USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -58:sc= 1.14 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 42 GLN : amide:sc= -0.17 K(o=-0.17,f=-1.3) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -18:sc= 0.848 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 89:sc= 0.0114 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -40:sc= 0.018 USER MOD Single : A 75 SER OG : rot 163:sc= 0.57 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0392 USER MOD Single : A 84 ASN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 86:sc= 0.071 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -48:sc= 0.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 6.106 -13.506 -4.439 1.00 0.00 N ATOM 2 CA GLY A 31 4.835 -14.194 -4.724 1.00 0.00 C ATOM 3 C GLY A 31 4.817 -14.759 -6.130 1.00 0.00 C ATOM 4 O GLY A 31 4.256 -14.124 -7.011 1.00 0.00 O ATOM 0 HA2 GLY A 31 4.686 -14.999 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.006 -13.497 -4.599 1.00 0.00 H new ATOM 8 N ASN A 32 5.446 -15.918 -6.349 1.00 0.00 N ATOM 9 CA ASN A 32 5.456 -16.631 -7.629 1.00 0.00 C ATOM 10 C ASN A 32 5.637 -18.134 -7.379 1.00 0.00 C ATOM 11 O ASN A 32 6.430 -18.521 -6.521 1.00 0.00 O ATOM 12 CB ASN A 32 6.589 -16.094 -8.526 1.00 0.00 C ATOM 13 CG ASN A 32 6.110 -14.964 -9.423 1.00 0.00 C ATOM 14 OD1 ASN A 32 5.305 -15.176 -10.312 1.00 0.00 O ATOM 15 ND2 ASN A 32 6.601 -13.753 -9.250 1.00 0.00 N ATOM 0 H ASN A 32 5.976 -16.398 -5.622 1.00 0.00 H new ATOM 0 HA ASN A 32 4.507 -16.469 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.410 -15.740 -7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.982 -16.904 -9.140 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.307 -12.991 -9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.275 -13.578 -8.505 1.00 0.00 H new ATOM 22 N GLY A 33 4.909 -18.955 -8.142 1.00 0.00 N ATOM 23 CA GLY A 33 4.920 -20.415 -8.073 1.00 0.00 C ATOM 24 C GLY A 33 3.512 -21.013 -8.174 1.00 0.00 C ATOM 25 O GLY A 33 2.507 -20.297 -8.185 1.00 0.00 O ATOM 0 H GLY A 33 4.269 -18.603 -8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.539 -20.810 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.379 -20.729 -7.136 1.00 0.00 H new ATOM 29 N SER A 34 3.456 -22.341 -8.252 1.00 0.00 N ATOM 30 CA SER A 34 2.242 -23.162 -8.280 1.00 0.00 C ATOM 31 C SER A 34 2.474 -24.450 -7.486 1.00 0.00 C ATOM 32 O SER A 34 3.616 -24.751 -7.143 1.00 0.00 O ATOM 33 CB SER A 34 1.864 -23.481 -9.732 1.00 0.00 C ATOM 34 OG SER A 34 2.909 -24.177 -10.388 1.00 0.00 O ATOM 0 H SER A 34 4.303 -22.907 -8.300 1.00 0.00 H new ATOM 0 HA SER A 34 1.419 -22.613 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.954 -24.081 -9.751 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.647 -22.556 -10.266 1.00 0.00 H new ATOM 0 HG SER A 34 2.644 -24.371 -11.311 1.00 0.00 H new ATOM 40 N THR A 35 1.396 -25.196 -7.178 1.00 0.00 N ATOM 41 CA THR A 35 1.413 -26.446 -6.384 1.00 0.00 C ATOM 42 C THR A 35 2.283 -26.385 -5.110 1.00 0.00 C ATOM 43 O THR A 35 2.831 -27.404 -4.676 1.00 0.00 O ATOM 44 CB THR A 35 1.725 -27.674 -7.274 1.00 0.00 C ATOM 45 OG1 THR A 35 1.683 -28.836 -6.483 1.00 0.00 O ATOM 46 CG2 THR A 35 3.093 -27.639 -7.958 1.00 0.00 C ATOM 0 H THR A 35 0.457 -24.939 -7.484 1.00 0.00 H new ATOM 0 HA THR A 35 0.400 -26.568 -6.000 1.00 0.00 H new ATOM 0 HB THR A 35 0.970 -27.662 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.332 -28.758 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.222 -28.539 -8.559 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.156 -26.761 -8.601 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.877 -27.592 -7.202 1.00 0.00 H new ATOM 54 N ILE A 36 2.413 -25.194 -4.513 1.00 0.00 N ATOM 55 CA ILE A 36 3.263 -24.968 -3.347 1.00 0.00 C ATOM 56 C ILE A 36 2.664 -25.692 -2.129 1.00 0.00 C ATOM 57 O ILE A 36 1.467 -25.989 -2.088 1.00 0.00 O ATOM 58 CB ILE A 36 3.490 -23.455 -3.076 1.00 0.00 C ATOM 59 CG1 ILE A 36 3.568 -22.542 -4.328 1.00 0.00 C ATOM 60 CG2 ILE A 36 4.828 -23.284 -2.343 1.00 0.00 C ATOM 61 CD1 ILE A 36 2.215 -21.975 -4.776 1.00 0.00 C ATOM 0 H ILE A 36 1.926 -24.356 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 36 4.250 -25.385 -3.548 1.00 0.00 H new ATOM 0 HB ILE A 36 2.614 -23.146 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.245 -21.714 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.003 -23.109 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.002 -22.226 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.798 -23.829 -1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.635 -23.675 -2.963 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.357 -21.348 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.539 -22.795 -5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.786 -21.378 -3.971 1.00 0.00 H new ATOM 73 N THR A 37 3.504 -25.979 -1.134 1.00 0.00 N ATOM 74 CA THR A 37 3.131 -26.578 0.144 1.00 0.00 C ATOM 75 C THR A 37 2.054 -25.756 0.876 1.00 0.00 C ATOM 76 O THR A 37 1.773 -24.600 0.558 1.00 0.00 O ATOM 77 CB THR A 37 4.384 -26.766 1.036 1.00 0.00 C ATOM 78 OG1 THR A 37 5.597 -26.539 0.342 1.00 0.00 O ATOM 79 CG2 THR A 37 4.475 -28.194 1.575 1.00 0.00 C ATOM 0 H THR A 37 4.504 -25.792 -1.201 1.00 0.00 H new ATOM 0 HA THR A 37 2.697 -27.556 -0.065 1.00 0.00 H new ATOM 0 HB THR A 37 4.263 -26.035 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.352 -26.670 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.365 -28.292 2.197 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.590 -28.415 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.535 -28.894 0.742 1.00 0.00 H new ATOM 87 N PHE A 38 1.427 -26.370 1.885 1.00 0.00 N ATOM 88 CA PHE A 38 0.413 -25.705 2.709 1.00 0.00 C ATOM 89 C PHE A 38 1.013 -24.857 3.848 1.00 0.00 C ATOM 90 O PHE A 38 0.274 -24.103 4.475 1.00 0.00 O ATOM 91 CB PHE A 38 -0.577 -26.752 3.248 1.00 0.00 C ATOM 92 CG PHE A 38 -1.660 -27.151 2.257 1.00 0.00 C ATOM 93 CD1 PHE A 38 -1.373 -28.021 1.186 1.00 0.00 C ATOM 94 CD2 PHE A 38 -2.967 -26.647 2.407 1.00 0.00 C ATOM 95 CE1 PHE A 38 -2.382 -28.382 0.274 1.00 0.00 C ATOM 96 CE2 PHE A 38 -3.977 -27.010 1.497 1.00 0.00 C ATOM 97 CZ PHE A 38 -3.685 -27.877 0.429 1.00 0.00 C ATOM 0 H PHE A 38 1.607 -27.338 2.152 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.117 -24.998 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.022 -27.643 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.050 -26.359 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.374 -28.413 1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.195 -25.979 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.155 -29.048 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.978 -26.622 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.460 -28.154 -0.270 1.00 0.00 H new ATOM 107 N ASP A 39 2.325 -24.942 4.107 1.00 0.00 N ATOM 108 CA ASP A 39 3.025 -24.180 5.152 1.00 0.00 C ATOM 109 C ASP A 39 2.846 -22.667 4.963 1.00 0.00 C ATOM 110 O ASP A 39 2.270 -21.984 5.814 1.00 0.00 O ATOM 111 CB ASP A 39 4.516 -24.571 5.155 1.00 0.00 C ATOM 112 CG ASP A 39 5.351 -23.673 6.079 1.00 0.00 C ATOM 113 OD1 ASP A 39 4.943 -23.525 7.253 1.00 0.00 O ATOM 114 OD2 ASP A 39 6.379 -23.138 5.607 1.00 0.00 O ATOM 0 H ASP A 39 2.946 -25.558 3.582 1.00 0.00 H new ATOM 0 HA ASP A 39 2.589 -24.429 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.617 -25.609 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.908 -24.509 4.140 1.00 0.00 H new ATOM 119 N GLU A 40 3.290 -22.158 3.808 1.00 0.00 N ATOM 120 CA GLU A 40 3.127 -20.756 3.427 1.00 0.00 C ATOM 121 C GLU A 40 1.659 -20.324 3.502 1.00 0.00 C ATOM 122 O GLU A 40 1.379 -19.270 4.064 1.00 0.00 O ATOM 123 CB GLU A 40 3.736 -20.453 2.042 1.00 0.00 C ATOM 124 CG GLU A 40 3.516 -21.526 0.963 1.00 0.00 C ATOM 125 CD GLU A 40 4.611 -22.599 1.030 1.00 0.00 C ATOM 126 OE1 GLU A 40 5.694 -22.371 0.444 1.00 0.00 O ATOM 127 OE2 GLU A 40 4.370 -23.624 1.709 1.00 0.00 O ATOM 0 H GLU A 40 3.777 -22.716 3.107 1.00 0.00 H new ATOM 0 HA GLU A 40 3.684 -20.163 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.320 -19.512 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.809 -20.302 2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.538 -21.989 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.515 -21.062 -0.023 1.00 0.00 H new ATOM 134 N LEU A 41 0.721 -21.148 3.006 1.00 0.00 N ATOM 135 CA LEU A 41 -0.723 -20.893 3.070 1.00 0.00 C ATOM 136 C LEU A 41 -1.240 -20.757 4.505 1.00 0.00 C ATOM 137 O LEU A 41 -1.964 -19.802 4.797 1.00 0.00 O ATOM 138 CB LEU A 41 -1.504 -22.008 2.354 1.00 0.00 C ATOM 139 CG LEU A 41 -1.503 -21.928 0.821 1.00 0.00 C ATOM 140 CD1 LEU A 41 -2.258 -23.137 0.248 1.00 0.00 C ATOM 141 CD2 LEU A 41 -2.183 -20.643 0.326 1.00 0.00 C ATOM 0 H LEU A 41 0.952 -22.026 2.541 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.886 -19.940 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.087 -22.970 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.537 -21.987 2.702 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.466 -21.925 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.259 -23.083 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.766 -24.057 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.285 -23.131 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.165 -20.618 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.216 -20.622 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.651 -19.776 0.717 1.00 0.00 H new ATOM 153 N GLN A 42 -0.889 -21.704 5.385 1.00 0.00 N ATOM 154 CA GLN A 42 -1.251 -21.672 6.799 1.00 0.00 C ATOM 155 C GLN A 42 -0.750 -20.378 7.438 1.00 0.00 C ATOM 156 O GLN A 42 -1.562 -19.606 7.946 1.00 0.00 O ATOM 157 CB GLN A 42 -0.701 -22.911 7.531 1.00 0.00 C ATOM 158 CG GLN A 42 -1.470 -24.208 7.228 1.00 0.00 C ATOM 159 CD GLN A 42 -2.822 -24.258 7.933 1.00 0.00 C ATOM 160 OE1 GLN A 42 -3.759 -23.556 7.588 1.00 0.00 O ATOM 161 NE2 GLN A 42 -2.978 -25.082 8.953 1.00 0.00 N ATOM 0 H GLN A 42 -0.338 -22.523 5.126 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.337 -21.696 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.345 -23.048 7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.727 -22.727 8.605 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.620 -24.296 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.870 -25.064 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.204 -25.675 9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.873 -25.126 9.441 1.00 0.00 H new ATOM 170 N GLY A 43 0.561 -20.104 7.370 1.00 0.00 N ATOM 171 CA GLY A 43 1.141 -18.869 7.906 1.00 0.00 C ATOM 172 C GLY A 43 0.514 -17.595 7.317 1.00 0.00 C ATOM 173 O GLY A 43 0.270 -16.636 8.056 1.00 0.00 O ATOM 0 H GLY A 43 1.244 -20.730 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.018 -18.859 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.213 -18.863 7.707 1.00 0.00 H new ATOM 177 N LEU A 44 0.202 -17.607 6.011 1.00 0.00 N ATOM 178 CA LEU A 44 -0.456 -16.522 5.280 1.00 0.00 C ATOM 179 C LEU A 44 -1.809 -16.142 5.885 1.00 0.00 C ATOM 180 O LEU A 44 -2.009 -15.004 6.319 1.00 0.00 O ATOM 181 CB LEU A 44 -0.636 -16.890 3.791 1.00 0.00 C ATOM 182 CG LEU A 44 0.462 -16.300 2.893 1.00 0.00 C ATOM 183 CD1 LEU A 44 0.560 -17.069 1.571 1.00 0.00 C ATOM 184 CD2 LEU A 44 0.178 -14.813 2.610 1.00 0.00 C ATOM 0 H LEU A 44 0.412 -18.408 5.415 1.00 0.00 H new ATOM 0 HA LEU A 44 0.199 -15.654 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.639 -17.975 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.608 -16.535 3.449 1.00 0.00 H new ATOM 0 HG LEU A 44 1.413 -16.391 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.344 -16.632 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.798 -18.113 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.392 -17.010 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.964 -14.407 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.784 -14.716 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.153 -14.262 3.550 1.00 0.00 H new ATOM 196 N VAL A 45 -2.766 -17.073 5.868 1.00 0.00 N ATOM 197 CA VAL A 45 -4.105 -16.800 6.403 1.00 0.00 C ATOM 198 C VAL A 45 -4.099 -16.621 7.925 1.00 0.00 C ATOM 199 O VAL A 45 -4.897 -15.842 8.441 1.00 0.00 O ATOM 200 CB VAL A 45 -5.126 -17.835 5.908 1.00 0.00 C ATOM 201 CG1 VAL A 45 -4.864 -19.248 6.447 1.00 0.00 C ATOM 202 CG2 VAL A 45 -6.563 -17.402 6.233 1.00 0.00 C ATOM 0 H VAL A 45 -2.642 -18.014 5.494 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.431 -15.838 6.007 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.003 -17.878 4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.620 -19.931 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.876 -19.582 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.909 -19.236 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.261 -18.156 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.675 -17.294 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.774 -16.449 5.749 1.00 0.00 H new ATOM 212 N ASN A 46 -3.153 -17.256 8.629 1.00 0.00 N ATOM 213 CA ASN A 46 -2.951 -17.104 10.066 1.00 0.00 C ATOM 214 C ASN A 46 -2.681 -15.644 10.466 1.00 0.00 C ATOM 215 O ASN A 46 -3.418 -15.088 11.282 1.00 0.00 O ATOM 216 CB ASN A 46 -1.815 -18.048 10.490 1.00 0.00 C ATOM 217 CG ASN A 46 -1.420 -17.889 11.943 1.00 0.00 C ATOM 218 OD1 ASN A 46 -2.207 -18.101 12.849 1.00 0.00 O ATOM 219 ND2 ASN A 46 -0.181 -17.522 12.210 1.00 0.00 N ATOM 0 H ASN A 46 -2.493 -17.905 8.199 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.865 -17.376 10.594 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.123 -19.079 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.944 -17.864 9.861 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.122 -17.415 13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.474 -17.346 11.448 1.00 0.00 H new ATOM 226 N SER A 47 -1.617 -15.032 9.924 1.00 0.00 N ATOM 227 CA SER A 47 -1.234 -13.660 10.280 1.00 0.00 C ATOM 228 C SER A 47 -0.424 -12.990 9.163 1.00 0.00 C ATOM 229 O SER A 47 0.751 -12.651 9.305 1.00 0.00 O ATOM 230 CB SER A 47 -0.491 -13.653 11.624 1.00 0.00 C ATOM 231 OG SER A 47 -0.543 -12.359 12.196 1.00 0.00 O ATOM 0 H SER A 47 -1.005 -15.469 9.235 1.00 0.00 H new ATOM 0 HA SER A 47 -2.140 -13.065 10.395 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.941 -14.378 12.302 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.546 -13.954 11.478 1.00 0.00 H new ATOM 0 HG SER A 47 -0.069 -12.361 13.054 1.00 0.00 H new ATOM 237 N THR A 48 -1.025 -12.842 7.982 1.00 0.00 N ATOM 238 CA THR A 48 -0.433 -12.089 6.864 1.00 0.00 C ATOM 239 C THR A 48 -1.526 -11.495 5.981 1.00 0.00 C ATOM 240 O THR A 48 -1.599 -10.275 5.847 1.00 0.00 O ATOM 241 CB THR A 48 0.528 -12.970 6.047 1.00 0.00 C ATOM 242 OG1 THR A 48 1.505 -13.545 6.886 1.00 0.00 O ATOM 243 CG2 THR A 48 1.277 -12.213 4.955 1.00 0.00 C ATOM 0 H THR A 48 -1.939 -13.240 7.768 1.00 0.00 H new ATOM 0 HA THR A 48 0.151 -11.267 7.278 1.00 0.00 H new ATOM 0 HB THR A 48 -0.108 -13.722 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.540 -13.053 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.935 -12.900 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.561 -11.780 4.256 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.871 -11.418 5.405 1.00 0.00 H new ATOM 251 N VAL A 49 -2.419 -12.330 5.427 1.00 0.00 N ATOM 252 CA VAL A 49 -3.527 -11.834 4.596 1.00 0.00 C ATOM 253 C VAL A 49 -4.503 -10.989 5.420 1.00 0.00 C ATOM 254 O VAL A 49 -4.928 -9.934 4.964 1.00 0.00 O ATOM 255 CB VAL A 49 -4.235 -12.977 3.832 1.00 0.00 C ATOM 256 CG1 VAL A 49 -5.367 -13.652 4.619 1.00 0.00 C ATOM 257 CG2 VAL A 49 -4.807 -12.449 2.510 1.00 0.00 C ATOM 0 H VAL A 49 -2.396 -13.344 5.538 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.100 -11.179 3.836 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.469 -13.733 3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.811 -14.442 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.966 -14.081 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.129 -12.913 4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.304 -13.261 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.526 -11.656 2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.998 -12.054 1.895 1.00 0.00 H new ATOM 267 N THR A 50 -4.808 -11.417 6.656 1.00 0.00 N ATOM 268 CA THR A 50 -5.745 -10.738 7.560 1.00 0.00 C ATOM 269 C THR A 50 -5.244 -9.336 7.927 1.00 0.00 C ATOM 270 O THR A 50 -6.026 -8.388 7.969 1.00 0.00 O ATOM 271 CB THR A 50 -6.029 -11.614 8.799 1.00 0.00 C ATOM 272 OG1 THR A 50 -7.240 -11.230 9.414 1.00 0.00 O ATOM 273 CG2 THR A 50 -4.910 -11.610 9.845 1.00 0.00 C ATOM 0 H THR A 50 -4.402 -12.261 7.060 1.00 0.00 H new ATOM 0 HA THR A 50 -6.694 -10.598 7.042 1.00 0.00 H new ATOM 0 HB THR A 50 -6.097 -12.633 8.417 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.404 -11.797 10.196 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.191 -12.250 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.990 -11.984 9.395 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.751 -10.593 10.204 1.00 0.00 H new ATOM 281 N GLN A 51 -3.924 -9.181 8.101 1.00 0.00 N ATOM 282 CA GLN A 51 -3.289 -7.907 8.418 1.00 0.00 C ATOM 283 C GLN A 51 -3.407 -6.896 7.271 1.00 0.00 C ATOM 284 O GLN A 51 -3.504 -5.700 7.536 1.00 0.00 O ATOM 285 CB GLN A 51 -1.830 -8.161 8.828 1.00 0.00 C ATOM 286 CG GLN A 51 -1.163 -6.901 9.401 1.00 0.00 C ATOM 287 CD GLN A 51 0.116 -7.241 10.157 1.00 0.00 C ATOM 288 OE1 GLN A 51 1.213 -7.165 9.626 1.00 0.00 O ATOM 289 NE2 GLN A 51 0.011 -7.635 11.414 1.00 0.00 N ATOM 0 H GLN A 51 -3.262 -9.953 8.023 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.814 -7.451 9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.796 -8.958 9.571 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.266 -8.508 7.962 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.935 -6.208 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.858 -6.392 10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.907 -7.697 11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.848 -7.877 11.944 1.00 0.00 H new ATOM 298 N ALA A 52 -3.461 -7.361 6.015 1.00 0.00 N ATOM 299 CA ALA A 52 -3.598 -6.502 4.843 1.00 0.00 C ATOM 300 C ALA A 52 -4.894 -5.679 4.883 1.00 0.00 C ATOM 301 O ALA A 52 -4.846 -4.464 4.692 1.00 0.00 O ATOM 302 CB ALA A 52 -3.515 -7.355 3.572 1.00 0.00 C ATOM 0 H ALA A 52 -3.410 -8.354 5.788 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.778 -5.784 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.617 -6.714 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.552 -7.865 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.317 -8.094 3.577 1.00 0.00 H new ATOM 308 N ILE A 53 -6.036 -6.323 5.175 1.00 0.00 N ATOM 309 CA ILE A 53 -7.338 -5.649 5.294 1.00 0.00 C ATOM 310 C ILE A 53 -7.273 -4.569 6.380 1.00 0.00 C ATOM 311 O ILE A 53 -7.649 -3.427 6.128 1.00 0.00 O ATOM 312 CB ILE A 53 -8.492 -6.651 5.560 1.00 0.00 C ATOM 313 CG1 ILE A 53 -8.542 -7.777 4.498 1.00 0.00 C ATOM 314 CG2 ILE A 53 -9.851 -5.927 5.575 1.00 0.00 C ATOM 315 CD1 ILE A 53 -7.979 -9.091 5.039 1.00 0.00 C ATOM 0 H ILE A 53 -6.081 -7.329 5.336 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.557 -5.171 4.339 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.295 -7.098 