USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 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 Set 1.1: A 46 ASN : amide:sc= 0 X(o=0,f=0.086) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -50:sc= 0.951 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 75:sc= 0.286 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00293 K(o=-0.0029,f=-1.1) USER MOD Single : A 59 SER OG : rot 84:sc= 0.189 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 -43:sc= 0.0199 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 140:sc= -0.0288 USER MOD Single : A 84 ASN : amide:sc= -0.0731 X(o=-0.073,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.024) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0336 USER MOD Single : A 94 HIS : no HD1:sc= -0.0561 X(o=-0.056,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+ 152:sc= 0.13 (180deg=-1.03) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 88:sc= 0.0581 USER MOD Single : A 105 ASN : amide:sc= -0.0496 K(o=-0.05,f=-0.63) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 9.023 -16.143 -7.758 1.00 0.00 N ATOM 2 CA GLY A 31 8.172 -17.253 -8.224 1.00 0.00 C ATOM 3 C GLY A 31 8.385 -18.462 -7.339 1.00 0.00 C ATOM 4 O GLY A 31 9.510 -18.941 -7.283 1.00 0.00 O ATOM 0 HA2 GLY A 31 7.124 -16.955 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.413 -17.500 -9.258 1.00 0.00 H new ATOM 8 N ASN A 32 7.351 -18.926 -6.632 1.00 0.00 N ATOM 9 CA ASN A 32 7.392 -20.134 -5.804 1.00 0.00 C ATOM 10 C ASN A 32 6.054 -20.873 -5.953 1.00 0.00 C ATOM 11 O ASN A 32 5.004 -20.232 -6.020 1.00 0.00 O ATOM 12 CB ASN A 32 7.692 -19.757 -4.338 1.00 0.00 C ATOM 13 CG ASN A 32 9.130 -19.282 -4.163 1.00 0.00 C ATOM 14 OD1 ASN A 32 10.064 -20.055 -4.013 1.00 0.00 O ATOM 15 ND2 ASN A 32 9.368 -17.985 -4.213 1.00 0.00 N ATOM 0 H ASN A 32 6.443 -18.462 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 32 8.191 -20.800 -6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.007 -18.972 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.513 -20.619 -3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.323 -17.638 -4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.597 -17.329 -4.338 1.00 0.00 H new ATOM 22 N GLY A 33 6.107 -22.207 -6.035 1.00 0.00 N ATOM 23 CA GLY A 33 4.930 -23.078 -6.085 1.00 0.00 C ATOM 24 C GLY A 33 4.234 -23.217 -4.724 1.00 0.00 C ATOM 25 O GLY A 33 4.651 -22.629 -3.727 1.00 0.00 O ATOM 0 H GLY A 33 6.988 -22.721 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.221 -22.681 -6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.229 -24.065 -6.437 1.00 0.00 H new ATOM 29 N SER A 34 3.176 -24.036 -4.681 1.00 0.00 N ATOM 30 CA SER A 34 2.337 -24.231 -3.493 1.00 0.00 C ATOM 31 C SER A 34 2.461 -25.668 -2.971 1.00 0.00 C ATOM 32 O SER A 34 1.695 -26.551 -3.353 1.00 0.00 O ATOM 33 CB SER A 34 0.891 -23.817 -3.800 1.00 0.00 C ATOM 34 OG SER A 34 0.237 -23.427 -2.609 1.00 0.00 O ATOM 0 H SER A 34 2.875 -24.590 -5.483 1.00 0.00 H new ATOM 0 HA SER A 34 2.686 -23.587 -2.686 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.883 -22.994 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.357 -24.647 -4.263 1.00 0.00 H new ATOM 0 HG SER A 34 -0.684 -23.163 -2.813 1.00 0.00 H new ATOM 40 N THR A 35 3.470 -25.901 -2.122 1.00 0.00 N ATOM 41 CA THR A 35 3.838 -27.211 -1.548 1.00 0.00 C ATOM 42 C THR A 35 3.959 -27.172 -0.018 1.00 0.00 C ATOM 43 O THR A 35 4.764 -27.904 0.565 1.00 0.00 O ATOM 44 CB THR A 35 5.109 -27.767 -2.227 1.00 0.00 C ATOM 45 OG1 THR A 35 5.361 -29.067 -1.744 1.00 0.00 O ATOM 46 CG2 THR A 35 6.374 -26.939 -1.977 1.00 0.00 C ATOM 0 H THR A 35 4.082 -25.151 -1.799 1.00 0.00 H new ATOM 0 HA THR A 35 3.022 -27.902 -1.758 1.00 0.00 H new ATOM 0 HB THR A 35 4.904 -27.742 -3.297 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.329 -29.064 -0.765 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.218 -27.400 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.228 -25.928 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.577 -26.899 -0.907 1.00 0.00 H new ATOM 54 N ILE A 36 3.177 -26.305 0.630 1.00 0.00 N ATOM 55 CA ILE A 36 3.183 -26.101 2.081 1.00 0.00 C ATOM 56 C ILE A 36 2.004 -26.872 2.706 1.00 0.00 C ATOM 57 O ILE A 36 1.006 -27.153 2.041 1.00 0.00 O ATOM 58 CB ILE A 36 3.188 -24.583 2.413 1.00 0.00 C ATOM 59 CG1 ILE A 36 4.238 -23.799 1.579 1.00 0.00 C ATOM 60 CG2 ILE A 36 3.508 -24.368 3.906 1.00 0.00 C ATOM 61 CD1 ILE A 36 3.673 -23.199 0.279 1.00 0.00 C ATOM 0 H ILE A 36 2.504 -25.710 0.147 1.00 0.00 H new ATOM 0 HA ILE A 36 4.095 -26.503 2.523 1.00 0.00 H new ATOM 0 HB ILE A 36 2.195 -24.208 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.649 -22.996 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.064 -24.466 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.509 -23.301 4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.753 -24.865 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.489 -24.786 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.464 -22.667 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.288 -23.999 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.866 -22.506 0.519 1.00 0.00 H new ATOM 73 N THR A 37 2.133 -27.245 3.983 1.00 0.00 N ATOM 74 CA THR A 37 1.078 -27.875 4.791 1.00 0.00 C ATOM 75 C THR A 37 -0.119 -26.936 4.993 1.00 0.00 C ATOM 76 O THR A 37 -0.050 -25.757 4.675 1.00 0.00 O ATOM 77 CB THR A 37 1.619 -28.292 6.179 1.00 0.00 C ATOM 78 OG1 THR A 37 2.995 -28.022 6.350 1.00 0.00 O ATOM 79 CG2 THR A 37 1.413 -29.785 6.412 1.00 0.00 C ATOM 0 H THR A 37 3.001 -27.114 4.502 1.00 0.00 H new ATOM 0 HA THR A 37 0.749 -28.757 4.242 1.00 0.00 H new ATOM 0 HB THR A 37 1.056 -27.695 6.897 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.275 -28.306 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.801 -30.057 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.349 -30.017 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.942 -30.349 5.644 1.00 0.00 H new ATOM 87 N PHE A 38 -1.208 -27.420 5.601 1.00 0.00 N ATOM 88 CA PHE A 38 -2.372 -26.584 5.925 1.00 0.00 C ATOM 89 C PHE A 38 -2.113 -25.534 7.027 1.00 0.00 C ATOM 90 O PHE A 38 -2.904 -24.604 7.164 1.00 0.00 O ATOM 91 CB PHE A 38 -3.549 -27.496 6.307 1.00 0.00 C ATOM 92 CG PHE A 38 -3.255 -28.445 7.457 1.00 0.00 C ATOM 93 CD1 PHE A 38 -3.190 -27.960 8.779 1.00 0.00 C ATOM 94 CD2 PHE A 38 -2.990 -29.805 7.202 1.00 0.00 C ATOM 95 CE1 PHE A 38 -2.835 -28.818 9.832 1.00 0.00 C ATOM 96 CE2 PHE A 38 -2.649 -30.668 8.259 1.00 0.00 C ATOM 97 CZ PHE A 38 -2.566 -30.174 9.572 1.00 0.00 C ATOM 0 H PHE A 38 -1.308 -28.396 5.881 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.606 -26.004 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.404 -26.874 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.839 -28.080 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.414 -26.923 8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.049 -30.186 6.193 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.769 -28.437 10.841 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.451 -31.711 8.061 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.296 -30.836 10.382 1.00 0.00 H new ATOM 107 N ASP A 39 -1.032 -25.662 7.813 1.00 0.00 N ATOM 108 CA ASP A 39 -0.708 -24.768 8.937 1.00 0.00 C ATOM 109 C ASP A 39 -0.596 -23.301 8.498 1.00 0.00 C ATOM 110 O ASP A 39 -1.134 -22.410 9.160 1.00 0.00 O ATOM 111 CB ASP A 39 0.600 -25.233 9.597 1.00 0.00 C ATOM 112 CG ASP A 39 0.837 -24.537 10.943 1.00 0.00 C ATOM 113 OD1 ASP A 39 0.146 -24.929 11.911 1.00 0.00 O ATOM 114 OD2 ASP A 39 1.700 -23.631 10.994 1.00 0.00 O ATOM 0 H ASP A 39 -0.345 -26.405 7.683 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.525 -24.821 9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.568 -26.312 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.437 -25.028 8.929 1.00 0.00 H new ATOM 119 N GLU A 40 0.025 -23.075 7.330 1.00 0.00 N ATOM 120 CA GLU A 40 0.099 -21.772 6.670 1.00 0.00 C ATOM 121 C GLU A 40 -1.290 -21.143 6.529 1.00 0.00 C ATOM 122 O GLU A 40 -1.483 -20.025 7.000 1.00 0.00 O ATOM 123 CB GLU A 40 0.849 -21.877 5.324 1.00 0.00 C ATOM 124 CG GLU A 40 0.176 -22.771 4.260 1.00 0.00 C ATOM 125 CD GLU A 40 -0.475 -22.050 3.073 1.00 0.00 C ATOM 126 OE1 GLU A 40 -0.823 -20.860 3.213 1.00 0.00 O ATOM 127 OE2 GLU A 40 -0.647 -22.700 2.018 1.00 0.00 O ATOM 0 H GLU A 40 0.499 -23.813 6.810 1.00 0.00 H new ATOM 0 HA GLU A 40 0.679 -21.098 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.964 -20.874 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.852 -22.260 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.925 -23.461 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.587 -23.373 4.753 1.00 0.00 H new ATOM 134 N LEU A 41 -2.267 -21.883 5.983 1.00 0.00 N ATOM 135 CA LEU A 41 -3.639 -21.431 5.758 1.00 0.00 C ATOM 136 C LEU A 41 -4.304 -21.027 7.070 1.00 0.00 C ATOM 137 O LEU A 41 -4.919 -19.961 7.132 1.00 0.00 O ATOM 138 CB LEU A 41 -4.482 -22.523 5.069 1.00 0.00 C ATOM 139 CG LEU A 41 -3.984 -22.980 3.688 1.00 0.00 C ATOM 140 CD1 LEU A 41 -4.826 -24.171 3.219 1.00 0.00 C ATOM 141 CD2 LEU A 41 -4.095 -21.863 2.648 1.00 0.00 C ATOM 0 H LEU A 41 -2.113 -22.844 5.677 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.588 -20.562 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.523 -23.392 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.503 -22.155 4.963 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.934 -23.257 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.478 -24.500 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.728 -24.989 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.872 -23.873 