465 1.00 0.00 C ATOM 344 CD ARG A 44 1.363 4.558 -5.383 1.00 0.00 C ATOM 345 NE ARG A 44 0.713 3.398 -4.773 1.00 0.00 N ATOM 346 CZ ARG A 44 0.259 2.351 -5.467 1.00 0.00 C ATOM 347 NH1 ARG A 44 0.371 2.329 -6.791 1.00 0.00 N ATOM 348 NH2 ARG A 44 -0.306 1.327 -4.837 1.00 0.00 N ATOM 0 H ARG A 44 0.222 8.309 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 44 2.610 7.841 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.747 7.188 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.195 6.543 -5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.789 5.499 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.352 6.112 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.849 4.812 -6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.388 4.298 -5.648 1.00 0.00 H new ATOM 0 HE ARG A 44 0.600 3.388 -3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.804 3.113 -7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.024 1.528 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.394 1.339 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.652 0.529 -5.369 1.00 0.00 H new ATOM 362 N THR A 45 2.855 9.851 -5.782 1.00 0.00 N ATOM 363 CA THR A 45 3.708 10.832 -6.443 1.00 0.00 C ATOM 364 C THR A 45 4.365 11.791 -5.442 1.00 0.00 C ATOM 365 O THR A 45 5.538 12.132 -5.584 1.00 0.00 O ATOM 366 CB THR A 45 2.887 11.628 -7.471 1.00 0.00 C ATOM 367 OG1 THR A 45 2.207 10.715 -8.343 1.00 0.00 O ATOM 368 CG2 THR A 45 3.770 12.555 -8.293 1.00 0.00 C ATOM 0 H THR A 45 1.912 9.790 -6.166 1.00 0.00 H new ATOM 0 HA THR A 45 4.506 10.289 -6.948 1.00 0.00 H new ATOM 0 HB THR A 45 2.166 12.242 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.681 11.219 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.156 13.102 -9.009 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.271 13.261 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.516 11.967 -8.828 1.00 0.00 H new ATOM 376 N ALA A 46 3.628 12.185 -4.412 1.00 0.00 N ATOM 377 CA ALA A 46 4.173 13.054 -3.372 1.00 0.00 C ATOM 378 C ALA A 46 5.308 12.345 -2.632 1.00 0.00 C ATOM 379 O ALA A 46 6.339 12.940 -2.307 1.00 0.00 O ATOM 380 CB ALA A 46 3.076 13.469 -2.402 1.00 0.00 C ATOM 0 H ALA A 46 2.653 11.919 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 46 4.575 13.953 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.497 14.116 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.297 14.007 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.648 12.582 -1.936 1.00 0.00 H new ATOM 386 N VAL A 47 5.105 11.060 -2.405 1.00 0.00 N ATOM 387 CA VAL A 47 6.095 10.217 -1.747 1.00 0.00 C ATOM 388 C VAL A 47 7.278 9.958 -2.680 1.00 0.00 C ATOM 389 O VAL A 47 8.439 10.037 -2.271 1.00 0.00 O ATOM 390 CB VAL A 47 5.483 8.872 -1.293 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.557 7.941 -0.749 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.402 9.104 -0.248 1.00 0.00 C ATOM 0 H VAL A 47 4.251 10.569 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 47 6.443 10.749 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 47 5.030 8.396 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.100 7.002 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.296 7.744 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.045 8.409 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.982 8.146 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.834 9.606 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.614 9.726 -0.672 1.00 0.00 H new ATOM 402 N GLU A 48 6.967 9.678 -3.940 1.00 0.00 N ATOM 403 CA GLU A 48 7.974 9.363 -4.944 1.00 0.00 C ATOM 404 C GLU A 48 8.898 10.553 -5.174 1.00 0.00 C ATOM 405 O GLU A 48 10.106 10.392 -5.302 1.00 0.00 O ATOM 406 CB GLU A 48 7.312 8.962 -6.269 1.00 0.00 C ATOM 407 CG GLU A 48 6.333 7.801 -6.159 1.00 0.00 C ATOM 408 CD GLU A 48 6.975 6.536 -5.633 1.00 0.00 C ATOM 409 OE1 GLU A 48 6.763 6.201 -4.451 1.00 0.00 O ATOM 410 OE2 GLU A 48 7.699 5.871 -6.406 1.00 0.00 O ATOM 0 H GLU A 48 6.010 9.663 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 48 8.563 8.524 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.787 9.827 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.091 8.698 -6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.512 8.086 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.901 7.602 -7.140 1.00 0.00 H new ATOM 417 N LEU A 49 8.319 11.750 -5.219 1.00 0.00 N ATOM 418 CA LEU A 49 9.097 12.969 -5.423 1.00 0.00 C ATOM 419 C LEU A 49 10.082 13.183 -4.283 1.00 0.00 C ATOM 420 O LEU A 49 11.231 13.558 -4.509 1.00 0.00 O ATOM 421 CB LEU A 49 8.176 14.186 -5.565 1.00 0.00 C ATOM 422 CG LEU A 49 7.855 14.608 -7.006 1.00 0.00 C ATOM 423 CD1 LEU A 49 9.104 15.130 -7.702 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.258 13.450 -7.795 1.00 0.00 C ATOM 0 H LEU A 49 7.316 11.902 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 49 9.662 12.853 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.239 13.973 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.637 15.030 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 49 7.117 15.409 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.856 15.424 -8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.489 15.993 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.862 14.347 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.040 13.777 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.969 12.624 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.337 13.119 -7.315 1.00 0.00 H new ATOM 436 N CYS A 50 9.637 12.926 -3.063 1.00 0.00 N ATOM 437 CA CYS A 50 10.515 13.014 -1.906 1.00 0.00 C ATOM 438 C CYS A 50 11.623 11.965 -2.012 1.00 0.00 C ATOM 439 O CYS A 50 12.802 12.258 -1.785 1.00 0.00 O ATOM 440 CB CYS A 50 9.711 12.829 -0.618 1.00 0.00 C ATOM 441 SG CYS A 50 10.727 12.655 0.882 1.00 0.00 S ATOM 0 H CYS A 50 8.677 12.656 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 50 10.976 14.002 -1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 50 9.045 13.683 -0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 50 9.081 11.945 -0.721 1.00 0.00 H new ATOM 446 N ALA A 51 11.233 10.744 -2.372 1.00 0.00 N ATOM 447 CA ALA A 51 12.185 9.657 -2.595 1.00 0.00 C ATOM 448 C ALA A 51 13.183 9.993 -3.705 1.00 0.00 C ATOM 449 O ALA A 51 14.284 9.456 -3.738 1.00 0.00 O ATOM 450 CB ALA A 51 11.451 8.367 -2.927 1.00 0.00 C ATOM 0 H ALA A 51 10.258 10.481 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 51 12.747 9.523 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.175 7.568 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.795 8.099 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.857 8.508 -3.830 1.00 0.00 H new ATOM 456 N LEU A 52 12.786 10.856 -4.625 1.00 0.00 N ATOM 457 CA LEU A 52 13.674 11.284 -5.703 1.00 0.00 C ATOM 458 C LEU A 52 14.602 12.409 -5.246 1.00 0.00 C ATOM 459 O LEU A 52 15.736 12.519 -5.712 1.00 0.00 O ATOM 460 CB LEU A 52 12.864 11.738 -6.925 1.00 0.00 C ATOM 461 CG LEU A 52 12.088 10.633 -7.653 1.00 0.00 C ATOM 462 CD1 LEU A 52 11.246 11.224 -8.774 1.00 0.00 C ATOM 463 CD2 LEU A 52 13.039 9.576 -8.202 1.00 0.00 C ATOM 0 H LEU A 52 11.857 11.276 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 52 14.287 10.427 -5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.157 12.504 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.544 12.208 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 52 11.423 10.154 -6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.702 10.426 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.537 11.939 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.895 11.730 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.467 8.802 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.732 10.040 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.599 9.129 -7.381 1.00 0.00 H new ATOM 475 N GLU A 53 14.111 13.235 -4.334 1.00 0.00 N ATOM 476 CA GLU A 53 14.859 14.391 -3.850 1.00 0.00 C ATOM 477 C GLU A 53 15.974 13.976 -2.889 1.00 0.00 C ATOM 478 O GLU A 53 17.099 14.458 -2.981 1.00 0.00 O ATOM 479 CB GLU A 53 13.908 15.370 -3.152 1.00 0.00 C ATOM 480 CG GLU A 53 14.584 16.639 -2.655 1.00 0.00 C ATOM 481 CD GLU A 53 15.061 17.524 -3.784 1.00 0.00 C ATOM 482 OE1 GLU A 53 16.157 17.269 -4.325 1.00 0.00 O ATOM 483 OE2 GLU A 53 14.345 18.484 -4.134 1.00 0.00 O ATOM 0 H GLU A 53 13.190 13.126 -3.910 1.00 0.00 H new ATOM 0 HA GLU A 53 15.321 14.877 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.111 15.642 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 53 13.439 14.865 -2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.886 17.197 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.432 16.372 -2.025 1.00 0.00 H new ATOM 490 N HIS A 54 15.657 13.073 -1.975 1.00 0.00 N ATOM 491 CA HIS A 54 16.611 12.682 -0.938 1.00 0.00 