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -9.572 -7.928 4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.975 -7.473 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.646 -6.649 5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.853 -5.172 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.018 -5.447 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.032 -9.856 4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.940 -8.947 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.563 -9.409 5.903 1.00 0.00 H new ATOM 327 N LEU A 54 -6.765 -4.918 7.570 1.00 0.00 N ATOM 328 CA LEU A 54 -6.641 -4.006 8.710 1.00 0.00 C ATOM 329 C LEU A 54 -5.756 -2.807 8.345 1.00 0.00 C ATOM 330 O LEU A 54 -6.191 -1.661 8.458 1.00 0.00 O ATOM 331 CB LEU A 54 -6.065 -4.742 9.940 1.00 0.00 C ATOM 332 CG LEU A 54 -6.764 -6.066 10.311 1.00 0.00 C ATOM 333 CD1 LEU A 54 -5.878 -6.914 11.232 1.00 0.00 C ATOM 334 CD2 LEU A 54 -8.122 -5.847 10.981 1.00 0.00 C ATOM 0 H LEU A 54 -6.424 -5.858 7.768 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.636 -3.641 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.010 -4.947 9.757 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.115 -4.072 10.798 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.933 -6.594 9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.393 -7.842 11.479 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.941 -7.143 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.669 -6.360 12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.569 -6.812 11.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.987 -5.272 11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.778 -5.301 10.303 1.00 0.00 H new ATOM 346 N PHE A 55 -4.532 -3.076 7.873 1.00 0.00 N ATOM 347 CA PHE A 55 -3.579 -2.051 7.458 1.00 0.00 C ATOM 348 C PHE A 55 -4.197 -1.140 6.394 1.00 0.00 C ATOM 349 O PHE A 55 -4.249 0.071 6.587 1.00 0.00 O ATOM 350 CB PHE A 55 -2.277 -2.711 6.976 1.00 0.00 C ATOM 351 CG PHE A 55 -1.097 -1.760 6.934 1.00 0.00 C ATOM 352 CD1 PHE A 55 -0.451 -1.412 8.136 1.00 0.00 C ATOM 353 CD2 PHE A 55 -0.638 -1.226 5.714 1.00 0.00 C ATOM 354 CE1 PHE A 55 0.644 -0.530 8.123 1.00 0.00 C ATOM 355 CE2 PHE A 55 0.461 -0.348 5.700 1.00 0.00 C ATOM 356 CZ PHE A 55 1.098 0.003 6.904 1.00 0.00 C ATOM 0 H PHE A 55 -4.176 -4.026 7.769 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.332 -1.419 8.311 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.037 -3.546 7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.436 -3.125 5.980 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.798 -1.824 9.072 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.130 -1.491 4.790 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.135 -0.263 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.816 0.057 4.764 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.937 0.683 6.892 1.00 0.00 H new ATOM 366 N GLY A 56 -4.736 -1.720 5.314 1.00 0.00 N ATOM 367 CA GLY A 56 -5.397 -0.994 4.235 1.00 0.00 C ATOM 368 C GLY A 56 -6.566 -0.124 4.701 1.00 0.00 C ATOM 369 O GLY A 56 -6.660 1.029 4.280 1.00 0.00 O ATOM 0 H GLY A 56 -4.722 -2.729 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.664 -0.363 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.760 -1.710 3.498 1.00 0.00 H new ATOM 373 N VAL A 57 -7.429 -0.637 5.589 1.00 0.00 N ATOM 374 CA VAL A 57 -8.535 0.118 6.200 1.00 0.00 C ATOM 375 C VAL A 57 -8.008 1.368 6.899 1.00 0.00 C ATOM 376 O VAL A 57 -8.399 2.483 6.536 1.00 0.00 O ATOM 377 CB VAL A 57 -9.343 -0.773 7.171 1.00 0.00 C ATOM 378 CG1 VAL A 57 -10.221 0.027 8.147 1.00 0.00 C ATOM 379 CG2 VAL A 57 -10.250 -1.735 6.393 1.00 0.00 C ATOM 0 H VAL A 57 -7.378 -1.604 5.909 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.213 0.437 5.408 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.600 -1.319 7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.760 -0.661 8.799 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.591 0.681 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.935 0.629 7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.810 -2.354 7.094 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.945 -1.163 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.640 -2.373 5.753 1.00 0.00 H new ATOM 389 N ARG A 58 -7.132 1.187 7.899 1.00 0.00 N ATOM 390 CA ARG A 58 -6.628 2.310 8.695 1.00 0.00 C ATOM 391 C ARG A 58 -5.839 3.278 7.820 1.00 0.00 C ATOM 392 O ARG A 58 -6.069 4.478 7.917 1.00 0.00 O ATOM 393 CB ARG A 58 -5.806 1.838 9.903 1.00 0.00 C ATOM 394 CG ARG A 58 -6.569 0.821 10.770 1.00 0.00 C ATOM 395 CD ARG A 58 -5.913 0.616 12.136 1.00 0.00 C ATOM 396 NE ARG A 58 -6.137 1.778 13.010 1.00 0.00 N ATOM 397 CZ ARG A 58 -5.675 1.943 14.241 1.00 0.00 C ATOM 398 NH1 ARG A 58 -4.916 1.045 14.823 1.00 0.00 N ATOM 399 NH2 ARG A 58 -5.988 3.026 14.911 1.00 0.00 N ATOM 0 H ARG A 58 -6.761 0.277 8.173 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.490 2.843 9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.877 1.388 9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.534 2.699 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.595 1.163 10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.620 -0.134 10.247 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.317 -0.280 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.843 0.454 12.008 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.706 2.534 12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.666 0.190 14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.576 1.202 15.772 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.584 3.735 14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.636 3.159 15.859 1.00 0.00 H new ATOM 413 N SER A 59 -4.994 2.765 6.919 1.00 0.00 N ATOM 414 CA SER A 59 -4.251 3.560 5.940 1.00 0.00 C ATOM 415 C SER A 59 -5.168 4.391 5.050 1.00 0.00 C ATOM 416 O SER A 59 -4.929 5.584 4.918 1.00 0.00 O ATOM 417 CB SER A 59 -3.353 2.674 5.076 1.00 0.00 C ATOM 418 OG SER A 59 -2.211 2.308 5.822 1.00 0.00 O ATOM 0 H SER A 59 -4.805 1.765 6.850 1.00 0.00 H new ATOM 0 HA SER A 59 -3.629 4.248 6.512 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.896 1.784 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.057 3.206 4.172 1.00 0.00 H new ATOM 0 HG SER A 59 -2.396 1.486 6.322 1.00 0.00 H new ATOM 424 N GLY A 60 -6.225 3.811 4.468 1.00 0.00 N ATOM 425 CA GLY A 60 -7.143 4.537 3.588 1.00 0.00 C ATOM 426 C GLY A 60 -7.893 5.653 4.308 1.00 0.00 C ATOM 427 O GLY A 60 -7.927 6.786 3.822 1.00 0.00 O ATOM 0 H GLY A 60 -6.466 2.828 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.582 4.961 2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.863 3.837 3.164 1.00 0.00 H new ATOM 431 N ALA A 61 -8.469 5.351 5.478 1.00 0.00 N ATOM 432 CA ALA A 61 -9.161 6.349 6.290 1.00 0.00 C ATOM 433 C ALA A 61 -8.199 7.450 6.770 1.00 0.00 C ATOM 434 O ALA A 61 -8.489 8.635 6.588 1.00 0.00 O ATOM 435 CB ALA A 61 -9.872 5.654 7.457 1.00 0.00 C ATOM 0 H ALA A 61 -8.467 4.415 5.883 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.913 6.847 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.389 6.398 8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.595 4.938 7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.138 5.132 8.071 1.00 0.00 H new ATOM 441 N ALA A 62 -7.042 7.062 7.336 1.00 0.00 N ATOM 442 CA ALA A 62 -5.995 7.979 7.786 1.00 0.00 C ATOM 443 C ALA A 62 -5.439 8.838 6.634 1.00 0.00 C ATOM 444 O ALA A 62 -5.206 10.029 6.818 1.00 0.00 O ATOM 445 CB ALA A 62 -4.884 7.207 8.505 1.00 0.00 C ATOM 0 H ALA A 62 -6.810 6.081 7.494 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.444 8.674 8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.112 7.903 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.301 6.691 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.448 6.477 7.823 1.00 0.00 H new ATOM 451 N ALA A 63 -5.280 8.272 5.433 1.00 0.00 N ATOM 452 CA ALA A 63 -4.899 9.013 4.236 1.00 0.00 C ATOM 453 C ALA A 63 -5.965 10.042 3.848 1.00 0.00 C ATOM 454 O ALA A 63 -5.641 11.220 3.715 1.00 0.00 O ATOM 455 CB ALA A 63 -4.585 8.041 3.095 1.00 0.00 C ATOM 0 H ALA A 63 -5.415 7.275 5.268 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.993 9.580 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.302 8.604 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.763 7.388 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.467 7.438 2.877 1.00 0.00 H new ATOM 461 N LEU A 64 -7.235 9.638 3.714 1.00 0.00 N ATOM 462 CA LEU A 64 -8.331 10.559 3.399 1.00 0.00 C ATOM 463 C LEU A 64 -8.374 11.750 4.367 1.00 0.00 C ATOM 464 O LEU A 64 -8.408 12.895 3.910 1.00 0.00 O ATOM 465 CB LEU A 64 -9.649 9.770 3.329 1.00 0.00 C ATOM 466 CG LEU A 64 -10.926 10.639 3.232 1.00 0.00 C ATOM 467 CD1 LEU A 64 -11.959 9.960 2.330 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.556 10.882 4.613 1.00 0.00 C ATOM 0 H LEU A 64 -7.529 8.667 3.821 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.163 11.007 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.613 9.106 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.724 9.138 4.214 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.631 11.600 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.853 10.581 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.540 9.828 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.221 8.987 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.450 11.496 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.825 9.927 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.840 11.396 5.254 1.00 0.00 H new ATOM 480 N THR A 65 -8.331 11.496 5.686 1.00 0.00 N ATOM 481 CA THR A 