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.733 -22.225 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.137 -21.557 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.494 -21.010 2.964 1.00 0.00 H new ATOM 153 N GLN A 42 -4.161 -21.864 8.110 1.00 0.00 N ATOM 154 CA GLN A 42 -4.679 -21.579 9.446 1.00 0.00 C ATOM 155 C GLN A 42 -4.115 -20.255 9.967 1.00 0.00 C ATOM 156 O GLN A 42 -4.881 -19.310 10.161 1.00 0.00 O ATOM 157 CB GLN A 42 -4.413 -22.733 10.433 1.00 0.00 C ATOM 158 CG GLN A 42 -5.026 -24.065 9.978 1.00 0.00 C ATOM 159 CD GLN A 42 -5.191 -25.069 11.119 1.00 0.00 C ATOM 160 OE1 GLN A 42 -4.339 -25.265 11.972 1.00 0.00 O ATOM 161 NE2 GLN A 42 -6.311 -25.761 11.171 1.00 0.00 N ATOM 0 H GLN A 42 -3.679 -22.761 8.041 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.762 -21.484 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.337 -22.858 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.817 -22.468 11.410 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.999 -23.875 9.526 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.395 -24.503 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.035 -25.613 10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.454 -26.445 11.914 1.00 0.00 H new ATOM 170 N GLY A 43 -2.790 -20.155 10.150 1.00 0.00 N ATOM 171 CA GLY A 43 -2.139 -18.937 10.649 1.00 0.00 C ATOM 172 C GLY A 43 -2.397 -17.696 9.776 1.00 0.00 C ATOM 173 O GLY A 43 -2.528 -16.578 10.294 1.00 0.00 O ATOM 0 H GLY A 43 -2.140 -20.917 9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.489 -18.737 11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.065 -19.109 10.712 1.00 0.00 H new ATOM 177 N LEU A 44 -2.525 -17.892 8.454 1.00 0.00 N ATOM 178 CA LEU A 44 -2.873 -16.854 7.488 1.00 0.00 C ATOM 179 C LEU A 44 -4.241 -16.225 7.778 1.00 0.00 C ATOM 180 O LEU A 44 -4.334 -15.038 8.109 1.00 0.00 O ATOM 181 CB LEU A 44 -2.847 -17.400 6.050 1.00 0.00 C ATOM 182 CG LEU A 44 -1.471 -17.342 5.368 1.00 0.00 C ATOM 183 CD1 LEU A 44 -1.582 -18.037 4.017 1.00 0.00 C ATOM 184 CD2 LEU A 44 -1.005 -15.899 5.143 1.00 0.00 C ATOM 0 H LEU A 44 -2.384 -18.805 8.022 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.117 -16.075 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.188 -18.435 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.560 -16.836 5.448 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.743 -17.832 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.616 -18.009 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.884 -19.074 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.326 -17.526 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.028 -15.903 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.723 -15.380 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.932 -15.386 6.102 1.00 0.00 H new ATOM 196 N VAL A 45 -5.321 -16.999 7.618 1.00 0.00 N ATOM 197 CA VAL A 45 -6.677 -16.473 7.825 1.00 0.00 C ATOM 198 C VAL A 45 -6.931 -16.089 9.288 1.00 0.00 C ATOM 199 O VAL A 45 -7.712 -15.174 9.538 1.00 0.00 O ATOM 200 CB VAL A 45 -7.735 -17.448 7.279 1.00 0.00 C ATOM 201 CG1 VAL A 45 -7.867 -18.722 8.123 1.00 0.00 C ATOM 202 CG2 VAL A 45 -9.106 -16.768 7.165 1.00 0.00 C ATOM 0 H VAL A 45 -5.285 -17.982 7.349 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.764 -15.549 7.254 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.387 -17.741 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.628 -19.370 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.912 -19.247 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.155 -18.456 9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.834 -17.480 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.424 -16.424 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.035 -15.917 6.488 1.00 0.00 H new ATOM 212 N ASN A 46 -6.228 -16.722 10.239 1.00 0.00 N ATOM 213 CA ASN A 46 -6.271 -16.394 11.660 1.00 0.00 C ATOM 214 C ASN A 46 -5.918 -14.917 11.921 1.00 0.00 C ATOM 215 O ASN A 46 -6.774 -14.167 12.391 1.00 0.00 O ATOM 216 CB ASN A 46 -5.358 -17.375 12.416 1.00 0.00 C ATOM 217 CG ASN A 46 -5.278 -17.079 13.900 1.00 0.00 C ATOM 218 OD1 ASN A 46 -6.258 -17.164 14.628 1.00 0.00 O ATOM 219 ND2 ASN A 46 -4.101 -16.736 14.383 1.00 0.00 N ATOM 0 H ASN A 46 -5.599 -17.496 10.028 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.288 -16.509 12.034 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.726 -18.391 12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.356 -17.335 11.988 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.996 -16.537 15.378 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.294 -16.670 13.762 1.00 0.00 H new ATOM 226 N SER A 47 -4.673 -14.509 11.617 1.00 0.00 N ATOM 227 CA SER A 47 -4.155 -13.172 11.959 1.00 0.00 C ATOM 228 C SER A 47 -3.142 -12.624 10.936 1.00 0.00 C ATOM 229 O SER A 47 -2.174 -11.971 11.321 1.00 0.00 O ATOM 230 CB SER A 47 -3.538 -13.172 13.371 1.00 0.00 C ATOM 231 OG SER A 47 -4.463 -13.510 14.383 1.00 0.00 O ATOM 0 H SER A 47 -3.998 -15.096 11.128 1.00 0.00 H new ATOM 0 HA SER A 47 -5.014 -12.502 11.934 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.707 -13.877 13.397 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.125 -12.185 13.580 1.00 0.00 H new ATOM 0 HG SER A 47 -4.015 -13.495 15.254 1.00 0.00 H new ATOM 237 N THR A 48 -3.357 -12.866 9.636 1.00 0.00 N ATOM 238 CA THR A 48 -2.478 -12.373 8.557 1.00 0.00 C ATOM 239 C THR A 48 -3.277 -11.674 7.454 1.00 0.00 C ATOM 240 O THR A 48 -2.996 -10.522 7.132 1.00 0.00 O ATOM 241 CB THR A 48 -1.626 -13.509 7.964 1.00 0.00 C ATOM 242 OG1 THR A 48 -1.065 -14.327 8.975 1.00 0.00 O ATOM 243 CG2 THR A 48 -0.500 -13.009 7.059 1.00 0.00 C ATOM 0 H THR A 48 -4.149 -13.412 9.297 1.00 0.00 H new ATOM 0 HA THR A 48 -1.807 -11.640 9.004 1.00 0.00 H new ATOM 0 HB THR A 48 -2.319 -14.092 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.760 -14.909 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.062 -13.860 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.924 -12.448 6.227 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.166 -12.363 7.630 1.00 0.00 H new ATOM 251 N VAL A 49 -4.300 -12.341 6.895 1.00 0.00 N ATOM 252 CA VAL A 49 -5.183 -11.741 5.879 1.00 0.00 C ATOM 253 C VAL A 49 -6.110 -10.701 6.494 1.00 0.00 C ATOM 254 O VAL A 49 -6.152 -9.586 5.985 1.00 0.00 O ATOM 255 CB VAL A 49 -5.964 -12.816 5.095 1.00 0.00 C ATOM 256 CG1 VAL A 49 -7.305 -12.333 4.513 1.00 0.00 C ATOM 257 CG2 VAL A 49 -5.094 -13.288 3.924 1.00 0.00 C ATOM 0 H VAL A 49 -4.538 -13.304 7.132 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.549 -11.223 5.159 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.192 -13.608 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.786 -13.152 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.953 -11.998 5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.127 -11.506 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.629 -14.049 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.869 -12.442 3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.164 -13.708 4.308 1.00 0.00 H new ATOM 267 N THR A 50 -6.833 -11.039 7.571 1.00 0.00 N ATOM 268 CA THR A 50 -7.811 -10.141 8.214 1.00 0.00 C ATOM 269 C THR A 50 -7.225 -8.745 8.475 1.00 0.00 C ATOM 270 O THR A 50 -7.851 -7.730 8.172 1.00 0.00 O ATOM 271 CB THR A 50 -8.386 -10.789 9.487 1.00 0.00 C ATOM 272 OG1 THR A 50 -9.450 -10.004 9.964 1.00 0.00 O ATOM 273 CG2 THR A 50 -7.377 -10.971 10.624 1.00 0.00 C ATOM 0 H THR A 50 -6.757 -11.949 8.026 1.00 0.00 H new ATOM 0 HA THR A 50 -8.639 -9.992 7.522 1.00 0.00 H new ATOM 0 HB THR A 50 -8.706 -11.788 9.191 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.821 -10.413 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.871 -11.434 11.478 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.560 -11.610 10.287 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.980 -9.999 10.917 1.00 0.00 H new ATOM 281 N GLN A 51 -5.967 -8.699 8.927 1.00 0.00 N ATOM 282 CA GLN A 51 -5.228 -7.475 9.208 1.00 0.00 C ATOM 283 C GLN A 51 -5.025 -6.606 7.957 1.00 0.00 C ATOM 284 O GLN A 51 -5.173 -5.387 8.039 1.00 0.00 O ATOM 285 CB GLN A 51 -3.908 -7.857 9.903 1.00 0.00 C ATOM 286 CG GLN A 51 -3.383 -6.765 10.850 1.00 0.00 C ATOM 287 CD GLN A 51 -2.655 -5.609 10.164 1.00 0.00 C ATOM 288 OE1 GLN A 51 -2.255 -5.668 9.013 1.00 0.00 O ATOM 289 NE2 GLN A 51 -2.423 -4.521 10.872 1.00 0.00 N ATOM 0 H GLN A 51 -5.423 -9.542 9.111 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.810 -6.844 9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.055 -8.778 10.467 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.153 -8.065 9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.223 -6.361 11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.706 -7.225 11.570 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.752 -4.460 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.914 -3.741 10.456 1.00 0.00 H new ATOM 298 N ALA A 52 -4.777 -7.221 6.791 1.00 0.00 N ATOM 299 CA ALA A 52 -4.552 -6.538 5.519 1.00 0.00 C ATOM 300 C ALA A 52 -5.753 -5.676 5.098 1.00 0.00 C ATOM 301 O ALA A 52 -5.575 -4.524 4.691 1.00 0.00 O ATOM 302 CB ALA A 52 -4.223 -7.582 4.441 1.00 0.00 C ATOM 0 H ALA A 52 -4.727 -8.237 6.710 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.712 -5.855 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.054 -7.080 3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.325 -8.130 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.056 -8.277 4.342 1.00 0.00 H new ATOM 308 N ILE A 53 -6.977 -6.222 5.221 1.00 0.00 N ATOM 309 CA ILE A 53 -8.221 -5.482 4.967 1.00 0.00 C ATOM 310 C ILE A 53 -8.304 -4.270 5.900 1.00 0.00 C ATOM 