C ATOM 492 C HIS A 54 17.143 11.276 -1.185 1.00 0.00 C ATOM 493 O HIS A 54 18.112 10.842 -0.563 1.00 0.00 O ATOM 494 CB HIS A 54 15.967 12.771 0.447 1.00 0.00 C ATOM 495 CG HIS A 54 15.568 14.161 0.839 1.00 0.00 C ATOM 496 ND1 HIS A 54 16.346 14.971 1.633 1.00 0.00 N ATOM 497 CD2 HIS A 54 14.456 14.879 0.549 1.00 0.00 C ATOM 498 CE1 HIS A 54 15.733 16.125 1.816 1.00 0.00 C ATOM 499 NE2 HIS A 54 14.584 16.095 1.169 1.00 0.00 N ATOM 0 H HIS A 54 14.756 12.598 -1.926 1.00 0.00 H new ATOM 0 HA HIS A 54 17.451 13.375 -0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 54 15.086 12.130 0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 54 16.665 12.380 1.188 1.00 0.00 H new ATOM 0 HD1 HIS A 54 17.255 14.719 2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 54 13.624 14.554 -0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.109 16.954 2.397 1.00 0.00 H new ATOM 508 N GLY A 55 16.489 10.579 -2.099 1.00 0.00 N ATOM 509 CA GLY A 55 16.824 9.207 -2.445 1.00 0.00 C ATOM 510 C GLY A 55 16.528 8.208 -1.338 1.00 0.00 C ATOM 511 O GLY A 55 16.404 7.013 -1.604 1.00 0.00 O ATOM 0 H GLY A 55 15.701 10.954 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.269 8.921 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.883 9.153 -2.697 1.00 0.00 H new ATOM 515 N GLY A 56 16.411 8.680 -0.104 1.00 0.00 N ATOM 516 CA GLY A 56 15.797 7.864 0.923 1.00 0.00 C ATOM 517 C GLY A 56 14.504 8.452 1.456 1.00 0.00 C ATOM 518 O GLY A 56 14.332 9.670 1.488 1.00 0.00 O ATOM 0 H GLY A 56 16.726 9.601 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.599 6.871 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.499 7.739 1.747 1.00 0.00 H new ATOM 522 N LEU A 57 13.605 7.572 1.881 1.00 0.00 N ATOM 523 CA LEU A 57 12.302 7.965 2.413 1.00 0.00 C ATOM 524 C LEU A 57 12.407 8.553 3.816 1.00 0.00 C ATOM 525 O LEU A 57 11.406 8.972 4.390 1.00 0.00 O ATOM 526 CB LEU A 57 11.361 6.762 2.449 1.00 0.00 C ATOM 527 CG LEU A 57 11.034 6.133 1.096 1.00 0.00 C ATOM 528 CD1 LEU A 57 10.319 4.807 1.296 1.00 0.00 C ATOM 529 CD2 LEU A 57 10.183 7.071 0.252 1.00 0.00 C ATOM 0 H LEU A 57 13.758 6.564 1.867 1.00 0.00 H new ATOM 0 HA LEU A 57 11.907 8.734 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.804 5.997 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.428 7.069 2.921 1.00 0.00 H new ATOM 0 HG LEU A 57 11.969 5.955 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.090 4.367 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.960 4.129 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.393 4.972 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.964 6.600 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.250 7.284 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.725 8.002 0.083 1.00 0.00 H new ATOM 541 N ASP A 58 13.610 8.553 4.373 1.00 0.00 N ATOM 542 CA ASP A 58 13.835 8.995 5.750 1.00 0.00 C ATOM 543 C ASP A 58 13.274 10.396 6.000 1.00 0.00 C ATOM 544 O ASP A 58 12.859 10.721 7.107 1.00 0.00 O ATOM 545 CB ASP A 58 15.331 8.986 6.082 1.00 0.00 C ATOM 546 CG ASP A 58 15.977 7.633 5.871 1.00 0.00 C ATOM 547 OD1 ASP A 58 15.693 6.698 6.648 1.00 0.00 O ATOM 548 OD2 ASP A 58 16.791 7.501 4.932 1.00 0.00 O ATOM 0 H ASP A 58 14.456 8.249 3.890 1.00 0.00 H new ATOM 0 HA ASP A 58 13.309 8.293 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.839 9.725 5.463 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.469 9.290 7.120 1.00 0.00 H new ATOM 553 N THR A 59 13.293 11.228 4.976 1.00 0.00 N ATOM 554 CA THR A 59 12.773 12.584 5.089 1.00 0.00 C ATOM 555 C THR A 59 11.301 12.680 4.687 1.00 0.00 C ATOM 556 O THR A 59 10.682 13.736 4.806 1.00 0.00 O ATOM 557 CB THR A 59 13.597 13.532 4.208 1.00 0.00 C ATOM 558 OG1 THR A 59 13.619 13.030 2.865 1.00 0.00 O ATOM 559 CG2 THR A 59 15.019 13.656 4.728 1.00 0.00 C ATOM 0 H THR A 59 13.662 10.992 4.055 1.00 0.00 H new ATOM 0 HA THR A 59 12.852 12.871 6.138 1.00 0.00 H new ATOM 0 HB THR A 59 13.136 14.519 4.230 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.726 13.114 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 59 15.583 14.333 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 59 15.002 14.049 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.494 12.675 4.726 1.00 0.00 H new ATOM 567 N CYS A 60 10.731 11.581 4.232 1.00 0.00 N ATOM 568 CA CYS A 60 9.407 11.609 3.633 1.00 0.00 C ATOM 569 C CYS A 60 8.308 11.413 4.675 1.00 0.00 C ATOM 570 O CYS A 60 7.643 10.383 4.709 1.00 0.00 O ATOM 571 CB CYS A 60 9.314 10.540 2.547 1.00 0.00 C ATOM 572 SG CYS A 60 10.620 10.669 1.280 1.00 0.00 S ATOM 0 H CYS A 60 11.162 10.657 4.265 1.00 0.00 H new ATOM 0 HA CYS A 60 9.256 12.593 3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.367 9.556 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 60 8.341 10.611 2.062 1.00 0.00 H new ATOM 577 N ASP A 61 8.117 12.410 5.519 1.00 0.00 N ATOM 578 CA ASP A 61 7.063 12.359 6.523 1.00 0.00 C ATOM 579 C ASP A 61 5.956 13.343 6.175 1.00 0.00 C ATOM 580 O ASP A 61 6.215 14.411 5.621 1.00 0.00 O ATOM 581 CB ASP A 61 7.619 12.661 7.918 1.00 0.00 C ATOM 582 CG ASP A 61 8.443 11.516 8.477 1.00 0.00 C ATOM 583 OD1 ASP A 61 7.851 10.476 8.849 1.00 0.00 O ATOM 584 OD2 ASP A 61 9.678 11.653 8.558 1.00 0.00 O ATOM 0 H ASP A 61 8.675 13.264 5.532 1.00 0.00 H new ATOM 0 HA ASP A 61 6.651 11.350 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.235 13.559 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.793 12.874 8.596 1.00 0.00 H new ATOM 589 N GLY A 62 4.721 12.970 6.495 1.00 0.00 N ATOM 590 CA GLY A 62 3.576 13.783 6.134 1.00 0.00 C ATOM 591 C GLY A 62 3.545 15.102 6.873 1.00 0.00 C ATOM 592 O GLY A 62 3.384 15.133 8.094 1.00 0.00 O ATOM 0 H GLY A 62 4.493 12.114 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.593 13.972 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.661 13.230 6.346 1.00 0.00 H new ATOM 596 N GLY A 63 3.691 16.191 6.134 1.00 0.00 N ATOM 597 CA GLY A 63 3.699 17.504 6.738 1.00 0.00 C ATOM 598 C GLY A 63 5.055 18.172 6.643 1.00 0.00 C ATOM 599 O GLY A 63 5.251 19.271 7.163 1.00 0.00 O ATOM 0 H GLY A 63 3.805 16.187 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.953 18.131 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.410 17.421 7.786 1.00 0.00 H new ATOM 603 N SER A 64 5.997 17.511 5.981 1.00 0.00 N ATOM 604 CA SER A 64 7.343 18.034 5.851 1.00 0.00 C ATOM 605 C SER A 64 7.969 17.596 4.524 1.00 0.00 C ATOM 606 O SER A 64 7.432 16.725 3.837 1.00 0.00 O ATOM 607 CB SER A 64 8.189 17.553 7.037 1.00 0.00 C ATOM 608 OG SER A 64 9.503 18.079 6.988 1.00 0.00 O ATOM 0 H SER A 64 5.849 16.610 5.526 1.00 0.00 H new ATOM 0 HA SER A 64 7.307 19.123 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.711 17.852 7.970 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.232 16.464 7.036 1.00 0.00 H new ATOM 0 HG SER A 64 10.068 17.496 6.439 1.00 0.00 H new ATOM 614 N ASN A 65 9.099 18.218 4.174 1.00 0.00 N ATOM 615 CA ASN A 65 9.861 17.887 2.962 1.00 0.00 C ATOM 616 C ASN A 65 8.998 17.900 1.705 1.00 0.00 C ATOM 617 O ASN A 65 9.096 17.009 0.861 1.00 0.00 O ATOM 618 CB ASN A 65 10.554 16.530 3.117 1.00 0.00 C ATOM 619 CG ASN A 65 11.774 16.608 4.022 1.00 0.00 C ATOM 620 OD1 ASN A 65 11.568 16.486 5.327 1.00 0.00 O flip ATOM 621 ND2 ASN A 65 12.898 16.797 3.553 1.00 0.00 N flip ATOM 0 H ASN A 65 9.514 18.969 4.725 1.00 0.00 H new ATOM 0 HA ASN A 65 10.615 18.665 2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.847 15.807 3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.855 16.163 2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.021 16.886 2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.705 16.864 4.173 1.00 0.00 H new ATOM 628 N GLY A 66 8.151 18.912 1.586 1.00 0.00 N ATOM 629 CA GLY A 66 7.344 19.063 0.392 1.00 0.00 C ATOM 630 C GLY A 66 6.093 18.210 0.419 1.00 0.00 C ATOM 631 O GLY A 66 5.217 18.363 -0.430 1.00 0.00 O ATOM 0 H GLY A 66 8.008 19.631 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.062 20.110 0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.941 18.798 -0.481 1.00 0.00 H new ATOM 635 N ILE A 67 6.006 17.314 1.391 1.00 0.00 N ATOM 636 CA ILE A 67 4.867 16.428 1.504 1.00 0.00 C ATOM 637 C ILE A 67 3.809 17.049 2.406 1.00 0.00 C ATOM 638 O ILE A 67 4.066 17.310 3.581 1.00 0.00 O ATOM 639 CB ILE A 67 5.272 15.047 2.060 1.00 0.00 C ATOM 640 CG1 ILE A 67 6.353 14.423 1.176 1.00 0.00 C ATOM 641 CG2 ILE A 67 4.059 14.127 2.147 1.00 0.00 C ATOM 642 CD1 ILE A 67 6.754 13.030 1.602 1.00 0.00 C ATOM 0 H ILE A 67 6.715 17.185 2.113 1.00 0.00 H new ATOM 0 HA ILE A 67 4.461 16.285 0.503 1.00 0.00 H new ATOM 0 HB ILE A 67 5.673 15.179 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.995 14.390 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.234 15.065 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.365 13.158 