65 -8.311 12.579 6.682 1.00 0.00 C ATOM 482 C THR A 65 -7.065 13.462 6.545 1.00 0.00 C ATOM 483 O THR A 65 -7.224 14.680 6.593 1.00 0.00 O ATOM 484 CB THR A 65 -8.531 12.085 8.124 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.591 13.143 9.052 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.433 11.172 8.630 1.00 0.00 C ATOM 0 H THR A 65 -8.310 10.557 6.084 1.00 0.00 H new ATOM 0 HA THR A 65 -9.172 13.210 6.459 1.00 0.00 H new ATOM 0 HB THR A 65 -9.477 11.547 8.059 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.733 12.781 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.657 10.865 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.370 10.291 7.992 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.481 11.703 8.611 1.00 0.00 H new ATOM 494 N LEU A 66 -5.866 12.897 6.305 1.00 0.00 N ATOM 495 CA LEU A 66 -4.631 13.678 6.114 1.00 0.00 C ATOM 496 C LEU A 66 -4.678 14.539 4.841 1.00 0.00 C ATOM 497 O LEU A 66 -4.139 15.642 4.825 1.00 0.00 O ATOM 498 CB LEU A 66 -3.371 12.782 6.206 1.00 0.00 C ATOM 499 CG LEU A 66 -2.625 12.447 4.890 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.651 13.562 4.473 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.829 11.144 5.003 1.00 0.00 C ATOM 0 H LEU A 66 -5.728 11.889 6.238 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.560 14.386 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.663 13.267 6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.662 11.842 6.675 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.403 12.343 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.152 13.281 3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.203 14.490 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.907 13.706 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.321 10.945 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.091 11.236 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.507 10.322 5.230 1.00 0.00 H new ATOM 513 N ILE A 67 -5.331 14.057 3.779 1.00 0.00 N ATOM 514 CA ILE A 67 -5.458 14.781 2.512 1.00 0.00 C ATOM 515 C ILE A 67 -6.417 15.960 2.690 1.00 0.00 C ATOM 516 O ILE A 67 -6.030 17.099 2.426 1.00 0.00 O ATOM 517 CB ILE A 67 -5.895 13.823 1.382 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.797 12.770 1.098 1.00 0.00 C ATOM 519 CG2 ILE A 67 -6.194 14.590 0.082 1.00 0.00 C ATOM 520 CD1 ILE A 67 -5.343 11.489 0.450 1.00 0.00 C ATOM 0 H ILE A 67 -5.790 13.146 3.775 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.490 15.186 2.218 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.803 13.324 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.043 13.208 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.298 12.513 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.499 13.887 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.997 15.306 0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.299 15.121 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.524 10.791 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.076 11.030 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.817 11.735 -0.500 1.00 0.00 H new ATOM 532 N VAL A 68 -7.647 15.709 3.167 1.00 0.00 N ATOM 533 CA VAL A 68 -8.647 16.775 3.335 1.00 0.00 C ATOM 534 C VAL A 68 -8.120 17.891 4.247 1.00 0.00 C ATOM 535 O VAL A 68 -8.234 19.063 3.883 1.00 0.00 O ATOM 536 CB VAL A 68 -10.031 16.252 3.790 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.574 15.155 2.853 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.048 15.729 5.230 1.00 0.00 C ATOM 0 H VAL A 68 -7.971 14.782 3.442 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.812 17.203 2.346 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.680 17.126 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.547 14.819 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.678 15.556 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.882 14.313 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.050 15.380 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.342 14.904 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.764 16.531 5.912 1.00 0.00 H new ATOM 548 N VAL A 69 -7.481 17.532 5.377 1.00 0.00 N ATOM 549 CA VAL A 69 -6.851 18.491 6.296 1.00 0.00 C ATOM 550 C VAL A 69 -5.698 19.240 5.623 1.00 0.00 C ATOM 551 O VAL A 69 -5.631 20.458 5.761 1.00 0.00 O ATOM 552 CB VAL A 69 -6.462 17.866 7.653 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.352 16.832 7.556 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.015 18.922 8.670 1.00 0.00 C ATOM 0 H VAL A 69 -7.389 16.562 5.677 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.608 19.236 6.540 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.377 17.375 7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.134 16.438 8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.669 16.018 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.456 17.298 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.752 18.435 9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.147 19.456 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.828 19.627 8.843 1.00 0.00 H new ATOM 564 N TRP A 70 -4.824 18.578 4.851 1.00 0.00 N ATOM 565 CA TRP A 70 -3.738 19.257 4.128 1.00 0.00 C ATOM 566 C TRP A 70 -4.243 20.302 3.133 1.00 0.00 C ATOM 567 O TRP A 70 -3.601 21.344 2.996 1.00 0.00 O ATOM 568 CB TRP A 70 -2.817 18.250 3.421 1.00 0.00 C ATOM 569 CG TRP A 70 -1.515 17.959 4.108 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.366 17.666 3.460 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.169 17.989 5.532 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.659 17.516 4.372 1.00 0.00 N ATOM 573 CE2 TRP A 70 0.224 17.715 5.663 1.00 0.00 C ATOM 574 CE3 TRP A 70 -1.865 18.279 6.727 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.889 17.729 6.898 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -1.220 18.273 7.976 1.00 0.00 C ATOM 577 CH2 TRP A 70 0.156 18.004 8.065 1.00 0.00 C ATOM 0 H TRP A 70 -4.848 17.568 4.711 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.163 19.788 4.887 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.360 17.312 3.301 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.602 18.624 2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.265 17.564 2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.620 17.286 4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.919 18.511 6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.949 17.531 6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.786 18.477 8.873 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.648 18.009 9.026 1.00 0.00 H new ATOM 588 N ILE A 71 -5.379 20.048 2.472 1.00 0.00 N ATOM 589 CA ILE A 71 -6.003 21.008 1.556 1.00 0.00 C ATOM 590 C ILE A 71 -6.629 22.171 2.334 1.00 0.00 C ATOM 591 O ILE A 71 -6.296 23.321 2.056 1.00 0.00 O ATOM 592 CB ILE A 71 -7.000 20.306 0.598 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.264 19.716 -0.631 1.00 0.00 C ATOM 594 CG2 ILE A 71 -8.070 21.283 0.068 1.00 0.00 C ATOM 595 CD1 ILE A 71 -5.446 18.452 -0.355 1.00 0.00 C ATOM 0 H ILE A 71 -5.891 19.170 2.558 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.230 21.439 0.920 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.476 19.516 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.001 19.492 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.599 20.478 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.749 20.752 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.633 21.695 0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.585 22.093 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.970 18.118 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.681 18.669 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.104 17.667 0.019 1.00 0.00 H new ATOM 607 N THR A 72 -7.535 21.906 3.285 1.00 0.00 N ATOM 608 CA THR A 72 -8.239 22.978 4.015 1.00 0.00 C ATOM 609 C THR A 72 -7.323 23.782 4.941 1.00 0.00 C ATOM 610 O THR A 72 -7.499 24.994 5.033 1.00 0.00 O ATOM 611 CB THR A 72 -9.449 22.443 4.797 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.137 23.509 5.418 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.069 21.436 5.882 1.00 0.00 C ATOM 0 H THR A 72 -7.800 20.963 3.569 1.00 0.00 H new ATOM 0 HA THR A 72 -8.597 23.661 3.245 1.00 0.00 H new ATOM 0 HB THR A 72 -10.077 21.936 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.907 23.158 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.969 21.098 6.396 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.569 20.582 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.398 21.909 6.599 1.00 0.00 H new ATOM 621 N SER A 73 -6.371 23.129 5.620 1.00 0.00 N ATOM 622 CA SER A 73 -5.386 23.764 6.503 1.00 0.00 C ATOM 623 C SER A 73 -4.191 24.336 5.730 1.00 0.00 C ATOM 624 O SER A 73 -3.440 25.142 6.274 1.00 0.00 O ATOM 625 CB SER A 73 -4.889 22.736 7.528 1.00 0.00 C ATOM 626 OG SER A 73 -4.222 23.368 8.598 1.00 0.00 O ATOM 0 H SER A 73 -6.262 22.116 5.568 1.00 0.00 H new ATOM 0 HA SER A 73 -5.879 24.598 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.733 22.161 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.216 22.029 7.042 1.00 0.00 H new ATOM 0 HG SER A 73 -3.671 24.101 8.253 1.00 0.00 H new ATOM 632 N ARG A 74 -4.023 23.948 4.453 1.00 0.00 N ATOM 633 CA ARG A 74 -2.934 24.367 3.559 1.00 0.00 C ATOM 634 C ARG A 74 -1.558 24.169 4.210 1.00 0.00 C ATOM 635 O ARG A 74 -0.817 25.124 4.440 1.00 0.00 O ATOM 636 CB ARG A 74 -3.161 25.820 3.103 1.00 0.00 C ATOM 637 CG ARG A 74 -4.491 26.062 2.380 1.00 0.00 C ATOM 638 CD ARG A 74 -4.453 25.550 0.934 1.00 0.00 C ATOM 639 NE ARG A 74 -5.689 25.891 0.206 1.00 0.00 N