311 O ILE A 53 -8.419 -3.139 5.428 1.00 0.00 O ATOM 312 CB ILE A 53 -9.483 -6.378 5.090 1.00 0.00 C ATOM 313 CG1 ILE A 53 -9.441 -7.568 4.101 1.00 0.00 C ATOM 314 CG2 ILE A 53 -10.749 -5.539 4.830 1.00 0.00 C ATOM 315 CD1 ILE A 53 -8.924 -8.858 4.746 1.00 0.00 C ATOM 0 H ILE A 53 -7.128 -7.191 5.500 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.196 -5.135 3.934 1.00 0.00 H new ATOM 0 HB ILE A 53 -9.504 -6.781 6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.442 -7.741 3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.804 -7.309 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -11.631 -6.174 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.808 -4.733 5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.705 -5.116 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.917 -9.658 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.912 -8.699 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.575 -9.137 5.574 1.00 0.00 H new ATOM 327 N LEU A 54 -8.206 -4.507 7.215 1.00 0.00 N ATOM 328 CA LEU A 54 -8.291 -3.466 8.243 1.00 0.00 C ATOM 329 C LEU A 54 -7.284 -2.345 7.988 1.00 0.00 C ATOM 330 O LEU A 54 -7.657 -1.172 8.078 1.00 0.00 O ATOM 331 CB LEU A 54 -8.011 -4.053 9.636 1.00 0.00 C ATOM 332 CG LEU A 54 -8.907 -5.225 10.074 1.00 0.00 C ATOM 333 CD1 LEU A 54 -8.227 -6.012 11.204 1.00 0.00 C ATOM 334 CD2 LEU A 54 -10.317 -4.770 10.481 1.00 0.00 C ATOM 0 H LEU A 54 -8.063 -5.442 7.598 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.303 -3.062 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.974 -4.386 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.110 -3.254 10.370 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.036 -5.881 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.868 -6.840 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.272 -6.403 10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.057 -5.353 12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.907 -5.636 10.781 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.247 -4.072 11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.799 -4.278 9.636 1.00 0.00 H new ATOM 346 N PHE A 55 -6.024 -2.716 7.710 1.00 0.00 N ATOM 347 CA PHE A 55 -4.926 -1.809 7.399 1.00 0.00 C ATOM 348 C PHE A 55 -5.243 -0.992 6.150 1.00 0.00 C ATOM 349 O PHE A 55 -5.274 0.227 6.237 1.00 0.00 O ATOM 350 CB PHE A 55 -3.598 -2.576 7.272 1.00 0.00 C ATOM 351 CG PHE A 55 -2.370 -1.687 7.374 1.00 0.00 C ATOM 352 CD1 PHE A 55 -2.088 -1.030 8.588 1.00 0.00 C ATOM 353 CD2 PHE A 55 -1.500 -1.521 6.278 1.00 0.00 C ATOM 354 CE1 PHE A 55 -0.955 -0.206 8.705 1.00 0.00 C ATOM 355 CE2 PHE A 55 -0.360 -0.703 6.397 1.00 0.00 C ATOM 356 CZ PHE A 55 -0.090 -0.044 7.609 1.00 0.00 C ATOM 0 H PHE A 55 -5.739 -3.695 7.697 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.808 -1.107 8.224 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.551 -3.337 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.580 -3.098 6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.746 -1.160 9.434 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.708 -2.022 5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.750 0.302 9.636 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.307 -0.582 5.557 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.782 0.587 7.698 1.00 0.00 H new ATOM 366 N GLY A 56 -5.565 -1.634 5.017 1.00 0.00 N ATOM 367 CA GLY A 56 -5.936 -0.934 3.784 1.00 0.00 C ATOM 368 C GLY A 56 -7.052 0.103 3.975 1.00 0.00 C ATOM 369 O GLY A 56 -6.942 1.215 3.452 1.00 0.00 O ATOM 0 H GLY A 56 -5.575 -2.650 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.055 -0.436 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.256 -1.667 3.043 1.00 0.00 H new ATOM 373 N VAL A 57 -8.089 -0.235 4.758 1.00 0.00 N ATOM 374 CA VAL A 57 -9.216 0.659 5.081 1.00 0.00 C ATOM 375 C VAL A 57 -8.725 1.919 5.802 1.00 0.00 C ATOM 376 O VAL A 57 -8.855 3.029 5.278 1.00 0.00 O ATOM 377 CB VAL A 57 -10.287 -0.068 5.928 1.00 0.00 C ATOM 378 CG1 VAL A 57 -11.422 0.883 6.341 1.00 0.00 C ATOM 379 CG2 VAL A 57 -10.908 -1.270 5.199 1.00 0.00 C ATOM 0 H VAL A 57 -8.170 -1.154 5.193 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.678 0.958 4.140 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.759 -0.427 6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.156 0.338 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.013 1.702 6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.903 1.284 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.652 -1.741 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.385 -0.931 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.128 -1.992 4.958 1.00 0.00 H new ATOM 389 N ARG A 58 -8.161 1.749 7.011 1.00 0.00 N ATOM 390 CA ARG A 58 -7.649 2.868 7.811 1.00 0.00 C ATOM 391 C ARG A 58 -6.545 3.631 7.083 1.00 0.00 C ATOM 392 O ARG A 58 -6.527 4.849 7.201 1.00 0.00 O ATOM 393 CB ARG A 58 -7.233 2.419 9.224 1.00 0.00 C ATOM 394 CG ARG A 58 -6.081 1.402 9.241 1.00 0.00 C ATOM 395 CD ARG A 58 -5.994 0.591 10.541 1.00 0.00 C ATOM 396 NE ARG A 58 -7.195 -0.244 10.763 1.00 0.00 N ATOM 397 CZ ARG A 58 -7.691 -0.629 11.938 1.00 0.00 C ATOM 398 NH1 ARG A 58 -7.069 -0.397 13.071 1.00 0.00 N ATOM 399 NH2 ARG A 58 -8.839 -1.256 12.025 1.00 0.00 N ATOM 0 H ARG A 58 -8.049 0.838 7.456 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.469 3.573 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.939 3.296 9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.097 1.983 9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.201 0.716 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.140 1.930 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.111 -0.047 10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.866 1.271 11.383 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.695 -0.557 9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.175 0.093 13.071 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.480 -0.707 13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.374 -1.460 11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.197 -1.540 12.937 1.00 0.00 H new ATOM 413 N SER A 59 -5.705 2.961 6.285 1.00 0.00 N ATOM 414 CA SER A 59 -4.696 3.578 5.420 1.00 0.00 C ATOM 415 C SER A 59 -5.325 4.556 4.432 1.00 0.00 C ATOM 416 O SER A 59 -4.974 5.733 4.456 1.00 0.00 O ATOM 417 CB SER A 59 -3.890 2.519 4.656 1.00 0.00 C ATOM 418 OG SER A 59 -2.931 1.924 5.503 1.00 0.00 O ATOM 0 H SER A 59 -5.710 1.943 6.223 1.00 0.00 H new ATOM 0 HA SER A 59 -4.020 4.131 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.561 1.755 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.394 2.978 3.801 1.00 0.00 H new ATOM 0 HG SER A 59 -3.349 1.199 6.012 1.00 0.00 H new ATOM 424 N GLY A 60 -6.251 4.097 3.577 1.00 0.00 N ATOM 425 CA GLY A 60 -6.887 4.959 2.578 1.00 0.00 C ATOM 426 C GLY A 60 -7.652 6.128 3.208 1.00 0.00 C ATOM 427 O GLY A 60 -7.518 7.267 2.756 1.00 0.00 O ATOM 0 H GLY A 60 -6.575 3.130 3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.125 5.350 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.573 4.364 1.974 1.00 0.00 H new ATOM 431 N ALA A 61 -8.413 5.862 4.276 1.00 0.00 N ATOM 432 CA ALA A 61 -9.149 6.896 5.002 1.00 0.00 C ATOM 433 C ALA A 61 -8.208 7.919 5.666 1.00 0.00 C ATOM 434 O ALA A 61 -8.377 9.122 5.454 1.00 0.00 O ATOM 435 CB ALA A 61 -10.083 6.231 6.019 1.00 0.00 C ATOM 0 H ALA A 61 -8.534 4.924 4.659 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.749 7.463 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.634 6.998 6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.785 5.581 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.495 5.640 6.721 1.00 0.00 H new ATOM 441 N ALA A 62 -7.203 7.453 6.431 1.00 0.00 N ATOM 442 CA ALA A 62 -6.187 8.295 7.070 1.00 0.00 C ATOM 443 C ALA A 62 -5.404 9.125 6.043 1.00 0.00 C ATOM 444 O ALA A 62 -5.125 10.300 6.268 1.00 0.00 O ATOM 445 CB ALA A 62 -5.231 7.446 7.914 1.00 0.00 C ATOM 0 H ALA A 62 -7.076 6.459 6.623 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.709 8.991 7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.485 8.091 8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.794 6.925 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.732 6.717 7.276 1.00 0.00 H new ATOM 451 N ALA A 63 -5.094 8.544 4.885 1.00 0.00 N ATOM 452 CA ALA A 63 -4.494 9.268 3.781 1.00 0.00 C ATOM 453 C ALA A 63 -5.399 10.379 3.237 1.00 0.00 C ATOM 454 O ALA A 63 -4.963 11.527 3.153 1.00 0.00 O ATOM 455 CB ALA A 63 -4.128 8.275 2.696 1.00 0.00 C ATOM 0 H ALA A 63 -5.255 7.555 4.692 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.599 9.772 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.675 8.803 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.419 7.548 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.026 7.759 2.357 1.00 0.00 H new ATOM 461 N LEU A 64 -6.652 10.066 2.881 1.00 0.00 N ATOM 462 CA LEU A 64 -7.603 11.064 2.388 1.00 0.00 C ATOM 463 C LEU A 64 -7.718 12.243 3.357 1.00 0.00 C ATOM 464 O LEU A 64 -7.564 13.383 2.916 1.00 0.00 O ATOM 465 CB LEU A 64 -8.949 10.390 2.080 1.00 0.00 C ATOM 466 CG LEU A 64 -10.111 11.374 1.797 1.00 0.00 C ATOM 467 CD1 LEU A 64 -10.990 10.848 0.660 1.00 0.00 C ATOM 468 CD2 LEU A 64 -10.982 11.597 3.043 1.00 0.00 C ATOM 0 H LEU A 64 -7.030 9.120 2.927 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.237 11.489 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.824 9.737 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.224 9.755 2.922 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.665 12.326 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.802 11.551 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.390 