2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.314 14.569 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.630 13.996 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.524 12.651 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.143 13.059 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.885 12.374 1.564 1.00 0.00 H new ATOM 654 N PRO A 68 2.608 17.303 1.870 1.00 0.00 N ATOM 655 CA PRO A 68 1.521 17.911 2.634 1.00 0.00 C ATOM 656 C PRO A 68 0.999 16.967 3.711 1.00 0.00 C ATOM 657 O PRO A 68 0.997 15.748 3.527 1.00 0.00 O ATOM 658 CB PRO A 68 0.427 18.172 1.591 1.00 0.00 C ATOM 659 CG PRO A 68 1.071 17.964 0.261 1.00 0.00 C ATOM 660 CD PRO A 68 2.208 17.010 0.488 1.00 0.00 C ATOM 0 HA PRO A 68 1.846 18.813 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.414 17.492 1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.035 19.185 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.359 17.556 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.431 18.908 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.895 15.973 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.024 17.180 -0.214 1.00 0.00 H new ATOM 668 N SER A 69 0.591 17.536 4.839 1.00 0.00 N ATOM 669 CA SER A 69 -0.013 16.769 5.914 1.00 0.00 C ATOM 670 C SER A 69 -1.177 15.932 5.385 1.00 0.00 C ATOM 671 O SER A 69 -2.100 16.462 4.755 1.00 0.00 O ATOM 672 CB SER A 69 -0.481 17.716 7.023 1.00 0.00 C ATOM 673 OG SER A 69 -1.295 18.759 6.503 1.00 0.00 O ATOM 0 H SER A 69 0.670 18.535 5.031 1.00 0.00 H new ATOM 0 HA SER A 69 0.730 16.086 6.327 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.040 17.155 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.385 18.145 7.527 1.00 0.00 H new ATOM 0 HG SER A 69 -1.874 18.401 5.798 1.00 0.00 H new ATOM 679 N PRO A 70 -1.139 14.607 5.628 1.00 0.00 N ATOM 680 CA PRO A 70 -2.119 13.665 5.079 1.00 0.00 C ATOM 681 C PRO A 70 -3.543 14.023 5.464 1.00 0.00 C ATOM 682 O PRO A 70 -3.850 14.261 6.635 1.00 0.00 O ATOM 683 CB PRO A 70 -1.722 12.315 5.687 1.00 0.00 C ATOM 684 CG PRO A 70 -0.854 12.653 6.846 1.00 0.00 C ATOM 685 CD PRO A 70 -0.148 13.923 6.468 1.00 0.00 C ATOM 0 HA PRO A 70 -2.108 13.667 3.989 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.600 11.751 6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.190 11.698 4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.445 12.788 7.752 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.141 11.854 7.047 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.117 14.515 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.776 13.726 5.925 1.00 0.00 H new ATOM 693 N THR A 71 -4.407 14.063 4.472 1.00 0.00 N ATOM 694 CA THR A 71 -5.785 14.449 4.671 1.00 0.00 C ATOM 695 C THR A 71 -6.695 13.302 4.252 1.00 0.00 C ATOM 696 O THR A 71 -6.220 12.262 3.793 1.00 0.00 O ATOM 697 CB THR A 71 -6.122 15.727 3.866 1.00 0.00 C ATOM 698 OG1 THR A 71 -7.427 16.209 4.209 1.00 0.00 O ATOM 699 CG2 THR A 71 -6.054 15.470 2.366 1.00 0.00 C ATOM 0 H THR A 71 -4.173 13.829 3.507 1.00 0.00 H new ATOM 0 HA THR A 71 -5.942 14.669 5.727 1.00 0.00 H new ATOM 0 HB THR A 71 -5.379 16.481 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.623 17.018 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.296 16.387 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.048 15.146 2.098 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.769 14.693 2.097 1.00 0.00 H new ATOM 707 N THR A 72 -7.988 13.484 4.409 1.00 0.00 N ATOM 708 CA THR A 72 -8.939 12.459 4.046 1.00 0.00 C ATOM 709 C THR A 72 -9.995 13.018 3.112 1.00 0.00 C ATOM 710 O THR A 72 -10.629 14.034 3.404 1.00 0.00 O ATOM 711 CB THR A 72 -9.618 11.844 5.286 1.00 0.00 C ATOM 712 OG1 THR A 72 -10.126 12.880 6.142 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.645 10.971 6.060 1.00 0.00 C ATOM 0 H THR A 72 -8.405 14.335 4.787 1.00 0.00 H new ATOM 0 HA THR A 72 -8.384 11.671 3.536 1.00 0.00 H new ATOM 0 HB THR A 72 -10.446 11.223 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.481 13.612 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.148 10.549 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.291 10.164 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.797 11.573 6.388 1.00 0.00 H new ATOM 721 N THR A 73 -10.157 12.364 1.978 1.00 0.00 N ATOM 722 CA THR A 73 -11.225 12.681 1.059 1.00 0.00 C ATOM 723 C THR A 73 -12.529 12.142 1.625 1.00 0.00 C ATOM 724 O THR A 73 -12.528 11.524 2.693 1.00 0.00 O ATOM 725 CB THR A 73 -10.982 12.072 -0.336 1.00 0.00 C ATOM 726 OG1 THR A 73 -11.032 10.647 -0.253 1.00 0.00 O ATOM 727 CG2 THR A 73 -9.632 12.501 -0.892 1.00 0.00 C ATOM 0 H THR A 73 -9.553 11.601 1.672 1.00 0.00 H new ATOM 0 HA THR A 73 -11.269 13.764 0.943 1.00 0.00 H new ATOM 0 HB THR A 73 -11.762 12.432 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.816 10.261 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.486 12.057 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.601 13.587 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.840 12.166 -0.222 1.00 0.00 H new ATOM 735 N ARG A 74 -13.630 12.372 0.937 1.00 0.00 N ATOM 736 CA ARG A 74 -14.921 11.891 1.402 1.00 0.00 C ATOM 737 C ARG A 74 -14.886 10.386 1.672 1.00 0.00 C ATOM 738 O ARG A 74 -15.384 9.928 2.701 1.00 0.00 O ATOM 739 CB ARG A 74 -16.006 12.213 0.368 1.00 0.00 C ATOM 740 CG ARG A 74 -17.332 11.513 0.624 1.00 0.00 C ATOM 741 CD ARG A 74 -17.919 11.891 1.976 1.00 0.00 C ATOM 742 NE ARG A 74 -19.133 11.137 2.266 1.00 0.00 N ATOM 743 CZ ARG A 74 -19.491 10.735 3.486 1.00 0.00 C ATOM 744 NH1 ARG A 74 -18.716 10.996 4.534 1.00 0.00 N ATOM 745 NH2 ARG A 74 -20.619 10.061 3.656 1.00 0.00 N ATOM 0 H ARG A 74 -13.659 12.887 0.057 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.153 12.398 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.172 13.290 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.645 11.934 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.038 11.773 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.188 10.434 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.181 11.708 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.141 12.958 1.991 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.747 10.902 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.842 11.506 4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.995 10.686 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.213 9.850 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.894 9.753 4.589 1.00 0.00 H new ATOM 759 N TYR A 75 -14.275 9.624 0.773 1.00 0.00 N ATOM 760 CA TYR A 75 -14.290 8.174 0.893 1.00 0.00 C ATOM 761 C TYR A 75 -13.071 7.633 1.637 1.00 0.00 C ATOM 762 O TYR A 75 -13.081 6.483 2.064 1.00 0.00 O ATOM 763 CB TYR A 75 -14.379 7.544 -0.496 1.00 0.00 C ATOM 764 CG TYR A 75 -15.488 8.130 -1.338 1.00 0.00 C ATOM 765 CD1 TYR A 75 -16.820 7.872 -1.040 1.00 0.00 C ATOM 766 CD2 TYR A 75 -15.203 8.947 -2.423 1.00 0.00 C ATOM 767 CE1 TYR A 75 -17.838 8.413 -1.801 1.00 0.00 C ATOM 768 CE2 TYR A 75 -16.215 9.492 -3.187 1.00 0.00 C ATOM 769 CZ TYR A 75 -17.527 9.222 -2.874 1.00 0.00 C ATOM 770 OH TYR A 75 -18.534 9.768 -3.634 1.00 0.00 O ATOM 0 H TYR A 75 -13.769 9.982 -0.037 1.00 0.00 H new ATOM 0 HA TYR A 75 -15.167 7.905 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -13.428 7.679 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -14.537 6.470 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -17.064 7.238 -0.200 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -14.174 9.159 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -18.869 8.204 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -15.978 10.128 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 75 -18.145 10.313 -4.350 1.00 0.00 H new ATOM 780 N VAL A 76 -12.032 8.446 1.811 1.00 0.00 N ATOM 781 CA VAL A 76 -10.832 7.991 2.513 1.00 0.00 C ATOM 782 C VAL A 76 -11.039 8.081 4.018 1.00 0.00 C ATOM 783 O VAL A 76 -11.482 9.103 4.540 1.00 0.00 O ATOM 784 CB VAL A 76 -9.572 8.794 2.113 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.406 8.485 3.047 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.182 8.481 0.678 1.00 0.00 C ATOM 0 H VAL A 76 -11.994 9.410 1.481 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.667 6.954 2.221 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.808 9.855 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.533 9.063 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.678 8.749 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.172 7.422 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.294 9.053 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.971 7.416 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.002 8.749 0.011 1.00 0.00 H new ATOM 796 N SER A 77 -10.716 6.995 4.703 1.00 0.00 N ATOM 797 CA SER A 77 -11.002 6.877 