ATOM 640 CZ ARG A 74 -6.044 27.097 -0.225 1.00 0.00 C ATOM 641 NH1 ARG A 74 -5.304 28.156 0.008 1.00 0.00 N ATOM 642 NH2 ARG A 74 -7.161 27.275 -0.887 1.00 0.00 N ATOM 0 H ARG A 74 -4.672 23.306 3.998 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.944 23.730 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.113 26.472 3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.345 26.111 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.295 25.564 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.718 27.128 2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.595 25.980 0.417 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.316 24.469 0.934 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.335 25.126 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.433 28.065 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.600 29.070 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.772 26.481 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.419 28.207 -1.211 1.00 0.00 H new ATOM 656 N SER A 75 -1.220 22.905 4.496 1.00 0.00 N ATOM 657 CA SER A 75 0.053 22.520 5.123 1.00 0.00 C ATOM 658 C SER A 75 1.263 23.159 4.426 1.00 0.00 C ATOM 659 O SER A 75 1.523 22.869 3.260 1.00 0.00 O ATOM 660 CB SER A 75 0.200 20.996 5.145 1.00 0.00 C ATOM 661 OG SER A 75 1.559 20.621 5.258 1.00 0.00 O ATOM 0 H SER A 75 -1.829 22.111 4.297 1.00 0.00 H new ATOM 0 HA SER A 75 0.032 22.895 6.146 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.366 20.584 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.224 20.573 4.234 1.00 0.00 H new ATOM 0 HG SER A 75 1.618 19.684 5.540 1.00 0.00 H new ATOM 667 N ARG A 76 2.030 23.970 5.172 1.00 0.00 N ATOM 668 CA ARG A 76 3.237 24.675 4.713 1.00 0.00 C ATOM 669 C ARG A 76 4.312 23.730 4.171 1.00 0.00 C ATOM 670 O ARG A 76 4.645 23.779 2.992 1.00 0.00 O ATOM 671 CB ARG A 76 3.781 25.563 5.855 1.00 0.00 C ATOM 672 CG ARG A 76 3.306 27.012 5.699 1.00 0.00 C ATOM 673 CD ARG A 76 3.539 27.854 6.968 1.00 0.00 C ATOM 674 NE ARG A 76 4.807 28.616 6.947 1.00 0.00 N ATOM 675 CZ ARG A 76 5.065 29.704 6.226 1.00 0.00 C ATOM 676 NH1 ARG A 76 4.203 30.159 5.349 1.00 0.00 N ATOM 677 NH2 ARG A 76 6.194 30.361 6.378 1.00 0.00 N ATOM 0 H ARG A 76 1.817 24.160 6.151 1.00 0.00 H new ATOM 0 HA ARG A 76 2.954 25.306 3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.449 25.169 6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.871 25.532 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.829 27.473 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.244 27.017 5.454 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.709 28.549 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.534 27.196 7.837 1.00 0.00 H new ATOM 0 HE ARG A 76 5.559 28.273 7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.315 29.677 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.420 30.995 4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.885 30.038 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.379 31.194 5.819 1.00 0.00 H new ATOM 691 N LYS A 77 4.887 22.905 5.052 1.00 0.00 N ATOM 692 CA LYS A 77 5.951 21.945 4.738 1.00 0.00 C ATOM 693 C LYS A 77 5.347 20.555 4.545 1.00 0.00 C ATOM 694 O LYS A 77 4.910 19.929 5.508 1.00 0.00 O ATOM 695 CB LYS A 77 7.024 21.949 5.845 1.00 0.00 C ATOM 696 CG LYS A 77 8.292 22.703 5.410 1.00 0.00 C ATOM 697 CD LYS A 77 9.348 22.722 6.529 1.00 0.00 C ATOM 698 CE LYS A 77 9.064 23.783 7.605 1.00 0.00 C ATOM 699 NZ LYS A 77 9.865 25.013 7.394 1.00 0.00 N ATOM 0 H LYS A 77 4.616 22.886 6.035 1.00 0.00 H new ATOM 0 HA LYS A 77 6.441 22.237 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.617 22.412 6.744 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.283 20.922 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.711 22.231 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.033 23.725 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.390 21.739 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.329 22.909 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.003 24.034 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.285 23.370 8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.644 25.703 8.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.878 24.778 7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.636 25.422 6.466 1.00 0.00 H new ATOM 713 N THR A 78 5.308 20.086 3.299 1.00 0.00 N ATOM 714 CA THR A 78 4.793 18.771 2.906 1.00 0.00 C ATOM 715 C THR A 78 5.922 17.730 2.831 1.00 0.00 C ATOM 716 O THR A 78 6.746 17.795 1.917 1.00 0.00 O ATOM 717 CB THR A 78 4.033 18.845 1.566 1.00 0.00 C ATOM 718 OG1 THR A 78 4.337 20.021 0.849 1.00 0.00 O ATOM 719 CG2 THR A 78 2.528 18.822 1.826 1.00 0.00 C ATOM 0 H THR A 78 5.646 20.629 2.505 1.00 0.00 H new ATOM 0 HA THR A 78 4.090 18.453 3.676 1.00 0.00 H new ATOM 0 HB THR A 78 4.342 17.984 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.837 20.029 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.994 18.874 0.877 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.262 17.899 2.342 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.253 19.676 2.445 1.00 0.00 H new ATOM 727 N PRO A 79 5.991 16.764 3.767 1.00 0.00 N ATOM 728 CA PRO A 79 7.005 15.711 3.752 1.00 0.00 C ATOM 729 C PRO A 79 6.820 14.760 2.558 1.00 0.00 C ATOM 730 O PRO A 79 5.865 13.980 2.519 1.00 0.00 O ATOM 731 CB PRO A 79 6.883 14.992 5.102 1.00 0.00 C ATOM 732 CG PRO A 79 5.454 15.278 5.560 1.00 0.00 C ATOM 733 CD PRO A 79 5.126 16.626 4.934 1.00 0.00 C ATOM 0 HA PRO A 79 8.006 16.122 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.060 13.921 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.612 15.368 5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.765 14.504 5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.384 15.316 6.647 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.076 16.674 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.300 17.435 5.643 1.00 0.00 H new ATOM 741 N ILE A 80 7.768 14.786 1.609 1.00 0.00 N ATOM 742 CA ILE A 80 7.821 13.914 0.418 1.00 0.00 C ATOM 743 C ILE A 80 7.536 12.439 0.724 1.00 0.00 C ATOM 744 O ILE A 80 6.855 11.777 -0.056 1.00 0.00 O ATOM 745 CB ILE A 80 9.181 14.041 -0.316 1.00 0.00 C ATOM 746 CG1 ILE A 80 10.397 14.006 0.644 1.00 0.00 C ATOM 747 CG2 ILE A 80 9.195 15.298 -1.209 1.00 0.00 C ATOM 748 CD1 ILE A 80 11.717 13.664 -0.058 1.00 0.00 C ATOM 0 H ILE A 80 8.551 15.439 1.648 1.00 0.00 H new ATOM 0 HA ILE A 80 7.021 14.268 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 80 9.284 13.162 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.494 14.976 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.210 13.272 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.156 15.373 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.398 15.227 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.041 16.184 -0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.526 13.657 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.638 12.681 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.926 14.411 -0.824 1.00 0.00 H new ATOM 760 N PHE A 81 8.014 11.938 1.869 1.00 0.00 N ATOM 761 CA PHE A 81 7.809 10.568 2.336 1.00 0.00 C ATOM 762 C PHE A 81 6.314 10.216 2.409 1.00 0.00 C ATOM 763 O PHE A 81 5.881 9.221 1.824 1.00 0.00 O ATOM 764 CB PHE A 81 8.514 10.395 3.695 1.00 0.00 C ATOM 765 CG PHE A 81 8.893 8.961 4.015 1.00 0.00 C ATOM 766 CD1 PHE A 81 7.900 7.973 4.168 1.00 0.00 C ATOM 767 CD2 PHE A 81 10.250 8.606 4.144 1.00 0.00 C ATOM 768 CE1 PHE A 81 8.263 6.638 4.412 1.00 0.00 C ATOM 769 CE2 PHE A 81 10.613 7.272 4.399 1.00 0.00 C ATOM 770 CZ PHE A 81 9.618 6.286 4.525 1.00 0.00 C ATOM 0 H PHE A 81 8.572 12.496 2.515 1.00 0.00 H new ATOM 0 HA PHE A 81 8.247 9.871 1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.414 11.009 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.861 10.772 4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.857 8.243 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.015 9.362 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.499 5.881 4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.655 7.005 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.896 5.259 4.709 1.00 0.00 H new ATOM 780 N ILE A 82 5.527 11.059 3.092 1.00 0.00 N ATOM 781 CA ILE A 82 4.070 10.946 3.187 1.00 0.00 C ATOM 782 C ILE A 82 3.465 10.981 1.783 1.00 0.00 C ATOM 783 O ILE A 82 2.707 10.079 1.436 1.00 0.00 O ATOM 784 CB ILE A 82 3.504 12.050 4.118 1.00 0.00 C ATOM 785 CG1 ILE A 82 3.413 11.607 5.594 1.00 0.00 C ATOM 786 CG2 ILE A 82 2.117 12.582 3.711 1.00 0.00 C ATOM 787 CD1 ILE A 82 4.737 11.149 6.215 1.00 0.00 C ATOM 0 H ILE A 82 5.898 11.858 3.606 1.00 0.00 H new ATOM 0 HA ILE A 82 3.795 9.992 3.637 1.00 0.00 H new ATOM 0 HB ILE A 82 4.234 12.852 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.020 12.436 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.693 10.793 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.800 13.350 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.171 13.010 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.397 11.764 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.571 10.858 7.252 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.125 10.297 5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.458 11.966 6.178 1.00 0.00 H new ATOM 799 N ILE A 83 3.814 11.991 0.969 1.00 0.00 N ATOM 800 CA ILE A 83 3.235 12.166 -0.371 1.00 0.00 C ATOM 801 C ILE A 83 3.456 10.918 -1.242 1.00 0.00 C ATOM 802 O ILE A 83 2.523 10.421 -1.879 1.00 0.00 O ATOM 803 CB ILE A 83 3.777 13.437 -1.066 1.00 0.00 C ATOM 804 CG1 ILE A 83 3.669 14.727 -0.221 1.00 0.00 C ATOM 805 CG2 ILE A 83 