10.739 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.405 9.880 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.786 12.293 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.408 10.646 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.370 12.010 3.845 1.00 0.00 H new ATOM 480 N THR A 65 -7.934 11.975 4.657 1.00 0.00 N ATOM 481 CA THR A 65 -8.001 13.031 5.676 1.00 0.00 C ATOM 482 C THR A 65 -6.694 13.829 5.765 1.00 0.00 C ATOM 483 O THR A 65 -6.759 15.055 5.807 1.00 0.00 O ATOM 484 CB THR A 65 -8.482 12.521 7.045 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.692 13.600 7.918 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.517 11.573 7.728 1.00 0.00 C ATOM 0 H THR A 65 -8.065 11.033 5.025 1.00 0.00 H new ATOM 0 HA THR A 65 -8.770 13.728 5.342 1.00 0.00 H new ATOM 0 HB THR A 65 -9.402 11.975 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.999 13.264 8.786 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.931 11.260 8.687 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.360 10.698 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.565 12.078 7.891 1.00 0.00 H new ATOM 494 N LEU A 66 -5.510 13.187 5.705 1.00 0.00 N ATOM 495 CA LEU A 66 -4.226 13.903 5.735 1.00 0.00 C ATOM 496 C LEU A 66 -4.066 14.847 4.531 1.00 0.00 C ATOM 497 O LEU A 66 -3.549 15.951 4.682 1.00 0.00 O ATOM 498 CB LEU A 66 -3.033 12.939 5.933 1.00 0.00 C ATOM 499 CG LEU A 66 -2.157 12.621 4.698 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.092 13.699 4.436 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.451 11.270 4.830 1.00 0.00 C ATOM 0 H LEU A 66 -5.420 12.173 5.635 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.229 14.549 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.387 13.358 6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.422 11.997 6.320 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.849 12.593 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.506 13.426 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.580 14.658 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.434 13.778 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.847 11.087 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.808 11.280 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.194 10.479 4.933 1.00 0.00 H new ATOM 513 N ILE A 67 -4.506 14.431 3.338 1.00 0.00 N ATOM 514 CA ILE A 67 -4.382 15.230 2.115 1.00 0.00 C ATOM 515 C ILE A 67 -5.290 16.458 2.216 1.00 0.00 C ATOM 516 O ILE A 67 -4.807 17.585 2.124 1.00 0.00 O ATOM 517 CB ILE A 67 -4.699 14.379 0.868 1.00 0.00 C ATOM 518 CG1 ILE A 67 -3.699 13.213 0.693 1.00 0.00 C ATOM 519 CG2 ILE A 67 -4.674 15.238 -0.410 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.303 12.039 -0.094 1.00 0.00 C ATOM 0 H ILE A 67 -4.959 13.529 3.194 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.353 15.573 2.008 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.698 13.971 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.810 13.574 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.378 12.863 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.901 14.612 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.418 16.030 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.685 15.680 -0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.562 11.246 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.176 11.657 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.600 12.380 -1.086 1.00 0.00 H new ATOM 532 N VAL A 68 -6.598 16.254 2.433 1.00 0.00 N ATOM 533 CA VAL A 68 -7.550 17.364 2.583 1.00 0.00 C ATOM 534 C VAL A 68 -7.140 18.304 3.715 1.00 0.00 C ATOM 535 O VAL A 68 -7.011 19.502 3.469 1.00 0.00 O ATOM 536 CB VAL A 68 -9.012 16.885 2.707 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.260 15.955 3.896 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.997 18.060 2.792 1.00 0.00 C ATOM 0 H VAL A 68 -7.021 15.329 2.509 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.510 17.942 1.660 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.187 16.317 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.310 15.662 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.636 15.066 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.011 16.474 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.014 17.677 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.763 18.668 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.914 18.670 1.892 1.00 0.00 H new ATOM 548 N VAL A 69 -6.866 17.789 4.924 1.00 0.00 N ATOM 549 CA VAL A 69 -6.448 18.625 6.056 1.00 0.00 C ATOM 550 C VAL A 69 -5.165 19.395 5.727 1.00 0.00 C ATOM 551 O VAL A 69 -5.062 20.564 6.081 1.00 0.00 O ATOM 552 CB VAL A 69 -6.340 17.807 7.362 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.028 17.032 7.477 1.00 0.00 C ATOM 554 CG2 VAL A 69 -6.445 18.675 8.614 1.00 0.00 C ATOM 0 H VAL A 69 -6.927 16.794 5.141 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.225 19.369 6.231 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.181 17.117 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.014 16.478 8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.943 16.335 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.190 17.729 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.362 18.046 9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.641 19.411 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.407 19.188 8.621 1.00 0.00 H new ATOM 564 N TRP A 70 -4.213 18.802 4.996 1.00 0.00 N ATOM 565 CA TRP A 70 -3.008 19.505 4.567 1.00 0.00 C ATOM 566 C TRP A 70 -3.314 20.670 3.614 1.00 0.00 C ATOM 567 O TRP A 70 -2.715 21.734 3.757 1.00 0.00 O ATOM 568 CB TRP A 70 -2.003 18.510 3.970 1.00 0.00 C ATOM 569 CG TRP A 70 -0.800 19.128 3.330 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.334 18.819 2.100 1.00 0.00 C ATOM 571 CD2 TRP A 70 0.051 20.209 3.823 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.731 19.641 1.791 1.00 0.00 N ATOM 573 CE2 TRP A 70 1.006 20.524 2.814 1.00 0.00 C ATOM 574 CE3 TRP A 70 0.092 20.981 5.003 1.00 0.00 C ATOM 575 CZ2 TRP A 70 1.951 21.551 2.962 1.00 0.00 C ATOM 576 CZ3 TRP A 70 0.992 22.054 5.138 1.00 0.00 C ATOM 577 CH2 TRP A 70 1.927 22.334 4.129 1.00 0.00 C ATOM 0 H TRP A 70 -4.259 17.830 4.690 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.553 19.961 5.446 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -1.669 17.837 4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.517 17.900 3.227 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.733 18.048 1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.251 19.600 0.914 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.578 20.745 5.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 2.685 21.737 2.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 0.963 22.668 6.026 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.626 23.149 4.249 1.00 0.00 H new ATOM 588 N ILE A 71 -4.278 20.518 2.698 1.00 0.00 N ATOM 589 CA ILE A 71 -4.681 21.582 1.766 1.00 0.00 C ATOM 590 C ILE A 71 -5.308 22.789 2.493 1.00 0.00 C ATOM 591 O ILE A 71 -5.040 23.928 2.113 1.00 0.00 O ATOM 592 CB ILE A 71 -5.585 20.993 0.646 1.00 0.00 C ATOM 593 CG1 ILE A 71 -4.741 20.532 -0.568 1.00 0.00 C ATOM 594 CG2 ILE A 71 -6.636 21.995 0.128 1.00 0.00 C ATOM 595 CD1 ILE A 71 -3.853 19.305 -0.328 1.00 0.00 C ATOM 0 H ILE A 71 -4.803 19.651 2.581 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.788 21.982 1.285 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.098 20.149 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.416 20.314 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.107 21.361 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.235 21.524 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.284 22.299 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.133 22.871 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.306 19.068 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.146 19.519 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.475 18.455 -0.046 1.00 0.00 H new ATOM 607 N THR A 72 -6.131 22.556 3.527 1.00 0.00 N ATOM 608 CA THR A 72 -6.877 23.604 4.259 1.00 0.00 C ATOM 609 C THR A 72 -6.219 23.986 5.589 1.00 0.00 C ATOM 610 O THR A 72 -5.782 25.123 5.749 1.00 0.00 O ATOM 611 CB THR A 72 -8.372 23.250 4.440 1.00 0.00 C ATOM 612 OG1 THR A 72 -8.935 23.950 5.525 1.00 0.00 O ATOM 613 CG2 THR A 72 -8.661 21.764 4.648 1.00 0.00 C ATOM 0 H THR A 72 -6.303 21.618 3.888 1.00 0.00 H new ATOM 0 HA THR A 72 -6.835 24.491 3.627 1.00 0.00 H new ATOM 0 HB THR A 72 -8.825 23.546 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.880 23.708 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.734 21.615 4.765 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.309 21.200 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.146 21.415 5.543 1.00 0.00 H new ATOM 621 N SER A 73 -6.113 23.045 6.534 1.00 0.00 N ATOM 622 CA SER A 73 -5.516 23.262 7.856 1.00 0.00 C ATOM 623 C SER A 73 -4.041 23.644 7.778 1.00 0.00 C ATOM 624 O SER A 73 -3.531 24.198 8.751 1.00 0.00 O ATOM 625 CB SER A 73 -5.610 21.988 8.698 1.00 0.00 C ATOM 626 OG SER A 73 -5.435 22.264 10.070 1.00 0.00 O ATOM 0 H SER A 73 -6.447 22.091 6.398 1.00 0.00 H new ATOM 0 HA SER A 73 -6.075 24.082 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.580 21.517 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.853 21.276 8.369 1.00 0.00 H new ATOM 0 HG SER A 73 -4.692 22.893 10.185 1.00 0.00 H new ATOM 632 N ARG A 74 -3.369 23.328 6.654 1.00 0.00 N ATOM 633 CA ARG A 74 -1.967 23.653 6.366 1.00 0.00 C ATOM 634 C ARG A 74 -1.064 23.399 7.578 1.00 0.00 C ATOM 635 O