6.123 1.00 0.00 C ATOM 798 C SER A 77 -9.872 7.478 6.955 1.00 0.00 C ATOM 799 O SER A 77 -10.121 8.260 7.875 1.00 0.00 O ATOM 800 CB SER A 77 -11.215 5.405 6.496 1.00 0.00 C ATOM 801 OG SER A 77 -11.752 5.271 7.800 1.00 0.00 O ATOM 0 H SER A 77 -10.254 6.181 4.297 1.00 0.00 H new ATOM 0 HA SER A 77 -11.915 7.432 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.887 4.940 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.266 4.873 6.436 1.00 0.00 H new ATOM 0 HG SER A 77 -11.950 4.328 7.977 1.00 0.00 H new ATOM 807 N ALA A 78 -8.636 7.129 6.617 1.00 0.00 N ATOM 808 CA ALA A 78 -7.472 7.585 7.363 1.00 0.00 C ATOM 809 C ALA A 78 -6.198 7.171 6.651 1.00 0.00 C ATOM 810 O ALA A 78 -6.161 6.133 5.989 1.00 0.00 O ATOM 811 CB ALA A 78 -7.481 7.023 8.777 1.00 0.00 C ATOM 0 H ALA A 78 -8.415 6.527 5.824 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.511 8.673 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.602 7.377 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.381 7.354 9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.466 5.934 8.736 1.00 0.00 H new ATOM 817 N MET A 79 -5.169 7.991 6.787 1.00 0.00 N ATOM 818 CA MET A 79 -3.866 7.709 6.204 1.00 0.00 C ATOM 819 C MET A 79 -2.806 8.581 6.861 1.00 0.00 C ATOM 820 O MET A 79 -3.050 9.750 7.162 1.00 0.00 O ATOM 821 CB MET A 79 -3.870 7.939 4.685 1.00 0.00 C ATOM 822 CG MET A 79 -4.376 9.312 4.257 1.00 0.00 C ATOM 823 SD MET A 79 -3.988 9.692 2.535 1.00 0.00 S ATOM 824 CE MET A 79 -4.787 8.333 1.684 1.00 0.00 C ATOM 0 H MET A 79 -5.212 8.870 7.303 1.00 0.00 H new ATOM 0 HA MET A 79 -3.635 6.659 6.383 1.00 0.00 H new ATOM 0 HB2 MET A 79 -2.857 7.805 4.307 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.489 7.175 4.216 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.456 9.358 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.936 10.074 4.901 1.00 0.00 H new ATOM 0 HE1 MET A 79 -5.230 8.695 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.050 7.562 1.458 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.567 7.914 2.320 1.00 0.00 H new ATOM 834 N SER A 80 -1.644 8.003 7.104 1.00 0.00 N ATOM 835 CA SER A 80 -0.535 8.732 7.698 1.00 0.00 C ATOM 836 C SER A 80 0.764 8.384 6.979 1.00 0.00 C ATOM 837 O SER A 80 0.985 7.230 6.610 1.00 0.00 O ATOM 838 CB SER A 80 -0.434 8.402 9.189 1.00 0.00 C ATOM 839 OG SER A 80 -1.653 8.698 9.859 1.00 0.00 O ATOM 0 H SER A 80 -1.442 7.025 6.898 1.00 0.00 H new ATOM 0 HA SER A 80 -0.711 9.802 7.591 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.192 7.347 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.380 8.972 9.637 1.00 0.00 H new ATOM 0 HG SER A 80 -1.565 8.478 10.810 1.00 0.00 H new ATOM 845 N VAL A 81 1.610 9.384 6.775 1.00 0.00 N ATOM 846 CA VAL A 81 2.857 9.197 6.048 1.00 0.00 C ATOM 847 C VAL A 81 4.025 9.197 7.019 1.00 0.00 C ATOM 848 O VAL A 81 4.305 10.211 7.667 1.00 0.00 O ATOM 849 CB VAL A 81 3.073 10.308 4.993 1.00 0.00 C ATOM 850 CG1 VAL A 81 4.295 10.017 4.132 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.834 10.486 4.130 1.00 0.00 C ATOM 0 H VAL A 81 1.454 10.337 7.104 1.00 0.00 H new ATOM 0 HA VAL A 81 2.798 8.239 5.531 1.00 0.00 H new ATOM 0 HB VAL A 81 3.252 11.242 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.422 10.814 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.181 9.961 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.158 9.068 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.011 11.273 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.613 9.552 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.988 10.762 4.760 1.00 0.00 H new ATOM 861 N ALA A 82 4.706 8.070 7.117 1.00 0.00 N ATOM 862 CA ALA A 82 5.812 7.931 8.045 1.00 0.00 C ATOM 863 C ALA A 82 7.031 7.352 7.339 1.00 0.00 C ATOM 864 O ALA A 82 7.064 6.178 6.986 1.00 0.00 O ATOM 865 CB ALA A 82 5.402 7.053 9.215 1.00 0.00 C ATOM 0 H ALA A 82 4.511 7.236 6.563 1.00 0.00 H new ATOM 0 HA ALA A 82 6.077 8.917 8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.239 6.954 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.556 7.507 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.117 6.067 8.848 1.00 0.00 H new ATOM 871 N LYS A 83 8.040 8.191 7.184 1.00 0.00 N ATOM 872 CA LYS A 83 9.257 7.834 6.447 1.00 0.00 C ATOM 873 C LYS A 83 8.900 7.171 5.106 1.00 0.00 C ATOM 874 O LYS A 83 9.450 6.130 4.739 1.00 0.00 O ATOM 875 CB LYS A 83 10.145 6.899 7.284 1.00 0.00 C ATOM 876 CG LYS A 83 10.508 7.461 8.653 1.00 0.00 C ATOM 877 CD LYS A 83 11.164 8.824 8.538 1.00 0.00 C ATOM 878 CE LYS A 83 11.558 9.393 9.892 1.00 0.00 C ATOM 879 NZ LYS A 83 11.925 10.830 9.785 1.00 0.00 N ATOM 0 H LYS A 83 8.047 9.139 7.561 1.00 0.00 H new ATOM 0 HA LYS A 83 9.814 8.749 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.631 5.947 7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.062 6.692 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.610 7.539 9.265 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.183 6.773 9.163 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.050 8.746 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.480 9.513 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.731 9.277 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.399 8.829 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.410 11.130 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.558 10.967 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.065 11.399 9.654 1.00 0.00 H new ATOM 893 N GLY A 84 7.943 7.778 4.407 1.00 0.00 N ATOM 894 CA GLY A 84 7.502 7.321 3.096 1.00 0.00 C ATOM 895 C GLY A 84 6.528 6.156 3.148 1.00 0.00 C ATOM 896 O GLY A 84 5.726 5.976 2.235 1.00 0.00 O ATOM 0 H GLY A 84 7.450 8.607 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.032 8.152 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.374 7.028 2.512 1.00 0.00 H new ATOM 900 N VAL A 85 6.597 5.372 4.207 1.00 0.00 N ATOM 901 CA VAL A 85 5.625 4.307 4.403 1.00 0.00 C ATOM 902 C VAL A 85 4.312 4.918 4.865 1.00 0.00 C ATOM 903 O VAL A 85 4.306 5.881 5.630 1.00 0.00 O ATOM 904 CB VAL A 85 6.117 3.207 5.381 1.00 0.00 C ATOM 905 CG1 VAL A 85 7.601 2.958 5.189 1.00 0.00 C ATOM 906 CG2 VAL A 85 5.810 3.541 6.832 1.00 0.00 C ATOM 0 H VAL A 85 7.305 5.448 4.937 1.00 0.00 H new ATOM 0 HA VAL A 85 5.480 3.800 3.449 1.00 0.00 H new ATOM 0 HB VAL A 85 5.569 2.295 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.933 2.184 5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.786 2.632 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.152 3.878 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.175 2.740 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.302 4.475 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.733 3.648 6.961 1.00 0.00 H new ATOM 916 N VAL A 86 3.195 4.397 4.385 1.00 0.00 N ATOM 917 CA VAL A 86 1.910 5.007 4.670 1.00 0.00 C ATOM 918 C VAL A 86 0.938 3.984 5.239 1.00 0.00 C ATOM 919 O VAL A 86 0.693 2.930 4.644 1.00 0.00 O ATOM 920 CB VAL A 86 1.291 5.681 3.424 1.00 0.00 C ATOM 921 CG1 VAL A 86 2.103 6.898 3.010 1.00 0.00 C ATOM 922 CG2 VAL A 86 1.188 4.707 2.267 1.00 0.00 C ATOM 0 H VAL A 86 3.153 3.561 3.802 1.00 0.00 H new ATOM 0 HA VAL A 86 2.091 5.784 5.413 1.00 0.00 H new ATOM 0 HB VAL A 86 0.285 6.004 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.649 7.356 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.120 7.619 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.122 6.592 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.749 5.210 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.182 4.344 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.558 3.865 2.555 1.00 0.00 H new ATOM 932 N SER A 87 0.435 4.287 6.417 1.00 0.00 N ATOM 933 CA SER A 87 -0.522 3.426 7.077 1.00 0.00 C ATOM 934 C SER A 87 -1.940 3.970 6.971 1.00 0.00 C ATOM 935 O SER A 87 -2.223 5.113 7.343 1.00 0.00 O ATOM 936 CB SER A 87 -0.117 3.255 8.541 1.00 0.00 C ATOM 937 OG SER A 87 0.332 4.486 9.089 1.00 0.00 O ATOM 0 H SER A 87 0.675 5.129 6.940 1.00 0.00 H new ATOM 0 HA SER A 87 -0.516 2.456 6.579 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.965 2.884 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.673 2.508 8.619 1.00 0.00 H new ATOM 0 HG SER A 87 0.584 4.354 10.027 1.00 0.00 H new ATOM 943 N LEU A 88 -2.823 3.139 6.433 1.00 0.00 N ATOM 944 CA LEU A 88 -4.237 3.459 6.325 1.00 0.00 C ATOM 945 C LEU A 88 -5.021 2.491 7.197 1.00 0.00 C ATOM 946 O LEU A 88 -4.623 1.335 7.340 1.00 0.00 O ATOM 947 CB LEU A 88 -4.730 3.357 4.875 1.00 0.00 C ATOM 948 CG LEU A 88 -4.051 4.296 3.866 1.00 0.00 C ATOM 949 CD1 LEU A 88 -2.716 3.732 3.393 1.00 0.00 C ATOM 950 CD2 LEU A 88 -4.971 4.554 2.682 1.00 0.00 C ATOM 0 H LEU A 88 -2.577 2.223 6.059 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.388 4.487 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.591 