3.062 13.628 -2.416 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.262 15.094 0.276 1.00 0.00 C ATOM 0 H ILE A 83 4.500 12.703 1.220 1.00 0.00 H new ATOM 0 HA ILE A 83 2.160 12.298 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 83 4.845 13.272 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.323 14.626 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.051 15.558 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.444 14.524 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.245 12.761 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.990 13.735 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.310 16.015 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.600 15.237 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.876 14.290 0.903 1.00 0.00 H new ATOM 818 N ASN A 84 4.682 10.381 -1.232 1.00 0.00 N ATOM 819 CA ASN A 84 5.037 9.157 -1.937 1.00 0.00 C ATOM 820 C ASN A 84 4.208 7.955 -1.457 1.00 0.00 C ATOM 821 O ASN A 84 3.662 7.222 -2.288 1.00 0.00 O ATOM 822 CB ASN A 84 6.545 8.910 -1.779 1.00 0.00 C ATOM 823 CG ASN A 84 7.047 7.940 -2.831 1.00 0.00 C ATOM 824 OD1 ASN A 84 7.564 8.337 -3.861 1.00 0.00 O ATOM 825 ND2 ASN A 84 6.880 6.651 -2.626 1.00 0.00 N ATOM 0 H ASN A 84 5.463 10.796 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 84 4.803 9.277 -2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.083 9.854 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.750 8.513 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.184 5.979 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.447 6.324 -1.762 1.00 0.00 H new ATOM 832 N GLN A 85 4.096 7.765 -0.132 1.00 0.00 N ATOM 833 CA GLN A 85 3.230 6.736 0.451 1.00 0.00 C ATOM 834 C GLN A 85 1.786 6.866 -0.035 1.00 0.00 C ATOM 835 O GLN A 85 1.207 5.853 -0.434 1.00 0.00 O ATOM 836 CB GLN A 85 3.266 6.758 1.989 1.00 0.00 C ATOM 837 CG GLN A 85 4.475 6.019 2.574 1.00 0.00 C ATOM 838 CD GLN A 85 4.156 5.476 3.964 1.00 0.00 C ATOM 839 OE1 GLN A 85 3.822 6.202 4.885 1.00 0.00 O ATOM 840 NE2 GLN A 85 4.227 4.171 4.159 1.00 0.00 N ATOM 0 H GLN A 85 4.602 8.319 0.559 1.00 0.00 H new ATOM 0 HA GLN A 85 3.625 5.778 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.280 7.793 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.351 6.307 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.760 5.199 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.328 6.695 2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.505 3.556 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.003 3.779 5.074 1.00 0.00 H new ATOM 849 N VAL A 86 1.225 8.087 -0.039 1.00 0.00 N ATOM 850 CA VAL A 86 -0.132 8.344 -0.538 1.00 0.00 C ATOM 851 C VAL A 86 -0.256 7.846 -1.980 1.00 0.00 C ATOM 852 O VAL A 86 -1.112 7.010 -2.250 1.00 0.00 O ATOM 853 CB VAL A 86 -0.554 9.830 -0.433 1.00 0.00 C ATOM 854 CG1 VAL A 86 -2.054 9.975 -0.719 1.00 0.00 C ATOM 855 CG2 VAL A 86 -0.282 10.469 0.939 1.00 0.00 C ATOM 0 H VAL A 86 1.701 8.921 0.304 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.818 7.792 0.105 1.00 0.00 H new ATOM 0 HB VAL A 86 0.057 10.350 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.339 11.024 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.269 9.613 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.621 9.391 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.607 11.509 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.831 9.926 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.785 10.425 1.156 1.00 0.00 H new ATOM 865 N SER A 87 0.606 8.316 -2.894 1.00 0.00 N ATOM 866 CA SER A 87 0.562 7.930 -4.311 1.00 0.00 C ATOM 867 C SER A 87 0.571 6.409 -4.496 1.00 0.00 C ATOM 868 O SER A 87 -0.373 5.866 -5.068 1.00 0.00 O ATOM 869 CB SER A 87 1.707 8.587 -5.087 1.00 0.00 C ATOM 870 OG SER A 87 1.518 8.435 -6.482 1.00 0.00 O ATOM 0 H SER A 87 1.353 8.974 -2.671 1.00 0.00 H new ATOM 0 HA SER A 87 -0.382 8.293 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.762 9.646 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.656 8.139 -4.793 1.00 0.00 H new ATOM 0 HG SER A 87 2.258 8.863 -6.961 1.00 0.00 H new ATOM 876 N LEU A 88 1.586 5.713 -3.960 1.00 0.00 N ATOM 877 CA LEU A 88 1.668 4.248 -3.989 1.00 0.00 C ATOM 878 C LEU A 88 0.374 3.605 -3.474 1.00 0.00 C ATOM 879 O LEU A 88 -0.284 2.873 -4.214 1.00 0.00 O ATOM 880 CB LEU A 88 2.891 3.777 -3.178 1.00 0.00 C ATOM 881 CG LEU A 88 4.131 3.523 -4.054 1.00 0.00 C ATOM 882 CD1 LEU A 88 5.381 3.398 -3.178 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.969 2.243 -4.897 1.00 0.00 C ATOM 0 H LEU A 88 2.377 6.156 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 88 1.792 3.927 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.132 4.528 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.636 2.861 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 88 4.238 4.372 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.251 3.218 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.525 4.321 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.258 2.566 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.861 2.092 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.831 1.387 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.100 2.343 -5.548 1.00 0.00 H new ATOM 895 N PHE A 89 0.001 3.892 -2.223 1.00 0.00 N ATOM 896 CA PHE A 89 -1.180 3.328 -1.575 1.00 0.00 C ATOM 897 C PHE A 89 -2.469 3.520 -2.395 1.00 0.00 C ATOM 898 O PHE A 89 -3.240 2.572 -2.553 1.00 0.00 O ATOM 899 CB PHE A 89 -1.304 3.939 -0.175 1.00 0.00 C ATOM 900 CG PHE A 89 -2.525 3.449 0.563 1.00 0.00 C ATOM 901 CD1 PHE A 89 -2.471 2.243 1.283 1.00 0.00 C ATOM 902 CD2 PHE A 89 -3.741 4.145 0.443 1.00 0.00 C ATOM 903 CE1 PHE A 89 -3.636 1.727 1.868 1.00 0.00 C ATOM 904 CE2 PHE A 89 -4.909 3.622 1.018 1.00 0.00 C ATOM 905 CZ PHE A 89 -4.856 2.413 1.732 1.00 0.00 C ATOM 0 H PHE A 89 0.522 4.534 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.050 2.248 -1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.412 3.697 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.345 5.025 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.534 1.715 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.776 5.083 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.596 0.802 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.847 4.147 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.754 2.010 2.177 1.00 0.00 H new ATOM 915 N LEU A 90 -2.687 4.720 -2.951 1.00 0.00 N ATOM 916 CA LEU A 90 -3.819 5.049 -3.827 1.00 0.00 C ATOM 917 C LEU A 90 -3.926 4.077 -5.013 1.00 0.00 C ATOM 918 O LEU A 90 -5.011 3.547 -5.277 1.00 0.00 O ATOM 919 CB LEU A 90 -3.666 6.501 -4.329 1.00 0.00 C ATOM 920 CG LEU A 90 -4.411 7.602 -3.542 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.396 7.432 -2.015 1.00 0.00 C ATOM 922 CD2 LEU A 90 -3.857 8.974 -3.966 1.00 0.00 C ATOM 0 H LEU A 90 -2.062 5.511 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.740 4.952 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.604 6.747 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.005 6.538 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.466 7.518 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.944 8.253 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.867 6.486 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.366 7.437 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.375 9.761 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.790 9.020 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.013 9.115 -5.036 1.00 0.00 H new ATOM 934 N ILE A 91 -2.812 3.820 -5.715 1.00 0.00 N ATOM 935 CA ILE A 91 -2.783 2.831 -6.801 1.00 0.00 C ATOM 936 C ILE A 91 -3.100 1.428 -6.276 1.00 0.00 C ATOM 937 O ILE A 91 -3.932 0.745 -6.874 1.00 0.00 O ATOM 938 CB ILE A 91 -1.442 2.858 -7.569 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.279 4.181 -8.365 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.350 1.671 -8.549 1.00 0.00 C ATOM 941 CD1 ILE A 91 -0.085 5.044 -7.937 1.00 0.00 C ATOM 0 H ILE A 91 -1.919 4.284 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.562 3.105 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.644 2.784 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.176 3.942 -9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.191 4.768 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.398 1.710 -9.079 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.419 0.735 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.168 1.728 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.051 5.946 -8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.193 5.319 -6.888 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.838 4.480 -8.071 1.00 0.00 H new ATOM 953 N ILE A 92 -2.468 1.001 -5.172 1.00 0.00 N ATOM 954 CA ILE A 92 -2.701 -0.326 -4.577 1.00 0.00 C ATOM 955 C ILE A 92 -4.193 -0.536 -4.283 1.00 0.00 C ATOM 956 O ILE A 92 -4.743 -1.575 -4.654 1.00 0.00 O ATOM 957 CB ILE A 92 -1.829 -0.549 -3.319 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.313 -0.434 -3.599 1.00 0.00 C ATOM 959 CG2 ILE A 92 -2.130 -1.907 -2.659 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.291 -1.513 -4.506 1.00 0.00 C ATOM 0 H ILE A 92 -1.783 1.563 -4.667 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.398 -1.078 -5.306 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.097 0.255 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.121 0.540 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.214 -0.454 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.500 -2.031 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.178 -1.943 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.925 -2.709 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.358 -1.329 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.142 -2.494 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.198 -1.485 -5.480 1.00 0.00 H new ATOM 972 N LEU A 93 -4.857 0.466 -3.686 1.00 0.00 N ATOM 973 CA LEU A 93 -6.308 0.493 -3.505 1.00 0.00 C ATOM 974 C LEU A 93 -7.034 0.304 -4.840 1.00 0.00 C ATOM 975 O LEU A 93 -7.767 -0.674 -4.982 1.00 0.00 O ATOM 976 CB LEU A 93 -6.729 1.782 -2.765 1.00 0.00 C ATOM 977 CG LEU A 93 -8.207 2.204 -2.938 1.00 0.00 C ATOM 978 CD1 LEU A 93 -9.205 1.106 -2.534 1.00 0.00 C ATOM 979 CD2 LEU A 93 -8.486 3.483 -2.146 1.00 0.00 C ATOM 0 H LEU A 93 -4.389 1.291 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.606 -0.347 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.531 1.649 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.095 2.599 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.355 2.384 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.223 1.468 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.042 0.222 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.058 0.849 -1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.529 3.771 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.286 3.307 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.841 4.284 -2.509 1.00 0.00 H new ATOM 991 N HIS A 94 -6.853 1.224 -5.799 1.00 0.00 N ATOM 992 CA HIS A 94 -7.596 1.199 -7.063 1.00 0.00 C ATOM 993 C HIS A 94 -7.408 -0.134 -7.799 1.00 0.00 C ATOM 994 O HIS A 94 -8.383 -0.737 -8.238 1.00 0.00 O ATOM 995 CB HIS A 94 -7.209 2.405 -7.932 1.00 0.00 C ATOM 996 CG HIS A 94 -8.237 2.758 -8.986 1.00 0.00 C ATOM 997 ND1 HIS A 94 -8.929 3.950 -9.058 1.00 0.00 N ATOM 998 CD2 HIS A 94 -8.656 1.978 -10.033 1.00 0.00 C ATOM 999 CE1 HIS A 94 -9.742 3.887 -10.127 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -9.595 2.714 -10.760 1.00 0.00 N ATOM 0 H HIS A 94 -6.194 1.998 -5.720 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.660 1.279 -6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.053 3.270 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.258 2.197 -8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.321 0.976 -10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.419 4.671 -10.433 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.076 2.416 -11.609 1.00 0.00 H new ATOM 1008 N SER A 95 -6.168 -0.622 -7.877 1.00 0.00 N ATOM 1009 CA SER A 95 -5.805 -1.896 -8.496 1.00 0.00 C ATOM 1010 C SER A 95 -6.501 -3.090 -7.826 1.00 0.00 C ATOM 1011 O SER A 95 -7.171 -3.882 -8.496 1.00 0.00 O ATOM 1012 CB SER A 95 -4.283 -2.043 -8.447 1.00 0.00 C ATOM 1013 OG SER A 95 -3.873 -3.048 -9.344 1.00 0.00 O ATOM 0 H SER A 95 -5.363 -0.123 -7.498 1.00 0.00 H new ATOM 0 HA SER A 95 -6.146 -1.893 -9.531 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.808 -1.096 -8.705 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.965 -2.294 -7.435 1.00 0.00 H new ATOM 0 HG SER A 95 -2.898 -3.138 -9.311 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.403 -3.195 -6.491 1.00 0.00 N ATOM 1020 CA ALA A 96 -7.068 -4.245 -5.722 1.00 0.00 C ATOM 1021 C ALA A 96 -8.595 -4.194 -5.882 1.00 0.00 C ATOM 1022 O ALA A 96 -9.220 -5.229 -6.129 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.658 -4.128 -4.250 1.00 0.00 C ATOM 0 H ALA A 96 -5.858 -2.550 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.750 -5.214 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.151 -4.909 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.577 -4.240 -4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.953 -3.151 -3.867 1.00 0.00 H new ATOM 1029 N LEU A 97 -9.197 -2.996 -5.778 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.627 -2.793 -6.030 1.00 0.00 C ATOM 1031 C LEU A 97 -10.996 -3.255 -7.448 1.00 0.00 C ATOM 1032 O LEU A 97 -12.018 -3.911 -7.619 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.058 -1.336 -5.691 1.00 0.00 C ATOM 1034 CG LEU A 97 -11.540 -0.445 -6.863 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -12.988 -0.770 -7.271 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -11.420 1.051 -6.547 1.00 0.00 C ATOM 0 H LEU A 97 -8.702 -2.143 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 97 -11.207 -3.422 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -11.859 -1.385 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.214 -0.837 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.879 -0.672 -7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.288 -0.123 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.052 -1.812 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.651 -0.605 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.770 1.632 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.026 1.288 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.378 1.297 -6.343 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.169 -2.956 -8.454 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.450 -3.314 -9.839 1.00 0.00 C ATOM 1050 C TYR A 98 -10.508 -4.834 -10.007 1.00 0.00 C ATOM 1051 O TYR A 98 -11.509 -5.362 -10.491 1.00 0.00 O ATOM 1052 CB TYR A 98 -9.409 -2.678 -10.764 1.00 0.00 C ATOM 1053 CG TYR A 98 -9.917 -2.467 -12.171 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -10.782 -1.386 -12.432 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -9.515 -3.322 -13.214 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -11.233 -1.148 -13.741 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -9.948 -3.074 -14.530 1.00 0.00 C ATOM 1058 CZ TYR A 98 -10.807 -1.983 -14.795 1.00 0.00 C ATOM 1059 OH TYR A 98 -11.200 -1.716 -16.069 1.00 0.00 O ATOM 0 H TYR A 98 -9.287 -2.459 -8.327 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.430 -2.924 -10.116 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.100 -1.719 -10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.523 -3.313 -10.795 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.098 -0.740 -11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.875 -4.167 -13.005 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.905 -0.327 -13.940 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.625 -3.716 -15.336 1.00 0.00 H new ATOM 0 HH TYR A 98 -10.819 -2.385 -16.676 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.478 -5.548 -9.535 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.473 -7.011 -9.557 1.00 0.00 C ATOM 1071 C PHE A 99 -10.687 -7.594 -8.821 1.00 0.00 C ATOM 1072 O PHE A 99 -11.372 -8.455 -9.380 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.152 -7.553 -8.993 1.00 0.00 C ATOM 1074 CG PHE A 99 -8.094 -9.071 -8.905 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -8.452 -9.868 -10.012 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.712 -9.693 -7.700 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -8.450 -11.270 -9.908 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -7.695 -11.096 -7.601 1.00 0.00 C ATOM 1079 CZ PHE A 99 -8.071 -11.884 -8.702 1.00 0.00 C ATOM 0 H PHE A 99 -8.637 -5.133 -9.133 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.553 -7.333 -10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.331 -7.204 -9.619 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.995 -7.135 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.729 -9.399 -10.944 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.431 -9.090 -6.849 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.740 -11.875 -10.755 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.393 -11.568 -6.678 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.069 -12.961 -8.621 1.00 0.00 H new ATOM 1089 N LYS A 100 -11.001 -7.101 -7.609 1.00 0.00 N ATOM 1090 CA LYS A 100 -12.192 -7.543 -6.870 1.00 0.00 C ATOM 1091 C LYS A 100 -13.475 -7.292 -7.668 1.00 0.00 C ATOM 1092 O LYS A 100 -14.307 -8.184 -7.755 1.00 0.00 O ATOM 1093 CB LYS A 100 -12.219 -6.983 -5.428 1.00 0.00 C ATOM 1094 CG LYS A 100 -13.265 -5.885 -5.169 1.00 0.00 C ATOM 1095 CD LYS A 100 -13.094 -5.172 -3.821 1.00 0.00 C ATOM 1096 CE LYS A 100 -13.490 -3.692 -3.967 1.00 0.00 C ATOM 1097 NZ LYS A 100 -14.586 -3.300 -3.053 1.00 0.00 N ATOM 0 H LYS A 100 -10.445 -6.397 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 100 -12.133 -8.625 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -12.403 -7.807 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.232 -6.585 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -13.209 -5.147 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.260 -6.327 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -13.713 -5.652 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.060 -5.251 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.619 -3.066 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.795 -3.502 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.812 -2.295 -3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -15.428 -3.876 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -14.289 -3.454 -2.068 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.634 -6.113 -8.277 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.839 -5.741 -9.012 1.00 0.00 C ATOM 1113 C TYR A 101 -15.054 -6.661 -10.219 1.00 0.00 C ATOM 1114 O TYR A 101 -16.156 -7.181 -10.412 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.750 -4.257 -9.403 1.00 0.00 C ATOM 1116 CG TYR A 101 -15.994 -3.707 -10.076 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.243 -3.790 -9.429 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -15.899 -3.108 -11.347 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.405 -3.315 -10.068 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.055 -2.616 -11.982 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.310 -2.735 -11.352 1.00 0.00 C ATOM 1122 OH TYR A 101 -19.425 -2.321 -12.009 1.00 0.00 O ATOM 0 H TYR A 101 -12.920 -5.385 -8.271 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.715 -5.871 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.547 -3.670 -8.507 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.900 -4.121 -10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -17.310 -4.219 -8.440 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.939 -3.026 -11.835 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.364 -3.394 -9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.980 -2.147 -12.952 1.00 0.00 H new ATOM 0 HH TYR A 101 -19.172 -1.946 -12.878 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.981 -6.935 -10.973 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.010 -7.874 -12.090 1.00 0.00 C ATOM 1134 C LEU A 102 -14.327 -9.307 -11.630 1.00 0.00 C ATOM 1135 O LEU A 102 -15.222 -9.935 -12.199 1.00 0.00 O ATOM 1136 CB LEU A 102 -12.686 -7.794 -12.871 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.420 -6.434 -13.554 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -11.131 -6.528 -14.372 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -13.575 -5.983 -14.454 1.00 0.00 C ATOM 0 H LEU A 102 -13.068 -6.507 -10.821 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.821 -7.590 -12.760 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.864 -8.009 -12.188 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.681 -8.574 -13.632 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.324 -5.685 -12.768 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.937 -5.571 -14.857 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.299 -6.776 -13.713 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.237 -7.304 -15.130 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.330 -5.022 -14.906 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.735 -6.723 -15.239 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.483 -5.883 -13.859 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.637 -9.821 -10.600 1.00 0.00 N ATOM 1152 CA LEU A 103 -13.880 -11.176 -10.081 1.00 0.00 C ATOM 1153 C LEU A 103 -15.292 -11.317 -9.466 1.00 0.00 C ATOM 1154 O LEU A 103 -15.924 -12.358 -9.629 1.00 0.00 O ATOM 1155 CB LEU A 103 -12.714 -11.619 -9.158 1.00 0.00 C ATOM 1156 CG LEU A 103 -12.966 -11.513 -7.638 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -13.665 -12.771 -7.092 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -11.670 -11.289 -6.852 1.00 0.00 C ATOM 0 H LEU A 103 -12.901 -9.314 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.885 -11.882 -10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.467 -12.654 -9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.837 -11.019 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.615 -10.648 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.826 -12.661 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.625 -12.900 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.039 -13.644 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.897 -11.221 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.990 -12.123 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.199 -10.363 -7.183 1.00 0.00 H new ATOM 1170 N SER A 104 -15.809 -10.275 -8.803 1.00 0.00 N ATOM 1171 CA SER A 104 -17.128 -10.274 -8.162 1.00 0.00 C ATOM 1172 C SER A 104 -18.262 -10.386 -9.176 1.00 0.00 C ATOM 1173 O SER A 104 -19.177 -11.183 -8.974 1.00 0.00 O ATOM 1174 CB SER A 104 -17.332 -9.006 -7.325 1.00 0.00 C ATOM 1175 OG SER A 104 -16.687 -9.143 -6.076 1.00 0.00 O ATOM 0 H SER A 104 -15.311 -9.391 -8.696 1.00 0.00 H new ATOM 0 HA SER A 104 -17.155 -11.151 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.934 -8.142 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 104 -18.397 -8.826 -7.176 1.00 0.00 H new ATOM 0 HG SER A 104 -15.746 -8.883 -6.163 1.00 0.00 H new ATOM 1181 N ASN A 105 -18.222 -9.605 -10.264 1.00 0.00 N ATOM 1182 CA ASN A 105 -19.232 -9.696 -11.323 1.00 0.00 C ATOM 1183 C ASN A 105 -19.298 -11.093 -11.963 1.00 0.00 C ATOM 1184 O ASN A 105 -20.392 -11.546 -12.298 1.00 0.00 O ATOM 1185 CB ASN A 105 -18.985 -8.610 -12.384 1.00 0.00 C ATOM 1186 CG ASN A 105 -19.893 -7.407 -12.180 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -19.513 -6.381 -11.641 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -21.136 -7.510 -12.607 1.00 0.00 N ATOM 0 H ASN A 105 -17.501 -8.904 -10.432 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.204 -9.527 -10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.944 -8.291 -12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.151 -9.027 -13.377 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.783 -6.730 -12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.451 -8.369 -13.057 1.00 0.00 H new ATOM 1195 N TYR A 106 -18.157 -11.783 -12.105 1.00 0.00 N ATOM 1196 CA TYR A 106 -18.117 -13.162 -12.599 1.00 0.00 C ATOM 1197 C TYR A 106 -18.915 -14.143 -11.723 1.00 0.00 C ATOM 1198 O TYR A 106 -19.571 -15.036 -12.260 1.00 0.00 O ATOM 1199 CB TYR A 106 -16.657 -13.633 -12.747 1.00 0.00 C ATOM 1200 CG TYR A 106 -15.994 -13.266 -14.061 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -16.568 -13.699 -15.272 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -14.785 -12.538 -14.080 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -15.956 -13.385 -16.498 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -14.158 -12.238 -15.305 1.00 0.00 C ATOM 1205 CZ TYR A 106 -14.749 -12.658 -16.518 1.00 0.00 C ATOM 1206 OH TYR A 106 -14.153 -12.398 -17.712 1.00 0.00 O ATOM 0 H TYR A 106 -17.239 -11.399 -11.880 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.601 -13.159 -13.576 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.070 -13.210 -11.931 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -16.627 -14.717 -12.633 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -17.482 -14.274 -15.259 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -14.339 -12.210 -13.153 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -16.411 -13.701 -17.425 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.228 -11.689 -15.317 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.330 -11.887 -17.562 1.00 0.00 H new ATOM 1216 N SER A 107 -18.875 -13.996 -10.390 1.00 0.00 N ATOM 1217 CA SER A 107 -19.624 -14.850 -9.460 1.00 0.00 C ATOM 1218 C SER A 107 -19.692 -14.237 -8.059 1.00 0.00 C ATOM 1219 O SER A 107 -18.661 -14.054 -7.405 1.00 0.00 O ATOM 1220 CB SER A 107 -18.978 -16.239 -9.369 1.00 0.00 C ATOM 1221 OG SER A 107 -19.766 -17.081 -8.545 1.00 0.00 O ATOM 0 H SER A 107 -18.319 -13.277 -9.926 1.00 0.00 H new ATOM 0 HA SER A 107 -20.638 -14.938 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.885 -16.673 -10.365 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.970 -16.156 -8.962 1.00 0.00 H new ATOM 0 HG SER A 107 -19.351 -17.967 -8.491 1.00 0.00 H new ATOM 1227 N SER A 108 -20.912 -13.964 -7.588 1.00 0.00 N ATOM 1228 CA SER A 108 -21.200 -13.394 -6.275 1.00 0.00 C ATOM 1229 C SER A 108 -22.093 -14.312 -5.434 1.00 0.00 C ATOM 1230 O SER A 108 -22.799 -15.183 -5.946 1.00 0.00 O ATOM 1231 CB SER A 108 -21.847 -12.011 -6.435 1.00 0.00 C ATOM 1232 OG SER A 108 -23.044 -12.099 -7.187 1.00 0.00 O ATOM 0 H SER A 108 -21.755 -14.142 -8.133 1.00 0.00 H new ATOM 0 HA SER A 108 -20.255 -13.290 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 108 -22.060 -11.588 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 108 -21.151 -11.334 -6.930 1.00 0.00 H new ATOM 0 HG SER A 108 -23.441 -11.207 -7.276 1.00 0.00 H new ATOM 1238 N VAL A 109 -22.056 -14.080 -4.118 1.00 0.00 N ATOM 1239 CA VAL A 109 -22.818 -14.796 -3.093 1.00 0.00 C ATOM 1240 C VAL A 109 -23.262 -13.817 -1.989 1.00 0.00 C ATOM 1241 O VAL A 109 -22.441 -13.123 -1.381 1.00 0.00 O ATOM 1242 CB VAL A 109 -22.022 -15.997 -2.527 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -21.998 -17.169 -3.524 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -20.566 -15.670 -2.148 1.00 0.00 C ATOM 0 H VAL A 109 -21.464 -13.351 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 109 -23.714 -15.214 -3.552 1.00 0.00 H new ATOM 0 HB VAL A 109 -22.554 -16.267 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -21.432 -17.997 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -23.018 -17.494 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -21.527 -16.847 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -20.081 -16.566 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -20.030 -15.320 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -20.555 -14.892 -1.385 1.00 0.00 H new ATOM 1254 N THR A 110 -24.586 -13.709 -1.817 1.00 0.00 N ATOM 1255 CA THR A 110 -25.284 -13.004 -0.720 1.00 0.00 C ATOM 1256 C THR A 110 -25.305 -13.825 0.596 1.00 0.00 C ATOM 1257 O THR A 110 -26.125 -13.528 1.495 1.00 0.00 O ATOM 1258 CB THR A 110 -26.690 -12.626 -1.222 1.00 0.00 C ATOM 1259 OG1 THR A 110 -27.239 -11.576 -0.460 1.00 0.00 O ATOM 1260 CG2 THR A 110 -27.659 -13.814 -1.270 1.00 0.00 C ATOM 0 H THR A 110 -25.241 -14.133 -2.474 1.00 0.00 H new ATOM 0 HA THR A 110 -24.741 -12.096 -0.458 1.00 0.00 H new ATOM 0 HB THR A 110 -26.557 -12.288 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 110 -27.127 -11.771 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 110 -28.630 -13.477 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 110 -27.266 -14.577 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 110 -27.770 -14.233 -0.270 1.00 0.00 H new TER 1268 THR A 110