ARG A 74 -0.355 24.297 8.023 1.00 0.00 O ATOM 636 CB ARG A 74 -1.870 25.098 5.835 1.00 0.00 C ATOM 637 CG ARG A 74 -2.211 25.243 4.340 1.00 0.00 C ATOM 638 CD ARG A 74 -3.382 26.200 4.070 1.00 0.00 C ATOM 639 NE ARG A 74 -3.058 27.183 3.018 1.00 0.00 N ATOM 640 CZ ARG A 74 -2.317 28.277 3.159 1.00 0.00 C ATOM 641 NH1 ARG A 74 -1.770 28.595 4.312 1.00 0.00 N ATOM 642 NH2 ARG A 74 -2.099 29.076 2.139 1.00 0.00 N ATOM 0 H ARG A 74 -3.812 22.817 5.891 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.599 22.986 5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.542 25.732 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.859 25.468 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.330 25.600 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.453 24.261 3.934 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.259 25.625 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.642 26.725 4.990 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.441 27.005 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.910 27.996 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.206 29.441 4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.500 28.859 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.529 29.913 2.260 1.00 0.00 H new ATOM 656 N SER A 75 -1.074 22.151 8.072 1.00 0.00 N ATOM 657 CA SER A 75 -0.270 21.689 9.214 1.00 0.00 C ATOM 658 C SER A 75 1.185 22.168 9.128 1.00 0.00 C ATOM 659 O SER A 75 1.549 23.105 9.830 1.00 0.00 O ATOM 660 CB SER A 75 -0.356 20.159 9.373 1.00 0.00 C ATOM 661 OG SER A 75 -1.224 19.817 10.432 1.00 0.00 O ATOM 0 H SER A 75 -1.658 21.415 7.676 1.00 0.00 H new ATOM 0 HA SER A 75 -0.695 22.140 10.111 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.712 19.711 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.637 19.751 9.564 1.00 0.00 H new ATOM 0 HG SER A 75 -1.268 18.842 10.517 1.00 0.00 H new ATOM 667 N ARG A 76 2.011 21.545 8.276 1.00 0.00 N ATOM 668 CA ARG A 76 3.398 21.931 7.988 1.00 0.00 C ATOM 669 C ARG A 76 3.854 21.304 6.669 1.00 0.00 C ATOM 670 O ARG A 76 3.227 20.358 6.196 1.00 0.00 O ATOM 671 CB ARG A 76 4.321 21.452 9.127 1.00 0.00 C ATOM 672 CG ARG A 76 4.538 22.489 10.245 1.00 0.00 C ATOM 673 CD ARG A 76 3.899 22.069 11.576 1.00 0.00 C ATOM 674 NE ARG A 76 4.527 22.755 12.715 1.00 0.00 N ATOM 675 CZ ARG A 76 4.115 22.709 13.975 1.00 0.00 C ATOM 676 NH1 ARG A 76 2.986 22.129 14.311 1.00 0.00 N ATOM 677 NH2 ARG A 76 4.849 23.239 14.922 1.00 0.00 N ATOM 0 H ARG A 76 1.718 20.724 7.747 1.00 0.00 H new ATOM 0 HA ARG A 76 3.451 23.017 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.900 20.547 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.289 21.182 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.607 22.640 10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.121 23.446 9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.833 22.295 11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.994 20.990 11.702 1.00 0.00 H new ATOM 0 HE ARG A 76 5.355 23.317 12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.401 21.699 13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.694 22.109 15.288 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.736 23.686 14.690 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.534 23.204 15.891 1.00 0.00 H new ATOM 691 N LYS A 77 4.975 21.805 6.125 1.00 0.00 N ATOM 692 CA LYS A 77 5.662 21.314 4.919 1.00 0.00 C ATOM 693 C LYS A 77 5.792 19.790 4.922 1.00 0.00 C ATOM 694 O LYS A 77 6.697 19.233 5.541 1.00 0.00 O ATOM 695 CB LYS A 77 7.053 21.954 4.797 1.00 0.00 C ATOM 696 CG LYS A 77 7.004 23.423 4.355 1.00 0.00 C ATOM 697 CD LYS A 77 8.386 24.084 4.450 1.00 0.00 C ATOM 698 CE LYS A 77 9.375 23.513 3.425 1.00 0.00 C ATOM 699 NZ LYS A 77 10.725 24.096 3.602 1.00 0.00 N ATOM 0 H LYS A 77 5.452 22.607 6.537 1.00 0.00 H new ATOM 0 HA LYS A 77 5.055 21.599 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.563 21.887 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.646 21.385 4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.640 23.484 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.295 23.968 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.284 25.158 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.785 23.944 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.427 22.429 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.017 23.718 2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.373 23.692 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.677 25.127 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.075 23.879 4.557 1.00 0.00 H new ATOM 713 N THR A 78 4.875 19.126 4.223 1.00 0.00 N ATOM 714 CA THR A 78 4.860 17.672 4.113 1.00 0.00 C ATOM 715 C THR A 78 5.981 17.192 3.176 1.00 0.00 C ATOM 716 O THR A 78 6.237 17.830 2.150 1.00 0.00 O ATOM 717 CB THR A 78 3.475 17.204 3.644 1.00 0.00 C ATOM 718 OG1 THR A 78 3.361 15.809 3.788 1.00 0.00 O ATOM 719 CG2 THR A 78 3.176 17.572 2.193 1.00 0.00 C ATOM 0 H THR A 78 4.119 19.585 3.715 1.00 0.00 H new ATOM 0 HA THR A 78 5.050 17.229 5.091 1.00 0.00 H new ATOM 0 HB THR A 78 2.750 17.721 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.465 15.586 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.183 17.213 1.924 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.214 18.655 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.918 17.111 1.541 1.00 0.00 H new ATOM 727 N PRO A 79 6.648 16.066 3.477 1.00 0.00 N ATOM 728 CA PRO A 79 7.630 15.480 2.575 1.00 0.00 C ATOM 729 C PRO A 79 6.944 14.902 1.328 1.00 0.00 C ATOM 730 O PRO A 79 5.982 14.136 1.429 1.00 0.00 O ATOM 731 CB PRO A 79 8.365 14.419 3.402 1.00 0.00 C ATOM 732 CG PRO A 79 7.368 14.043 4.493 1.00 0.00 C ATOM 733 CD PRO A 79 6.546 15.306 4.713 1.00 0.00 C ATOM 0 HA PRO A 79 8.338 16.215 2.192 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.635 13.556 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.289 14.813 3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.738 13.209 4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.877 13.737 5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.508 15.062 4.938 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.929 15.879 5.557 1.00 0.00 H new ATOM 741 N ILE A 80 7.473 15.238 0.143 1.00 0.00 N ATOM 742 CA ILE A 80 7.024 14.705 -1.152 1.00 0.00 C ATOM 743 C ILE A 80 6.930 13.175 -1.150 1.00 0.00 C ATOM 744 O ILE A 80 5.933 12.628 -1.611 1.00 0.00 O ATOM 745 CB ILE A 80 7.919 15.194 -2.318 1.00 0.00 C ATOM 746 CG1 ILE A 80 9.433 15.024 -2.029 1.00 0.00 C ATOM 747 CG2 ILE A 80 7.581 16.650 -2.678 1.00 0.00 C ATOM 748 CD1 ILE A 80 10.339 15.352 -3.219 1.00 0.00 C ATOM 0 H ILE A 80 8.242 15.903 0.056 1.00 0.00 H new ATOM 0 HA ILE A 80 6.019 15.096 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 80 7.701 14.559 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.706 15.665 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.619 13.996 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.218 16.979 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.536 16.717 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.749 17.288 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.381 15.208 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.097 14.693 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 80 10.185 16.389 -3.519 1.00 0.00 H new ATOM 760 N PHE A 81 7.921 12.493 -0.565 1.00 0.00 N ATOM 761 CA PHE A 81 7.999 11.036 -0.467 1.00 0.00 C ATOM 762 C PHE A 81 6.747 10.425 0.180 1.00 0.00 C ATOM 763 O PHE A 81 6.234 9.424 -0.320 1.00 0.00 O ATOM 764 CB PHE A 81 9.277 10.647 0.300 1.00 0.00 C ATOM 765 CG PHE A 81 10.200 9.732 -0.478 1.00 0.00 C ATOM 766 CD1 PHE A 81 11.173 10.279 -1.337 1.00 0.00 C ATOM 767 CD2 PHE A 81 10.088 8.335 -0.348 1.00 0.00 C ATOM 768 CE1 PHE A 81 12.036 9.431 -2.055 1.00 0.00 C ATOM 769 CE2 PHE A 81 10.953 7.488 -1.065 1.00 0.00 C ATOM 770 CZ PHE A 81 11.927 8.037 -1.918 1.00 0.00 C ATOM 0 H PHE A 81 8.718 12.960 -0.132 1.00 0.00 H new ATOM 0 HA PHE A 81 8.045 10.626 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.820 11.554 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.996 10.157 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.257 11.350 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.337 7.913 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 81 12.783 9.852 -2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.869 6.416 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 81 12.591 7.387 -2.468 1.00 0.00 H new ATOM 780 N ILE A 82 6.230 11.054 1.247 1.00 0.00 N ATOM 781 CA ILE A 82 4.963 10.676 1.878 1.00 0.00 C ATOM 782 C ILE A 82 3.821 10.873 0.885 1.00 0.00 C ATOM 783 O ILE A 82 3.153 9.901 0.548 1.00 0.00 O ATOM 784 CB ILE A 82 4.737 11.444 3.202 1.00 0.00 C ATOM 785 CG1 ILE A 82 5.607 10.875 4.347 1.00 0.00 C ATOM 786 CG2 ILE A 82 3.266 11.520 3.641 1.00 0.00 C ATOM 787 CD1 ILE A 82 5.199 9.487 4.860 1.00 0.00 C ATOM 0 H ILE A 82 6.687 11.847 1.698 1.00 0.00 H new ATOM 0 HA ILE A 82 4.998 9.620 2.148 1.00 0.00 H new ATOM 0 HB ILE A 82 5.049 12.466 2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.641 10.827 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.580 11.574 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.194 12.074 4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.683 12.028 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.877 10.512 3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.873 9.182 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.178 9.525 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.256 8.766 4.044 1.00 0.00 H new ATOM 799 N ILE A 83 3.599 12.100 0.393 1.00 0.00 N ATOM 