2.330 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.802 3.555 4.862 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.852 5.242 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.262 4.421 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.052 3.604 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.878 2.767 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.477 5.221 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.203 3.610 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.894 5.016 3.032 1.00 0.00 H new ATOM 962 N THR A 89 -6.116 2.943 7.781 1.00 0.00 N ATOM 963 CA THR A 89 -6.887 2.091 8.670 1.00 0.00 C ATOM 964 C THR A 89 -8.378 2.149 8.342 1.00 0.00 C ATOM 965 O THR A 89 -8.925 3.222 8.080 1.00 0.00 O ATOM 966 CB THR A 89 -6.662 2.491 10.144 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.256 2.572 10.416 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.299 1.484 11.090 1.00 0.00 C ATOM 0 H THR A 89 -6.489 3.884 7.658 1.00 0.00 H new ATOM 0 HA THR A 89 -6.540 1.068 8.522 1.00 0.00 H new ATOM 0 HB THR A 89 -7.129 3.463 10.305 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.118 2.828 11.352 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.124 1.792 12.121 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.372 1.437 10.902 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.858 0.501 10.925 1.00 0.00 H new ATOM 976 N GLY A 90 -9.013 0.975 8.363 1.00 0.00 N ATOM 977 CA GLY A 90 -10.453 0.868 8.158 1.00 0.00 C ATOM 978 C GLY A 90 -10.957 1.610 6.938 1.00 0.00 C ATOM 979 O GLY A 90 -11.945 2.341 7.016 1.00 0.00 O ATOM 0 H GLY A 90 -8.546 0.082 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.720 -0.185 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.965 1.251 9.041 1.00 0.00 H new ATOM 983 N GLN A 91 -10.283 1.434 5.816 1.00 0.00 N ATOM 984 CA GLN A 91 -10.636 2.161 4.606 1.00 0.00 C ATOM 985 C GLN A 91 -11.890 1.556 3.970 1.00 0.00 C ATOM 986 O GLN A 91 -11.910 0.379 3.633 1.00 0.00 O ATOM 987 CB GLN A 91 -9.440 2.119 3.644 1.00 0.00 C ATOM 988 CG GLN A 91 -9.600 2.924 2.366 1.00 0.00 C ATOM 989 CD GLN A 91 -10.096 4.330 2.620 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.322 5.237 2.914 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.392 4.522 2.478 1.00 0.00 N ATOM 0 H GLN A 91 -9.492 0.798 5.715 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.864 3.200 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.558 2.481 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.247 1.080 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -8.642 2.969 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -10.297 2.411 1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -12.000 3.740 2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.788 5.452 2.613 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.916 2.390 3.780 1.00 0.00 N ATOM 1001 CA GLU A 92 -14.212 1.954 3.247 1.00 0.00 C ATOM 1002 C GLU A 92 -14.708 0.672 3.924 1.00 0.00 C ATOM 1003 O GLU A 92 -14.876 0.622 5.144 1.00 0.00 O ATOM 1004 CB GLU A 92 -14.158 1.747 1.729 1.00 0.00 C ATOM 1005 CG GLU A 92 -14.144 3.028 0.918 1.00 0.00 C ATOM 1006 CD GLU A 92 -14.377 2.767 -0.555 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -13.421 2.879 -1.341 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -15.526 2.434 -0.931 1.00 0.00 O ATOM 0 H GLU A 92 -12.873 3.387 3.991 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.918 2.755 3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.267 1.169 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.018 1.150 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.913 3.703 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.186 3.531 1.050 1.00 0.00 H new ATOM 1015 N SER A 93 -14.927 -0.362 3.115 1.00 0.00 N ATOM 1016 CA SER A 93 -15.445 -1.636 3.588 1.00 0.00 C ATOM 1017 C SER A 93 -14.373 -2.419 4.339 1.00 0.00 C ATOM 1018 O SER A 93 -14.671 -3.397 5.023 1.00 0.00 O ATOM 1019 CB SER A 93 -15.961 -2.455 2.404 1.00 0.00 C ATOM 1020 OG SER A 93 -16.609 -3.639 2.835 1.00 0.00 O ATOM 0 H SER A 93 -14.749 -0.336 2.111 1.00 0.00 H new ATOM 0 HA SER A 93 -16.265 -1.439 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.655 -1.852 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.129 -2.712 1.748 1.00 0.00 H new ATOM 0 HG SER A 93 -16.202 -3.949 3.671 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.130 -1.981 4.211 1.00 0.00 N ATOM 1027 CA LEU A 94 -11.995 -2.670 4.808 1.00 0.00 C ATOM 1028 C LEU A 94 -11.857 -2.287 6.279 1.00 0.00 C ATOM 1029 O LEU A 94 -10.757 -2.060 6.778 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.710 -2.341 4.042 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.763 -2.601 2.531 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.436 -2.238 1.883 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.120 -4.052 2.238 1.00 0.00 C ATOM 0 H LEU A 94 -12.879 -1.140 3.692 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.166 -3.745 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.468 -1.291 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.894 -2.926 4.466 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.543 -1.969 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.490 -2.428 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.224 -1.182 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.641 -2.843 2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.151 -4.209 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.369 -4.708 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.096 -4.280 2.666 1.00 0.00 H new ATOM 1045 N ASN A 95 -12.995 -2.153 6.945 1.00 0.00 N ATOM 1046 CA ASN A 95 -13.035 -1.879 8.377 1.00 0.00 C ATOM 1047 C ASN A 95 -12.242 -2.933 9.144 1.00 0.00 C ATOM 1048 O ASN A 95 -12.424 -4.135 8.936 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.483 -1.857 8.871 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.594 -1.418 10.321 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -14.541 -2.236 11.239 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -14.753 -0.122 10.534 1.00 0.00 N ATOM 0 H ASN A 95 -13.915 -2.231 6.511 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.584 -0.903 8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.067 -1.183 8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.917 -2.851 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -14.837 0.232 11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -14.792 0.523 9.745 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.364 -2.474 10.026 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.502 -3.378 10.762 1.00 0.00 C ATOM 1061 C GLY A 96 -9.209 -3.668 10.026 1.00 0.00 C ATOM 1062 O GLY A 96 -8.253 -4.182 10.608 1.00 0.00 O ATOM 0 H GLY A 96 -11.233 -1.487 10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.274 -2.946 11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.031 -4.313 10.944 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.184 -3.337 8.747 1.00 0.00 N ATOM 1067 CA LEU A 97 -8.036 -3.612 7.905 1.00 0.00 C ATOM 1068 C LEU A 97 -7.106 -2.408 7.875 1.00 0.00 C ATOM 1069 O LEU A 97 -7.538 -1.275 7.666 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.521 -3.969 6.495 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.466 -4.480 5.506 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.135 -5.290 4.409 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.702 -3.325 4.883 1.00 0.00 C ATOM 0 H LEU A 97 -9.955 -2.873 8.266 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.476 -4.455 8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.297 -4.729 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.990 -3.085 6.064 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.764 -5.109 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.380 -5.650 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.655 -6.140 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.851 -4.662 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.960 -3.714 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.396 -2.675 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.201 -2.756 5.666 1.00 0.00 H new ATOM 1085 N SER A 98 -5.833 -2.662 8.102 1.00 0.00 N ATOM 1086 CA SER A 98 -4.820 -1.633 8.024 1.00 0.00 C ATOM 1087 C SER A 98 -3.904 -1.905 6.835 1.00 0.00 C ATOM 1088 O SER A 98 -3.392 -3.013 6.678 1.00 0.00 O ATOM 1089 CB SER A 98 -4.020 -1.585 9.330 1.00 0.00 C ATOM 1090 OG SER A 98 -3.110 -0.496 9.346 1.00 0.00 O ATOM 0 H SER A 98 -5.474 -3.585 8.345 1.00 0.00 H new ATOM 0 HA SER A 98 -5.297 -0.663 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.705 -1.500 10.174 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.473 -2.519 9.457 1.00 0.00 H new ATOM 0 HG SER A 98 -3.416 0.195 8.722 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.723 -0.900 5.995 1.00 0.00 N ATOM 1097 CA VAL A 99 -2.858 -1.022 4.830 1.00 0.00 C ATOM 1098 C VAL A 99 -1.532 -0.345 5.120 1.00 0.00 C ATOM 1099 O VAL A 99 -1.509 0.802 5.567 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.478 -0.370 3.573 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.635 -0.656 2.337 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -4.908 -0.836 3.360 1.00 0.00 C ATOM 0 H VAL A 99 -4.165 0.014 6.097 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.723 -2.085 4.631 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.493 0.708 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.094 -0.186 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.632 -0.254 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.575 -1.733 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.317 -0.360 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.923 -1.918 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.512 -0.564 4.226 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.435 -1.045 4.882 1.00 0.00 N ATOM 1113 CA VAL A 100 0.884 -0.481 5.111 1.00 0.00 C ATOM 1114 C VAL A 100 1.706 -0.562 3.833 1.00 0.00 C ATOM 1115 O VAL A 100 2.147 -1.642 3.432 1.00 0.00 O ATOM 1116 CB VAL A 100 1.632 -1.212 6.247 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.956 -0.524 6.550 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.771 -1.291 7.498 1.00 0.00 C ATOM 0 H VAL A 100 -0.432 -2.003 4.531 1.00 0.00 H new ATOM 0 HA VAL A 100 0.751 0.559 5.409 1.00 0.00 H new ATOM 0 HB VAL A 100 1.843 -2.228 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.467 -1.055 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.581 -0.529 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.769 0.505 6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.319 -1.810 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.522 -0.284 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.146 -1.836 7.275 1.00 0.00 H new ATOM 1128 N MET A 101 1.875 0.574 3.176 1.00 0.00 N ATOM 1129 CA MET A 101 2.647 0.619 1.943 1.00 0.00 C ATOM 1130 C MET A 101 4.053 1.133 2.212 1.00 0.00 C ATOM 1131 O MET A 101 4.239 2.290 2.587 1.00 0.00 O ATOM 1132 CB MET A 101 1.970 1.493 0.883 1.00 0.00 C ATOM 1133 CG MET A 101 2.617 1.371 -0.489 1.00 0.00 C ATOM 1134 SD MET A 101 1.959 2.541 -1.694 1.00 0.00 S ATOM 1135 CE MET A 101 2.629 4.080 -1.063 1.00 0.00 C ATOM 0 H MET A 101 1.492 1.472 3.472 1.00 0.00 H new ATOM 0 HA MET A 101 2.703 -0.399 1.558 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.918 1.216 0.809 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.003 2.534 1.203 1.00 0.00 H new ATOM 0 HG2 MET A 101 3.692 1.526 -0.392 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.474 0.357 -0.862 1.00 0.00 H new ATOM 0 HE1 MET A 101 1.812 4.758 -0.815 1.00 0.00 H new ATOM 0 HE2 MET A 101 3.219 3.880 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 101 3.264 4.538 -1.821 1.00 0.00 H new ATOM 1145 N THR A 102 5.031 0.261 2.028 1.00 0.00 N ATOM 1146 CA THR A 102 6.432 0.611 2.211 1.00 0.00 C ATOM 1147 C THR A 102 7.133 0.715 0.852 1.00 0.00 C ATOM 1148 O THR A 102 7.458 -0.301 0.238 1.00 0.00 O ATOM 1149 CB THR A 102 7.148 -0.443 3.085 1.00 0.00 C ATOM 1150 OG1 THR A 102 6.428 -0.631 4.312 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.582 -0.027 3.390 1.00 0.00 C ATOM 0 H THR A 102 4.878 -0.708 1.748 1.00 0.00 H new ATOM 0 HA THR A 102 6.479 1.576 2.715 1.00 0.00 H new ATOM 0 HB THR A 102 7.175 -1.380 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.886 -1.301 4.861 1.00 0.00 H new ATOM 0 HG21 THR A 102 9.059 -0.789 4.006 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.135 0.083 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.579 0.923 3.925 1.00 0.00 H new ATOM 1159 N PRO A 103 7.336 1.942 0.348 1.00 0.00 N ATOM 1160 CA PRO A 103 8.032 2.175 -0.922 1.00 0.00 C ATOM 1161 C PRO A 103 9.520 1.843 -0.836 1.00 0.00 C ATOM 1162 O PRO A 103 10.100 1.804 0.252 1.00 0.00 O ATOM 1163 CB PRO A 103 7.830 3.677 -1.187 1.00 0.00 C ATOM 1164 CG PRO A 103 6.778 4.117 -0.221 1.00 0.00 C ATOM 1165 CD PRO A 103 6.893 3.198 0.960 1.00 0.00 C ATOM 0 HA PRO A 103 7.641 1.539 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.757 4.230 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.517 3.855 -2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.930 5.155 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 103 5.786 4.055 -0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 103 7.611 3.567 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.941 3.083 1.478 1.00 0.00 H new ATOM 1173 N GLY A 104 10.126 1.595 -1.986 1.00 0.00 N ATOM 1174 CA GLY A 104 11.526 1.245 -2.038 1.00 0.00 C ATOM 1175 C GLY A 104 11.715 -0.168 -2.532 1.00 0.00 C ATOM 1176 O GLY A 104 11.033 -1.083 -2.067 1.00 0.00 O ATOM 0 H GLY A 104 9.664 1.631 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.053 1.937 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.967 1.349 -1.047 1.00 0.00 H new ATOM 1291 N GLY A 113 8.611 -1.597 -6.432 1.00 0.00 N ATOM 1292 CA GLY A 113 8.584 -0.214 -6.001 1.00 0.00 C ATOM 1293 C GLY A 113 7.875 -0.011 -4.678 1.00 0.00 C ATOM 1294 O GLY A 113 8.350 0.734 -3.828 1.00 0.00 O ATOM 0 HA2 GLY A 113 9.607 0.153 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.092 0.388 -6.765 1.00 0.00 H new ATOM 1298 N TRP A 114 6.733 -0.658 -4.500 1.00 0.00 N ATOM 1299 CA TRP A 114 5.964 -0.499 -3.274 1.00 0.00 C ATOM 1300 C TRP A 114 5.660 -1.851 -2.643 1.00 0.00 C ATOM 1301 O TRP A 114 5.167 -2.759 -3.313 1.00 0.00 O ATOM 1302 CB TRP A 114 4.644 0.236 -3.543 1.00 0.00 C ATOM 1303 CG TRP A 114 4.811 1.604 -4.133 1.00 0.00 C ATOM 1304 CD1 TRP A 114 5.224 2.732 -3.486 1.00 0.00 C ATOM 1305 CD2 TRP A 114 4.541 1.993 -5.486 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.255 3.793 -4.359 1.00 0.00 N ATOM 1307 CE2 TRP A 114 4.836 3.366 -5.590 1.00 0.00 C ATOM 1308 CE3 TRP A 114 4.088 1.314 -6.618 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 4.691 4.068 -6.782 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 3.943 2.014 -7.801 1.00 0.00 C ATOM 1311 CH2 TRP A 114 4.243 3.380 -7.873 1.00 0.00 C ATOM 0 H TRP A 114 6.320 -1.293 -5.183 1.00 0.00 H new ATOM 0 HA TRP A 114 6.570 0.092 -2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.037 -0.367 -4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.091 0.321 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.488 2.784 -2.440 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.543 4.744 -4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 114 3.855 0.261 -6.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.925 5.121 -6.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 3.593 1.499 -8.684 1.00 0.00 H new ATOM 0 HH2 TRP A 114 4.117 3.900 -8.811 1.00 0.00 H new ATOM 1322 N ALA A 115 5.960 -1.986 -1.363 1.00 0.00 N ATOM 1323 CA ALA A 115 5.537 -3.153 -0.614 1.00 0.00 C ATOM 1324 C ALA A 115 4.174 -2.882 -0.004 1.00 0.00 C ATOM 1325 O ALA A 115 4.021 -1.983 0.819 1.00 0.00 O ATOM 1326 CB ALA A 115 6.545 -3.502 0.469 1.00 0.00 C ATOM 0 H ALA A 115 6.493 -1.304 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 115 5.473 -4.006 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.203 -4.381 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.512 -3.713 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.644 -2.663 1.158 1.00 0.00 H new ATOM 1332 N ARG A 116 3.183 -3.642 -0.424 1.00 0.00 N ATOM 1333 CA ARG A 116 1.823 -3.419 0.035 1.00 0.00 C ATOM 1334 C ARG A 116 1.397 -4.533 0.976 1.00 0.00 C ATOM 1335 O ARG A 116 1.453 -5.709 0.619 1.00 0.00 O ATOM 1336 CB ARG A 116 0.838 -3.331 -1.135 1.00 0.00 C ATOM 1337 CG ARG A 116 1.082 -2.178 -2.104 1.00 0.00 C ATOM 1338 CD ARG A 116 2.089 -2.533 -3.195 1.00 0.00 C ATOM 1339 NE ARG A 116 1.675 -2.016 -4.505 1.00 0.00 N ATOM 1340 CZ ARG A 116 2.453 -1.986 -5.592 1.00 0.00 C ATOM 1341 NH1 ARG A 116 3.703 -2.419 -5.536 1.00 0.00 N ATOM 1342 NH2 ARG A 116 1.975 -1.520 -6.738 1.00 0.00 N ATOM 0 H ARG A 116 3.291 -4.416 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 116 1.808 -2.466 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 116 0.876 -4.267 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -0.171 -3.240 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.138 -1.890 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 116 1.443 -1.312 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 116 3.066 -2.125 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 116 2.200 -3.616 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 116 0.726 -1.654 -4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.079 -2.779 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.290 -2.393 -6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 116 1.013 -1.184 -6.791 1.00 0.00 H new ATOM 0 HH22 ARG A 116 2.569 -1.497 -7.567 1.00 0.00 H new ATOM 1356 N ASN A 117 0.981 -4.153 2.172 1.00 0.00 N ATOM 1357 CA ASN A 117 0.557 -5.112 3.179 1.00 0.00 C ATOM 1358 C ASN A 117 -0.826 -4.745 3.692 1.00 0.00 C ATOM 1359 O ASN A 117 -1.066 -3.595 4.063 1.00 0.00 O ATOM 1360 CB ASN A 117 1.543 -5.140 4.354 1.00 0.00 C ATOM 1361 CG ASN A 117 2.954 -5.524 3.942 1.00 0.00 C ATOM 1362 OD1 ASN A 117 3.298 -6.708 3.881 1.00 0.00 O ATOM 1363 ND2 ASN A 117 3.786 -4.528 3.673 1.00 0.00 N ATOM 0 H ASN A 117 0.928 -3.179 2.471 1.00 0.00 H new ATOM 0 HA ASN A 117 0.530 -6.100 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.564 -4.158 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.185 -5.846 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.750 -4.727 3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.463 -3.563 3.735 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.735 -5.705 3.695 1.00 0.00 N ATOM 1371 CA CYS A 118 -3.079 -5.475 4.201 1.00 0.00 C ATOM 1372 C CYS A 118 -3.348 -6.363 5.411 1.00 0.00 C ATOM 1373 O CYS A 118 -3.366 -7.589 5.300 1.00 0.00 O ATOM 1374 CB CYS A 118 -4.109 -5.744 3.101 1.00 0.00 C ATOM 1375 SG CYS A 118 -3.903 -4.696 1.622 1.00 0.00 S ATOM 0 H CYS A 118 -1.568 -6.651 3.353 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.164 -4.434 4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -4.044 -6.791 2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -5.109 -5.589 3.507 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.559 -5.740 6.563 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.747 -6.475 7.810 1.00 0.00 C ATOM 1382 C ASN A 119 -5.181 -6.367 8.304 1.00 0.00 C ATOM 1383 O ASN A 119 -5.601 -5.318 8.786 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.793 -5.953 8.886 1.00 0.00 C ATOM 1385 CG ASN A 119 -1.336 -6.172 8.530 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -0.692 -5.312 7.931 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -0.806 -7.329 8.893 1.00 0.00 N ATOM 0 H ASN A 119 -3.605 -4.726 6.661 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.529 -7.524 7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.970 -4.888 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -3.011 -6.450 9.831 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.170 -7.533 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.373 -8.017 9.389 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.925 -7.452 8.170 1.00 0.00 N ATOM 1395 CA ILE A 120 -7.306 -7.509 8.625 1.00 0.00 C ATOM 1396 C ILE A 120 -7.562 -8.822 9.375 1.00 0.00 C ATOM 1397 O ILE A 120 -7.625 -9.897 8.773 1.00 0.00 O ATOM 1398 CB ILE A 120 -8.276 -7.351 7.430 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.726 -7.646 7.820 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.847 -8.242 6.278 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -10.300 -6.708 8.858 1.00 0.00 C ATOM 0 H ILE A 120 -5.591 -8.317 7.744 1.00 0.00 H new ATOM 0 HA ILE A 120 -7.485 -6.683 9.313 1.00 0.00 H new ATOM 0 HB ILE A 120 -8.231 -6.309 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.346 -7.600 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.787 -8.667 8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.540 -8.119 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.842 -7.965 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.850 -9.283 6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -11.330 -6.991 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -9.708 -6.770 9.771 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -10.276 -5.687 8.478 1.00 0.00 H new ATOM 1413 N GLN A 121 -7.694 -8.737 10.695 1.00 0.00 N ATOM 1414 CA GLN A 121 -7.781 -9.931 11.534 1.00 0.00 C ATOM 1415 C GLN A 121 -9.131 -10.636 11.418 1.00 0.00 C ATOM 1416 O GLN A 121 -9.193 -11.864 11.389 1.00 0.00 O ATOM 1417 CB GLN A 121 -7.518 -9.578 12.999 1.00 0.00 C ATOM 1418 CG GLN A 121 -6.163 -8.939 13.243 1.00 0.00 C ATOM 1419 CD GLN A 121 -5.924 -8.645 14.709 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -6.264 -7.571 15.200 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -5.343 -9.599 15.419 1.00 0.00 N ATOM 0 H GLN A 121 -7.743 -7.856 11.208 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.016 -10.618 11.173 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -8.297 -8.898 13.344 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -7.595 -10.484 13.601 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -5.379 -9.601 12.875 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.092 -8.013 12.672 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.076 -10.476 14.972 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.162 -9.457 16.413 1.00 0.00 H new ATOM 1430 N SER A 122 -10.212 -9.868 11.340 1.00 0.00 N ATOM 1431 CA SER A 122 -11.554 -10.441 11.427 1.00 0.00 C ATOM 1432 C SER A 122 -12.080 -10.911 10.070 1.00 0.00 C ATOM 1433 O SER A 122 -13.010 -11.712 10.005 1.00 0.00 O ATOM 1434 CB SER A 122 -12.511 -9.408 12.024 1.00 0.00 C ATOM 1435 OG SER A 122 -11.981 -8.862 13.223 1.00 0.00 O ATOM 0 H SER A 122 -10.189 -8.856 11.218 1.00 0.00 H new ATOM 0 HA SER A 122 -11.494 -11.319 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 122 -12.688 -8.610 11.303 1.00 0.00 H new ATOM 0 HB3 SER A 122 -13.475 -9.874 12.227 1.00 0.00 H new ATOM 0 HG SER A 122 -12.608 -8.203 13.587 1.00 0.00 H new ATOM 1441 N ASP A 123 -11.480 -10.434 8.993 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.987 -10.717 7.655 1.00 0.00 C ATOM 1443 C ASP A 123 -10.846 -10.987 6.685 1.00 0.00 C ATOM 1444 O ASP A 123 -10.427 -10.096 5.947 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.835 -9.553 7.129 1.00 0.00 C ATOM 1446 CG ASP A 123 -14.169 -9.406 7.832 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -14.271 -8.580 8.763 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -15.128 -10.107 7.443 1.00 0.00 O ATOM 0 H ASP A 123 -10.644 -9.850 9.015 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.612 -11.607 7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -12.272 -8.626 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.010 -9.695 6.063 1.00 0.00 H new ATOM 1453 N SER A 124 -10.362 -12.220 6.674 1.00 0.00 N ATOM 1454 CA SER A 124 -9.244 -12.606 5.821 1.00 0.00 C ATOM 1455 C SER A 124 -9.557 -12.379 4.335 1.00 0.00 C ATOM 1456 O SER A 124 -8.657 -12.131 3.532 1.00 0.00 O ATOM 1457 CB SER A 124 -8.900 -14.073 6.075 1.00 0.00 C ATOM 1458 OG SER A 124 -8.835 -14.335 7.469 1.00 0.00 O ATOM 0 H SER A 124 -10.729 -12.977 7.251 1.00 0.00 H new ATOM 0 HA SER A 124 -8.389 -11.978 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.651 -14.714 5.613 1.00 0.00 H new ATOM 0 HB3 SER A 124 -7.945 -14.315 5.609 1.00 0.00 H new ATOM 0 HG SER A 124 -8.615 -15.279 7.615 1.00 0.00 H new ATOM 1464 N ALA A 125 -10.839 -12.448 3.981 1.00 0.00 N ATOM 1465 CA ALA A 125 -11.272 -12.228 2.604 1.00 0.00 C ATOM 1466 C ALA A 125 -10.983 -10.800 2.152 1.00 0.00 C ATOM 1467 O ALA A 125 -10.692 -10.555 0.981 1.00 0.00 O ATOM 1468 CB ALA A 125 -12.752 -12.530 2.460 1.00 0.00 C ATOM 0 H ALA A 125 -11.597 -12.655 4.631 1.00 0.00 H new ATOM 0 HA ALA A 125 -10.706 -12.906 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -13.059 -12.361 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -12.939 -13.570 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -13.323 -11.876 3.120 1.00 0.00 H new ATOM 1474 N LEU A 126 -11.053 -9.856 3.084 1.00 0.00 N ATOM 1475 CA LEU A 126 -10.777 -8.465 2.766 1.00 0.00 C ATOM 1476 C LEU A 126 -9.297 -8.278 2.482 1.00 0.00 C ATOM 1477 O LEU A 126 -8.913 -7.420 1.691 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.221 -7.541 3.900 1.00 0.00 C ATOM 1479 CG LEU A 126 -12.730 -7.494 4.149 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -13.056 -6.529 5.276 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.477 -7.101 2.881 1.00 0.00 C ATOM 0 H LEU A 126 -11.297 -10.029 4.059 1.00 0.00 H new ATOM 0 HA LEU A 126 -11.346 -8.201 1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.727 -7.857 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.873 -6.531 3.682 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.055 -8.492 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.134 -6.509 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.558 -6.854 6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.711 -5.530 5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.548 -7.074 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.145 -6.116 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.274 -7.831 2.098 1.00 0.00 H new ATOM 1493 N GLN A 127 -8.468 -9.090 3.128 1.00 0.00 N ATOM 1494 CA GLN A 127 -7.037 -9.090 2.854 1.00 0.00 C