800 CA ILE A 83 2.449 12.397 -0.476 1.00 0.00 C ATOM 801 C ILE A 83 2.432 11.511 -1.727 1.00 0.00 C ATOM 802 O ILE A 83 1.376 11.004 -2.105 1.00 0.00 O ATOM 803 CB ILE A 83 2.398 13.888 -0.868 1.00 0.00 C ATOM 804 CG1 ILE A 83 2.437 14.835 0.345 1.00 0.00 C ATOM 805 CG2 ILE A 83 1.140 14.177 -1.711 1.00 0.00 C ATOM 806 CD1 ILE A 83 1.345 14.596 1.401 1.00 0.00 C ATOM 0 H ILE A 83 4.199 12.903 0.581 1.00 0.00 H new ATOM 0 HA ILE A 83 1.555 12.170 0.105 1.00 0.00 H new ATOM 0 HB ILE A 83 3.296 14.082 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.411 14.743 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.354 15.861 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.117 15.233 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.162 13.572 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.250 13.931 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.460 15.314 2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.363 14.720 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.436 13.584 1.796 1.00 0.00 H new ATOM 818 N ASN A 84 3.602 11.280 -2.335 1.00 0.00 N ATOM 819 CA ASN A 84 3.775 10.357 -3.448 1.00 0.00 C ATOM 820 C ASN A 84 3.335 8.937 -3.085 1.00 0.00 C ATOM 821 O ASN A 84 2.491 8.383 -3.789 1.00 0.00 O ATOM 822 CB ASN A 84 5.239 10.372 -3.923 1.00 0.00 C ATOM 823 CG ASN A 84 5.572 11.534 -4.848 1.00 0.00 C ATOM 824 OD1 ASN A 84 6.500 12.295 -4.628 1.00 0.00 O ATOM 825 ND2 ASN A 84 4.869 11.658 -5.958 1.00 0.00 N ATOM 0 H ASN A 84 4.468 11.742 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 84 3.134 10.692 -4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.893 10.414 -3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.454 9.436 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.102 12.389 -6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.093 11.023 -6.144 1.00 0.00 H new ATOM 832 N GLN A 85 3.885 8.359 -2.002 1.00 0.00 N ATOM 833 CA GLN A 85 3.463 7.046 -1.505 1.00 0.00 C ATOM 834 C GLN A 85 1.958 7.008 -1.251 1.00 0.00 C ATOM 835 O GLN A 85 1.325 6.019 -1.606 1.00 0.00 O ATOM 836 CB GLN A 85 4.227 6.669 -0.223 1.00 0.00 C ATOM 837 CG GLN A 85 5.656 6.175 -0.494 1.00 0.00 C ATOM 838 CD GLN A 85 5.688 4.752 -1.048 1.00 0.00 C ATOM 839 OE1 GLN A 85 5.652 3.775 -0.318 1.00 0.00 O ATOM 840 NE2 GLN A 85 5.781 4.582 -2.353 1.00 0.00 N ATOM 0 H GLN A 85 4.629 8.789 -1.453 1.00 0.00 H new ATOM 0 HA GLN A 85 3.699 6.314 -2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.268 7.536 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.675 5.892 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.141 6.848 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.232 6.215 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.812 5.392 -2.972 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.822 3.640 -2.743 1.00 0.00 H new ATOM 849 N VAL A 86 1.386 8.084 -0.700 1.00 0.00 N ATOM 850 CA VAL A 86 -0.046 8.209 -0.441 1.00 0.00 C ATOM 851 C VAL A 86 -0.847 8.080 -1.738 1.00 0.00 C ATOM 852 O VAL A 86 -1.573 7.098 -1.890 1.00 0.00 O ATOM 853 CB VAL A 86 -0.379 9.512 0.316 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.879 9.560 0.567 1.00 0.00 C ATOM 855 CG2 VAL A 86 0.348 9.638 1.664 1.00 0.00 C ATOM 0 H VAL A 86 1.919 8.906 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.340 7.386 0.211 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.043 10.340 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.129 10.476 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.408 9.540 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.176 8.698 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.068 10.577 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.067 8.805 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.425 9.622 1.499 1.00 0.00 H new ATOM 865 N SER A 87 -0.735 9.037 -2.676 1.00 0.00 N ATOM 866 CA SER A 87 -1.542 9.008 -3.907 1.00 0.00 C ATOM 867 C SER A 87 -1.352 7.691 -4.661 1.00 0.00 C ATOM 868 O SER A 87 -2.337 7.049 -5.014 1.00 0.00 O ATOM 869 CB SER A 87 -1.286 10.180 -4.874 1.00 0.00 C ATOM 870 OG SER A 87 -0.435 11.197 -4.389 1.00 0.00 O ATOM 0 H SER A 87 -0.100 9.832 -2.606 1.00 0.00 H new ATOM 0 HA SER A 87 -2.570 9.107 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.858 9.782 -5.794 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.245 10.628 -5.136 1.00 0.00 H new ATOM 0 HG SER A 87 -0.333 11.892 -5.072 1.00 0.00 H new ATOM 876 N LEU A 88 -0.096 7.262 -4.861 1.00 0.00 N ATOM 877 CA LEU A 88 0.206 5.975 -5.486 1.00 0.00 C ATOM 878 C LEU A 88 -0.528 4.827 -4.786 1.00 0.00 C ATOM 879 O LEU A 88 -1.255 4.085 -5.447 1.00 0.00 O ATOM 880 CB LEU A 88 1.726 5.741 -5.500 1.00 0.00 C ATOM 881 CG LEU A 88 2.463 6.493 -6.625 1.00 0.00 C ATOM 882 CD1 LEU A 88 3.980 6.480 -6.368 1.00 0.00 C ATOM 883 CD2 LEU A 88 2.161 5.854 -7.988 1.00 0.00 C ATOM 0 H LEU A 88 0.730 7.797 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.150 6.000 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.140 6.048 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.918 4.673 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 88 2.112 7.525 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.489 7.014 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.192 6.966 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.335 5.450 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.690 6.398 -8.770 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.490 4.815 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.089 5.895 -8.179 1.00 0.00 H new ATOM 895 N PHE A 89 -0.386 4.709 -3.459 1.00 0.00 N ATOM 896 CA PHE A 89 -1.072 3.688 -2.676 1.00 0.00 C ATOM 897 C PHE A 89 -2.587 3.744 -2.866 1.00 0.00 C ATOM 898 O PHE A 89 -3.172 2.691 -3.068 1.00 0.00 O ATOM 899 CB PHE A 89 -0.689 3.789 -1.194 1.00 0.00 C ATOM 900 CG PHE A 89 -1.328 2.728 -0.322 1.00 0.00 C ATOM 901 CD1 PHE A 89 -2.589 2.953 0.262 1.00 0.00 C ATOM 902 CD2 PHE A 89 -0.668 1.503 -0.110 1.00 0.00 C ATOM 903 CE1 PHE A 89 -3.189 1.958 1.052 1.00 0.00 C ATOM 904 CE2 PHE A 89 -1.266 0.508 0.684 1.00 0.00 C ATOM 905 CZ PHE A 89 -2.527 0.736 1.264 1.00 0.00 C ATOM 0 H PHE A 89 0.210 5.323 -2.903 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.743 2.716 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.395 3.716 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.975 4.773 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.097 3.893 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.299 1.327 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.158 2.132 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.757 -0.430 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.987 -0.028 1.873 1.00 0.00 H new ATOM 915 N LEU A 90 -3.221 4.927 -2.852 1.00 0.00 N ATOM 916 CA LEU A 90 -4.674 5.080 -3.033 1.00 0.00 C ATOM 917 C LEU A 90 -5.177 4.422 -4.323 1.00 0.00 C ATOM 918 O LEU A 90 -6.088 3.591 -4.279 1.00 0.00 O ATOM 919 CB LEU A 90 -5.087 6.570 -3.032 1.00 0.00 C ATOM 920 CG LEU A 90 -5.532 7.154 -1.687 1.00 0.00 C ATOM 921 CD1 LEU A 90 -6.662 6.361 -1.023 1.00 0.00 C ATOM 922 CD2 LEU A 90 -4.372 7.278 -0.715 1.00 0.00 C ATOM 0 H LEU A 90 -2.735 5.813 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.136 4.572 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.245 7.158 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.900 6.699 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.916 8.146 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.927 6.830 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.533 6.350 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.331 5.338 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.729 7.696 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.942 6.293 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.611 7.934 -1.138 1.00 0.00 H new ATOM 934 N ILE A 91 -4.602 4.804 -5.470 1.00 0.00 N ATOM 935 CA ILE A 91 -5.000 4.236 -6.762 1.00 0.00 C ATOM 936 C ILE A 91 -4.672 2.742 -6.801 1.00 0.00 C ATOM 937 O ILE A 91 -5.546 1.939 -7.134 1.00 0.00 O ATOM 938 CB ILE A 91 -4.371 4.989 -7.957 1.00 0.00 C ATOM 939 CG1 ILE A 91 -4.942 6.419 -8.121 1.00 0.00 C ATOM 940 CG2 ILE A 91 -4.638 4.201 -9.257 1.00 0.00 C ATOM 941 CD1 ILE A 91 -4.230 7.474 -7.273 1.00 0.00 C ATOM 0 H ILE A 91 -3.861 5.503 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.078 4.359 -6.862 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.302 5.072 -7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.877 6.707 -9.170 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.000 6.409 -7.858 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.195 4.730 -10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.195 3.208 -9.178 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.713 4.107 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.688 8.448 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.317 7.212 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.177 7.515 -7.551 1.00 0.00 H new ATOM 953 N ILE A 92 -3.433 2.368 -6.446 1.00 0.00 N ATOM 954 CA ILE A 92 -2.986 0.971 -6.442 1.00 0.00 C ATOM 955 C ILE A 92 -3.907 0.113 -5.567 1.00 0.00 C ATOM 956 O ILE A 92 -4.298 -0.960 -6.008 1.00 0.00 O ATOM 957 CB ILE A 92 -1.500 0.861 -6.031 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.591 1.525 -7.095 1.00 0.00 C ATOM 959 CG2 ILE A 92 -1.093 -0.613 -5.838 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.825 1.819 -6.576 1.00 0.00 C ATOM 0 H ILE A 92 -2.713 3.029 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.054 0.580 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.373 1.384 -5.083 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.525 0.873 -7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.051 2.456 -7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.043 -0.666 -5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.707 -1.061 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.240 -1.156 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.413 2.284 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.767 2.495 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.301 0.888 -6.269 1.00 0.00 H new ATOM 972 N LEU A 93 -4.314 0.598 -4.389 1.00 0.00 N ATOM 973 CA LEU A 93 -5.306 -0.009 -3.503 1.00 0.00 C ATOM 974 C LEU A 93 -6.624 -0.253 -4.242 1.00 0.00 C ATOM 975 O LEU A 93 -7.054 -1.402 -4.324 1.00 0.00 O ATOM 976 CB LEU A 93 -5.465 0.872 -2.242 1.00 0.00 C ATOM 977 CG LEU A 93 -6.733 0.664 -1.395 1.00 0.00 C ATOM 978 CD1 LEU A 93 -6.872 -0.786 -0.927 1.00 0.00 C ATOM 979 CD2 LEU A 93 -6.725 1.594 -0.179 1.00 0.00 C ATOM 0 H LEU A 93 -3.940 1.468 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.966 -0.992 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.599 0.704 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.434 1.916 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.586 0.901 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.779 -0.891 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.928 -1.444 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.008 -1.057 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.629 1.433 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.850 1.382 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.690 2.631 -0.514 1.00 0.00 H new ATOM 991 N HIS A 94 -7.262 0.800 -4.772 1.00 0.00 N ATOM 992 CA HIS A 94 -8.573 0.673 -5.412 1.00 0.00 C ATOM 993 C HIS A 94 -8.525 -0.285 -6.614 1.00 0.00 C ATOM 994 O HIS A 94 -9.340 -1.207 -6.702 1.00 0.00 O ATOM 995 CB HIS A 94 -9.105 2.060 -5.807 1.00 0.00 C ATOM 996 CG HIS A 94 -10.611 2.156 -5.928 1.00 0.00 C ATOM 997 ND1 HIS A 94 -11.323 3.335 -5.953 1.00 0.00 N ATOM 998 CD2 HIS A 94 -11.523 1.131 -5.971 1.00 0.00 C ATOM 999 CE1 HIS A 94 -12.632 3.025 -6.004 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -12.800 1.695 -6.013 1.00 0.00 N ATOM 0 H HIS A 94 -6.888 1.749 -4.769 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.266 0.236 -4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.768 2.786 -5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.660 2.346 -6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.294 0.076 -5.972 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.435 3.747 -6.034 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.687 1.193 -6.044 1.00 0.00 H new ATOM 1008 N SER A 95 -7.533 -0.109 -7.498 1.00 0.00 N ATOM 1009 CA SER A 95 -7.301 -0.991 -8.645 1.00 0.00 C ATOM 1010 C SER A 95 -7.048 -2.433 -8.205 1.00 0.00 C ATOM 1011 O SER A 95 -7.738 -3.340 -8.673 1.00 0.00 O ATOM 1012 CB SER A 95 -6.135 -0.478 -9.494 1.00 0.00 C ATOM 1013 OG SER A 95 -6.554 0.632 -10.261 1.00 0.00 O ATOM 0 H SER A 95 -6.864 0.658 -7.434 1.00 0.00 H new ATOM 0 HA SER A 95 -8.206 -0.984 -9.252 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.302 -0.194 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.775 -1.270 -10.150 1.00 0.00 H new ATOM 0 HG SER A 95 -5.804 0.958 -10.801 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.093 -2.658 -7.291 1.00 0.00 N ATOM 1020 CA ALA A 96 -5.755 -3.985 -6.790 1.00 0.00 C ATOM 1021 C ALA A 96 -6.953 -4.683 -6.143 1.00 0.00 C ATOM 1022 O ALA A 96 -7.131 -5.877 -6.404 1.00 0.00 O ATOM 1023 CB ALA A 96 -4.592 -3.896 -5.795 1.00 0.00 C ATOM 0 H ALA A 96 -5.532 -1.912 -6.879 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.454 -4.587 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.350 -4.894 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.720 -3.470 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.878 -3.261 -4.957 1.00 0.00 H new ATOM 1029 N LEU A 97 -7.744 -3.954 -5.337 1.00 0.00 N ATOM 1030 CA LEU A 97 -8.998 -4.424 -4.751 1.00 0.00 C ATOM 1031 C LEU A 97 -9.963 -4.873 -5.841 1.00 0.00 C ATOM 1032 O LEU A 97 -10.307 -6.050 -5.868 1.00 0.00 O ATOM 1033 CB LEU A 97 -9.664 -3.344 -3.871 1.00 0.00 C ATOM 1034 CG LEU A 97 -9.316 -3.418 -2.375 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -10.014 -2.263 -1.646 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -9.783 -4.732 -1.737 1.00 0.00 C ATOM 0 H LEU A 97 -7.517 -2.996 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.756 -5.273 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.376 -2.362 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.746 -3.423 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.231 -3.357 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.774 -2.305 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.672 -1.313 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.093 -2.348 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.515 -4.739 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.865 -4.821 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.301 -5.571 -2.239 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.381 -3.962 -6.732 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.373 -4.262 -7.768 1.00 0.00 C ATOM 1050 C TYR A 98 -10.942 -5.436 -8.658 1.00 0.00 C ATOM 1051 O TYR A 98 -11.759 -6.294 -8.992 1.00 0.00 O ATOM 1052 CB TYR A 98 -11.661 -3.018 -8.613 1.00 0.00 C ATOM 1053 CG TYR A 98 -13.085 -2.989 -9.132 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -13.436 -3.686 -10.305 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -14.070 -2.289 -8.409 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -14.770 -3.681 -10.756 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -15.403 -2.269 -8.861 1.00 0.00 C ATOM 1058 CZ TYR A 98 -15.754 -2.969 -10.037 1.00 0.00 C ATOM 1059 OH TYR A 98 -17.037 -2.949 -10.487 1.00 0.00 O ATOM 0 H TYR A 98 -10.041 -3.001 -6.753 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.290 -4.563 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.477 -2.125 -8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.970 -2.986 -9.455 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.681 -4.225 -10.859 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -13.802 -1.765 -7.504 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.040 -4.221 -11.651 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -16.154 -1.721 -8.311 1.00 0.00 H new ATOM 0 HH TYR A 98 -17.589 -2.416 -9.878 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.645 -5.505 -8.989 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.040 -6.634 -9.686 1.00 0.00 C ATOM 1071 C PHE A 99 -9.296 -7.936 -8.931 1.00 0.00 C ATOM 1072 O PHE A 99 -10.001 -8.798 -9.443 1.00 0.00 O ATOM 1073 CB PHE A 99 -7.540 -6.394 -9.912 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.205 -5.681 -11.210 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.923 -4.540 -11.624 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -6.173 -6.182 -12.027 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.624 -3.917 -12.846 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -5.866 -5.554 -13.245 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.594 -4.423 -13.658 1.00 0.00 C ATOM 0 H PHE A 99 -8.981 -4.762 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.508 -6.726 -10.666 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.149 -5.809 -9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.025 -7.354 -9.896 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.708 -4.143 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.615 -7.053 -11.715 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.185 -3.050 -13.162 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.070 -5.940 -13.865 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.362 -3.944 -14.598 1.00 0.00 H new ATOM 1089 N LYS A 100 -8.760 -8.091 -7.714 1.00 0.00 N ATOM 1090 CA LYS A 100 -8.912 -9.338 -6.947 1.00 0.00 C ATOM 1091 C LYS A 100 -10.387 -9.639 -6.662 1.00 0.00 C ATOM 1092 O LYS A 100 -10.795 -10.787 -6.762 1.00 0.00 O ATOM 1093 CB LYS A 100 -8.072 -9.277 -5.661 1.00 0.00 C ATOM 1094 CG LYS A 100 -6.568 -9.142 -5.969 1.00 0.00 C ATOM 1095 CD LYS A 100 -5.830 -8.350 -4.876 1.00 0.00 C ATOM 1096 CE LYS A 100 -4.405 -7.946 -5.283 1.00 0.00 C ATOM 1097 NZ LYS A 100 -4.376 -7.258 -6.599 1.00 0.00 N ATOM 0 H LYS A 100 -8.217 -7.370 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.537 -10.166 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.397 -8.432 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.243 -10.177 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.125 -10.134 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.437 -8.644 -6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.401 -7.453 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.785 -8.951 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.983 -7.290 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.774 -8.834 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.565 -6.608 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.287 -7.964 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.256 -6.720 -6.729 1.00 0.00 H new ATOM 1111 N TYR A 101 -11.208 -8.613 -6.422 1.00 0.00 N ATOM 1112 CA TYR A 101 -12.659 -8.709 -6.256 1.00 0.00 C ATOM 1113 C TYR A 101 -13.362 -9.375 -7.452 1.00 0.00 C ATOM 1114 O TYR A 101 -14.287 -10.160 -7.240 1.00 0.00 O ATOM 1115 CB TYR A 101 -13.209 -7.301 -5.967 1.00 0.00 C ATOM 1116 CG TYR A 101 -14.666 -7.079 -6.314 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -15.679 -7.377 -5.383 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -14.999 -6.586 -7.590 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -17.030 -7.172 -5.726 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -16.344 -6.396 -7.943 1.00 0.00 C ATOM 1121 CZ TYR A 101 -17.362 -6.676 -7.010 1.00 0.00 C ATOM 1122 OH TYR A 101 -18.655 -6.426 -7.354 1.00 0.00 O ATOM 0 H TYR A 101 -10.866 -7.656 -6.335 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.872 -9.366 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -13.071 -7.088 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -12.609 -6.577 -6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -15.421 -7.762 -4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.218 -6.354 -8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -17.810 -7.392 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -16.598 -6.036 -8.929 1.00 0.00 H new ATOM 0 HH TYR A 101 -18.690 -6.089 -8.274 1.00 0.00 H new ATOM 1132 N LEU A 102 -12.924 -9.102 -8.692 1.00 0.00 N ATOM 1133 CA LEU A 102 -13.510 -9.717 -9.888 1.00 0.00 C ATOM 1134 C LEU A 102 -12.807 -11.040 -10.259 1.00 0.00 C ATOM 1135 O LEU A 102 -13.469 -12.006 -10.635 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.619 -8.654 -11.008 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.381 -8.419 -11.906 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.403 -9.340 -13.134 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -12.252 -6.954 -12.363 1.00 0.00 C ATOM 0 H LEU A 102 -12.161 -8.455 -8.890 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.532 -10.041 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.452 -8.932 -11.653 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.880 -7.703 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.512 -8.656 -11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.521 -9.152 -13.746 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.404 -10.380 -12.809 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.300 -9.143 -13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.367 -6.845 -12.990 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.137 -6.671 -12.933 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.160 -6.307 -11.490 1.00 0.00 H new ATOM 1151 N LEU A 103 -11.481 -11.121 -10.080 1.00 0.00 N ATOM 1152 CA LEU A 103 -10.655 -12.302 -10.356 1.00 0.00 C ATOM 1153 C LEU A 103 -10.971 -13.472 -9.406 1.00 0.00 C ATOM 1154 O LEU A 103 -11.165 -14.594 -9.878 1.00 0.00 O ATOM 1155 CB LEU A 103 -9.160 -11.888 -10.369 1.00 0.00 C ATOM 1156 CG LEU A 103 -8.146 -12.882 -9.770 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -8.013 -14.172 -10.592 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -6.769 -12.222 -9.632 1.00 0.00 C ATOM 0 H LEU A 103 -10.935 -10.336 -9.726 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.898 -12.689 -11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.873 -11.695 -11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.066 -10.945 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.531 -13.159 -8.788 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.285 -14.831 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.979 -14.674 -10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.680 -13.928 -11.601 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.064 -12.937 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.418 -11.905 -10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.845 -11.355 -8.976 1.00 0.00 H new ATOM 1170 N SER A 104 -11.037 -13.229 -8.089 1.00 0.00 N ATOM 1171 CA SER A 104 -11.255 -14.272 -7.073 1.00 0.00 C ATOM 1172 C SER A 104 -12.607 -14.976 -7.228 1.00 0.00 C ATOM 1173 O SER A 104 -12.780 -16.105 -6.762 1.00 0.00 O ATOM 1174 CB SER A 104 -11.152 -13.679 -5.661 1.00 0.00 C ATOM 1175 OG SER A 104 -9.805 -13.336 -5.395 1.00 0.00 O ATOM 0 H SER A 104 -10.940 -12.294 -7.694 1.00 0.00 H new ATOM 0 HA SER A 104 -10.473 -15.016 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.787 -12.797 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.508 -14.399 -4.925 1.00 0.00 H new ATOM 0 HG SER A 104 -9.632 -12.424 -5.708 1.00 0.00 H new ATOM 1181 N ASN A 105 -13.557 -14.316 -7.901 1.00 0.00 N ATOM 1182 CA ASN A 105 -14.848 -14.884 -8.258 1.00 0.00 C ATOM 1183 C ASN A 105 -14.820 -15.590 -9.628 1.00 0.00 C ATOM 1184 O ASN A 105 -15.497 -16.600 -9.789 1.00 0.00 O ATOM 1185 CB ASN A 105 -15.895 -13.757 -8.206 1.00 0.00 C ATOM 1186 CG ASN A 105 -17.283 -14.266 -7.839 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -17.458 -15.109 -6.966 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -18.316 -13.722 -8.451 1.00 0.00 N ATOM 0 H ASN A 105 -13.440 -13.353 -8.216 1.00 0.00 H new ATOM 0 HA ASN A 105 -15.112 -15.663 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.582 -13.008 -7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.938 -13.261 -9.176 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.264 -14.002 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.168 -13.021 -9.177 1.00 0.00 H new ATOM 1195 N TYR A 106 -14.046 -15.086 -10.604 1.00 0.00 N ATOM 1196 CA TYR A 106 -13.878 -15.681 -11.940 1.00 0.00 C ATOM 1197 C TYR A 106 -13.290 -17.097 -11.887 1.00 0.00 C ATOM 1198 O TYR A 106 -13.942 -18.052 -12.310 1.00 0.00 O ATOM 1199 CB TYR A 106 -13.004 -14.773 -12.831 1.00 0.00 C ATOM 1200 CG TYR A 106 -13.765 -13.854 -13.768 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -14.850 -13.091 -13.294 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -13.380 -13.760 -15.121 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -15.566 -12.260 -14.173 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -14.093 -12.929 -16.006 1.00 0.00 C ATOM 1205 CZ TYR A 106 -15.200 -12.187 -15.532 1.00 0.00 C ATOM 1206 OH TYR A 106 -15.928 -11.412 -16.379 1.00 0.00 O ATOM 0 H TYR A 106 -13.505 -14.230 -10.482 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.874 -15.764 -12.375 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -12.369 -14.163 -12.188 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.343 -15.404 -13.425 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -15.132 -13.145 -12.253 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -12.534 -14.328 -15.480 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -16.398 -11.677 -13.806 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.796 -12.858 -17.042 1.00 0.00 H new ATOM 0 HH TYR A 106 -15.548 -11.467 -17.281 1.00 0.00 H new ATOM 1216 N SER A 107 -12.043 -17.233 -11.416 1.00 0.00 N ATOM 1217 CA SER A 107 -11.365 -18.529 -11.301 1.00 0.00 C ATOM 1218 C SER A 107 -11.881 -19.303 -10.081 1.00 0.00 C ATOM 1219 O SER A 107 -11.226 -19.362 -9.041 1.00 0.00 O ATOM 1220 CB SER A 107 -9.840 -18.355 -11.261 1.00 0.00 C ATOM 1221 OG SER A 107 -9.325 -18.245 -12.578 1.00 0.00 O ATOM 0 H SER A 107 -11.476 -16.445 -11.104 1.00 0.00 H new ATOM 0 HA SER A 107 -11.598 -19.117 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.583 -17.465 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.383 -19.205 -10.754 1.00 0.00 H new ATOM 0 HG SER A 107 -8.352 -18.133 -12.541 1.00 0.00 H new ATOM 1227 N SER A 108 -13.068 -19.903 -10.213 1.00 0.00 N ATOM 1228 CA SER A 108 -13.685 -20.754 -9.189 1.00 0.00 C ATOM 1229 C SER A 108 -12.987 -22.114 -9.084 1.00 0.00 C ATOM 1230 O SER A 108 -13.035 -22.905 -10.025 1.00 0.00 O ATOM 1231 CB SER A 108 -15.165 -20.996 -9.506 1.00 0.00 C ATOM 1232 OG SER A 108 -15.929 -19.816 -9.382 1.00 0.00 O ATOM 0 H SER A 108 -13.640 -19.809 -11.053 1.00 0.00 H new ATOM 0 HA SER A 108 -13.583 -20.226 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.260 -21.385 -10.520 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.561 -21.757 -8.834 1.00 0.00 H new ATOM 0 HG SER A 108 -16.866 -20.009 -9.593 1.00 0.00 H new ATOM 1238 N VAL A 109 -12.389 -22.404 -7.921 1.00 0.00 N ATOM 1239 CA VAL A 109 -11.741 -23.687 -7.606 1.00 0.00 C ATOM 1240 C VAL A 109 -12.172 -24.153 -6.207 1.00 0.00 C ATOM 1241 O VAL A 109 -11.609 -23.723 -5.200 1.00 0.00 O ATOM 1242 CB VAL A 109 -10.203 -23.603 -7.738 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -9.554 -24.982 -7.506 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -9.770 -23.057 -9.110 1.00 0.00 C ATOM 0 H VAL A 109 -12.340 -21.736 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.067 -24.429 -8.334 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.861 -22.908 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.472 -24.896 -7.604 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -9.800 -25.336 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.930 -25.690 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.682 -23.015 -9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -10.143 -23.713 -9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -10.178 -22.056 -9.248 1.00 0.00 H new ATOM 1254 N THR A 110 -13.215 -24.991 -6.166 1.00 0.00 N ATOM 1255 CA THR A 110 -13.681 -25.734 -4.977 1.00 0.00 C ATOM 1256 C THR A 110 -12.682 -26.828 -4.534 1.00 0.00 C ATOM 1257 O THR A 110 -12.708 -27.219 -3.344 1.00 0.00 O ATOM 1258 CB THR A 110 -15.090 -26.283 -5.261 1.00 0.00 C ATOM 1259 OG1 THR A 110 -15.753 -26.585 -4.056 1.00 0.00 O ATOM 1260 CG2 THR A 110 -15.103 -27.501 -6.192 1.00 0.00 C ATOM 0 H THR A 110 -13.784 -25.181 -6.991 1.00 0.00 H new ATOM 0 HA THR A 110 -13.736 -25.055 -4.126 1.00 0.00 H new ATOM 0 HB THR A 110 -15.621 -25.490 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 110 -16.648 -26.932 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 110 -16.131 -27.831 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.662 -27.230 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 110 -14.526 -28.309 -5.742 1.00 0.00 H new TER 1268 THR A 110