ATOM 1495 C GLN A 127 -6.793 -9.513 1.418 1.00 0.00 C ATOM 1496 O GLN A 127 -5.990 -8.911 0.710 1.00 0.00 O ATOM 1497 CB GLN A 127 -6.295 -10.035 3.802 1.00 0.00 C ATOM 1498 CG GLN A 127 -4.822 -10.198 3.461 1.00 0.00 C ATOM 1499 CD GLN A 127 -4.105 -11.155 4.391 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -3.563 -10.752 5.418 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -4.096 -12.426 4.038 1.00 0.00 N ATOM 0 H GLN A 127 -8.762 -9.755 3.843 1.00 0.00 H new ATOM 0 HA GLN A 127 -6.658 -8.080 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -6.385 -9.660 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.776 -11.013 3.779 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -4.729 -10.557 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -4.334 -9.224 3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -4.558 -12.720 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.627 -13.115 4.626 1.00 0.00 H new ATOM 1510 N GLN A 128 -7.519 -10.541 1.000 1.00 0.00 N ATOM 1511 CA GLN A 128 -7.412 -11.066 -0.351 1.00 0.00 C ATOM 1512 C GLN A 128 -7.701 -9.973 -1.367 1.00 0.00 C ATOM 1513 O GLN A 128 -6.948 -9.784 -2.318 1.00 0.00 O ATOM 1514 CB GLN A 128 -8.390 -12.226 -0.549 1.00 0.00 C ATOM 1515 CG GLN A 128 -8.168 -13.385 0.406 1.00 0.00 C ATOM 1516 CD GLN A 128 -9.216 -14.470 0.257 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -10.363 -14.203 -0.112 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -8.832 -15.702 0.543 1.00 0.00 N ATOM 0 H GLN A 128 -8.195 -11.031 1.586 1.00 0.00 H new ATOM 0 HA GLN A 128 -6.395 -11.429 -0.499 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -9.408 -11.856 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -8.305 -12.590 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.181 -13.812 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -8.177 -13.014 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.874 -15.881 0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -9.493 -16.474 0.462 1.00 0.00 H new ATOM 1527 N ALA A 129 -8.788 -9.246 -1.139 1.00 0.00 N ATOM 1528 CA ALA A 129 -9.196 -8.173 -2.034 1.00 0.00 C ATOM 1529 C ALA A 129 -8.226 -7.001 -1.965 1.00 0.00 C ATOM 1530 O ALA A 129 -7.794 -6.481 -2.993 1.00 0.00 O ATOM 1531 CB ALA A 129 -10.607 -7.714 -1.696 1.00 0.00 C ATOM 0 H ALA A 129 -9.405 -9.382 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 129 -9.184 -8.559 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.900 -6.911 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -11.297 -8.550 -1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.635 -7.351 -0.669 1.00 0.00 H new ATOM 1537 N CYS A 130 -7.876 -6.604 -0.748 1.00 0.00 N ATOM 1538 CA CYS A 130 -6.988 -5.467 -0.531 1.00 0.00 C ATOM 1539 C CYS A 130 -5.624 -5.711 -1.163 1.00 0.00 C ATOM 1540 O CYS A 130 -5.136 -4.893 -1.944 1.00 0.00 O ATOM 1541 CB CYS A 130 -6.834 -5.197 0.967 1.00 0.00 C ATOM 1542 SG CYS A 130 -5.719 -3.815 1.375 1.00 0.00 S ATOM 0 H CYS A 130 -8.195 -7.055 0.109 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.432 -4.593 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -7.818 -4.990 1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -6.463 -6.101 1.450 1.00 0.00 H new ATOM 1547 N GLU A 131 -5.023 -6.852 -0.846 1.00 0.00 N ATOM 1548 CA GLU A 131 -3.698 -7.181 -1.343 1.00 0.00 C ATOM 1549 C GLU A 131 -3.730 -7.369 -2.857 1.00 0.00 C ATOM 1550 O GLU A 131 -2.758 -7.080 -3.551 1.00 0.00 O ATOM 1551 CB GLU A 131 -3.181 -8.451 -0.662 1.00 0.00 C ATOM 1552 CG GLU A 131 -1.721 -8.761 -0.958 1.00 0.00 C ATOM 1553 CD GLU A 131 -1.283 -10.093 -0.390 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -1.434 -11.116 -1.087 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -0.779 -10.125 0.754 1.00 0.00 O ATOM 0 H GLU A 131 -5.436 -7.565 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 131 -3.023 -6.357 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.309 -8.351 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.793 -9.296 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -1.565 -8.761 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -1.094 -7.970 -0.545 1.00 0.00 H new ATOM 1562 N ASP A 132 -4.860 -7.845 -3.364 1.00 0.00 N ATOM 1563 CA ASP A 132 -5.007 -8.092 -4.792 1.00 0.00 C ATOM 1564 C ASP A 132 -5.053 -6.780 -5.560 1.00 0.00 C ATOM 1565 O ASP A 132 -4.460 -6.654 -6.629 1.00 0.00 O ATOM 1566 CB ASP A 132 -6.276 -8.899 -5.076 1.00 0.00 C ATOM 1567 CG ASP A 132 -6.121 -9.827 -6.265 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -5.622 -10.957 -6.071 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -6.506 -9.446 -7.390 1.00 0.00 O ATOM 0 H ASP A 132 -5.686 -8.067 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 132 -4.142 -8.668 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -6.535 -9.484 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.104 -8.215 -5.259 1.00 0.00 H new ATOM 1574 N VAL A 133 -5.762 -5.802 -5.010 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.917 -4.514 -5.668 1.00 0.00 C ATOM 1576 C VAL A 133 -4.729 -3.592 -5.409 1.00 0.00 C ATOM 1577 O VAL A 133 -4.183 -2.998 -6.338 1.00 0.00 O ATOM 1578 CB VAL A 133 -7.211 -3.803 -5.223 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -7.303 -2.417 -5.838 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.427 -4.630 -5.599 1.00 0.00 C ATOM 0 H VAL A 133 -6.238 -5.878 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.971 -4.725 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 133 -7.185 -3.695 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -8.224 -1.934 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.448 -1.821 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -7.304 -2.501 -6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -9.332 -4.114 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.453 -4.769 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.371 -5.602 -5.110 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.320 -3.466 -4.155 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.304 -2.486 -3.806 1.00 0.00 C ATOM 1592 C PHE A 134 -1.906 -2.947 -4.185 1.00 0.00 C ATOM 1593 O PHE A 134 -1.008 -2.119 -4.344 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.360 -2.138 -2.315 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.457 -1.169 -1.970 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.761 -1.605 -1.801 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -4.183 0.184 -1.828 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -6.772 -0.712 -1.498 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -5.190 1.079 -1.521 1.00 0.00 C ATOM 1600 CZ PHE A 134 -6.486 0.631 -1.356 1.00 0.00 C ATOM 0 H PHE A 134 -4.670 -4.021 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 134 -3.525 -1.589 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -3.500 -3.054 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.402 -1.715 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -5.991 -2.655 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -3.172 0.541 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -7.785 -1.065 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -4.964 2.129 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 134 -7.274 1.330 -1.116 1.00 0.00 H new ATOM 1610 N ARG A 135 -1.717 -4.247 -4.362 1.00 0.00 N ATOM 1611 CA ARG A 135 -0.413 -4.758 -4.737 1.00 0.00 C ATOM 1612 C ARG A 135 -0.411 -5.259 -6.171 1.00 0.00 C ATOM 1613 O ARG A 135 -1.040 -6.268 -6.488 1.00 0.00 O ATOM 1614 CB ARG A 135 0.014 -5.890 -3.798 1.00 0.00 C ATOM 1615 CG ARG A 135 1.381 -6.477 -4.127 1.00 0.00 C ATOM 1616 CD ARG A 135 1.755 -7.608 -3.181 1.00 0.00 C ATOM 1617 NE ARG A 135 3.086 -8.145 -3.466 1.00 0.00 N ATOM 1618 CZ ARG A 135 3.714 -9.025 -2.685 1.00 0.00 C ATOM 1619 NH1 ARG A 135 3.131 -9.478 -1.580 1.00 0.00 N ATOM 1620 NH2 ARG A 135 4.924 -9.460 -3.008 1.00 0.00 N ATOM 0 H ARG A 135 -2.442 -4.956 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 135 0.298 -3.936 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 135 0.026 -5.516 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -0.732 -6.684 -3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.380 -6.847 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 135 2.136 -5.693 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 135 1.723 -7.246 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 135 1.017 -8.406 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 135 3.561 -7.828 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 135 2.198 -9.153 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 135 3.616 -10.151 -0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 135 5.378 -9.122 -3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.401 -10.133 -2.408 1.00 0.00 H new