USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 63 CYS SG : rot 157:sc= 0.562 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -145:sc= -0.322 (180deg=-1.8) USER MOD Single : A 4 MET CE :methyl -147:sc= -0.684 (180deg=-2.72!) USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -0.277 (180deg=-1.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 44:sc= 0.132 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -97:sc= -1.96 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.0904 USER MOD Single : A 34 THR OG1 : rot -46:sc= 0.758 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -172:sc= -1.31 (180deg=-1.33) USER MOD Single : A 48 THR OG1 : rot -25:sc= 0.0724 USER MOD Single : A 57 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.15) USER MOD Single : A 61 SER OG : rot 80:sc= 0.196 USER MOD Single : A 64 ASN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.48) USER MOD Single : A 70 MET CE :methyl 158:sc= -1.25 (180deg=-1.71) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 3.018 -5.096 -4.776 1.00 0.00 N ATOM 24 CA ASP A 3 3.890 -4.829 -5.913 1.00 0.00 C ATOM 25 C ASP A 3 3.080 -4.694 -7.199 1.00 0.00 C ATOM 26 O ASP A 3 3.447 -3.938 -8.098 1.00 0.00 O ATOM 27 CB ASP A 3 4.925 -5.945 -6.063 1.00 0.00 C ATOM 28 CG ASP A 3 5.992 -5.893 -4.987 1.00 0.00 C ATOM 29 OD1 ASP A 3 5.637 -5.987 -3.794 1.00 0.00 O ATOM 30 OD2 ASP A 3 7.183 -5.758 -5.339 1.00 0.00 O ATOM 0 HA ASP A 3 4.407 -3.887 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.422 -6.911 -6.025 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.397 -5.870 -7.043 1.00 0.00 H new ATOM 35 N MET A 4 1.978 -5.432 -7.278 1.00 0.00 N ATOM 36 CA MET A 4 1.116 -5.393 -8.454 1.00 0.00 C ATOM 37 C MET A 4 0.635 -3.972 -8.730 1.00 0.00 C ATOM 38 O MET A 4 0.284 -3.635 -9.860 1.00 0.00 O ATOM 39 CB MET A 4 -0.084 -6.323 -8.264 1.00 0.00 C ATOM 40 CG MET A 4 0.284 -7.680 -7.686 1.00 0.00 C ATOM 41 SD MET A 4 1.658 -8.457 -8.558 1.00 0.00 S ATOM 42 CE MET A 4 1.119 -8.287 -10.258 1.00 0.00 C ATOM 0 H MET A 4 1.661 -6.064 -6.543 1.00 0.00 H new ATOM 0 HA MET A 4 1.698 -5.733 -9.311 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.806 -5.841 -7.606 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.576 -6.468 -9.225 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.545 -7.564 -6.634 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.585 -8.336 -7.728 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.469 -9.141 -10.838 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.030 -8.246 -10.292 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.530 -7.370 -10.680 1.00 0.00 H new ATOM 52 N GLU A 5 0.621 -3.145 -7.689 1.00 0.00 N ATOM 53 CA GLU A 5 0.181 -1.761 -7.821 1.00 0.00 C ATOM 54 C GLU A 5 1.124 -0.974 -8.728 1.00 0.00 C ATOM 55 O GLU A 5 0.685 -0.281 -9.645 1.00 0.00 O ATOM 56 CB GLU A 5 0.104 -1.094 -6.446 1.00 0.00 C ATOM 57 CG GLU A 5 -1.066 -0.136 -6.299 1.00 0.00 C ATOM 58 CD GLU A 5 -1.651 -0.140 -4.900 1.00 0.00 C ATOM 59 OE1 GLU A 5 -2.317 -1.132 -4.537 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.441 0.850 -4.167 1.00 0.00 O ATOM 0 H GLU A 5 0.909 -3.409 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.811 -1.764 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.029 -1.866 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.032 -0.552 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.738 0.873 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.843 -0.405 -7.014 1.00 0.00 H new ATOM 67 N ARG A 6 2.421 -1.087 -8.463 1.00 0.00 N ATOM 68 CA ARG A 6 3.426 -0.386 -9.253 1.00 0.00 C ATOM 69 C ARG A 6 3.219 -0.639 -10.744 1.00 0.00 C ATOM 70 O ARG A 6 3.014 0.296 -11.519 1.00 0.00 O ATOM 71 CB ARG A 6 4.831 -0.829 -8.840 1.00 0.00 C ATOM 72 CG ARG A 6 5.502 0.113 -7.855 1.00 0.00 C ATOM 73 CD ARG A 6 6.036 1.357 -8.549 1.00 0.00 C ATOM 74 NE ARG A 6 6.564 2.331 -7.597 1.00 0.00 N ATOM 75 CZ ARG A 6 6.941 3.559 -7.935 1.00 0.00 C ATOM 76 NH1 ARG A 6 6.848 3.961 -9.195 1.00 0.00 N ATOM 77 NH2 ARG A 6 7.411 4.387 -7.012 1.00 0.00 N ATOM 0 H ARG A 6 2.801 -1.657 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 6 3.319 0.682 -9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.774 -1.823 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.453 -0.912 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.789 0.403 -7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.320 -0.405 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.821 1.072 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.239 1.817 -9.133 1.00 0.00 H new ATOM 0 HE ARG A 6 6.648 2.053 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.486 3.327 -9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.138 4.904 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.483 4.081 -6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.700 5.330 -7.272 1.00 0.00 H new ATOM 91 N ILE A 7 3.275 -1.907 -11.137 1.00 0.00 N ATOM 92 CA ILE A 7 3.093 -2.281 -12.534 1.00 0.00 C ATOM 93 C ILE A 7 1.787 -1.722 -13.087 1.00 0.00 C ATOM 94 O ILE A 7 1.760 -1.133 -14.168 1.00 0.00 O ATOM 95 CB ILE A 7 3.099 -3.811 -12.712 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.336 -4.418 -12.047 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.054 -4.173 -14.189 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.051 -5.051 -10.703 1.00 0.00 C ATOM 0 H ILE A 7 3.445 -2.692 -10.508 1.00 0.00 H new ATOM 0 HA ILE A 7 3.931 -1.855 -13.086 1.00 0.00 H new ATOM 0 HB ILE A 7 2.212 -4.222 -12.230 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.763 -5.170 -12.710 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.089 -3.640 -11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.059 -5.258 -14.298 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.146 -3.767 -14.636 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.925 -3.754 -14.693 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.973 -5.460 -10.291 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.653 -4.298 -10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.321 -5.852 -10.825 1.00 0.00 H new ATOM 110 N PHE A 8 0.705 -1.908 -12.339 1.00 0.00 N ATOM 111 CA PHE A 8 -0.605 -1.422 -12.754 1.00 0.00 C ATOM 112 C PHE A 8 -0.554 0.068 -13.080 1.00 0.00 C ATOM 113 O PHE A 8 -1.185 0.529 -14.031 1.00 0.00 O ATOM 114 CB PHE A 8 -1.640 -1.679 -11.656 1.00 0.00 C ATOM 115 CG PHE A 8 -2.976 -1.050 -11.932 1.00 0.00 C ATOM 116 CD1 PHE A 8 -3.236 0.254 -11.543 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.971 -1.763 -12.581 1.00 0.00 C ATOM 118 CE1 PHE A 8 -4.465 0.834 -11.795 1.00 0.00 C ATOM 119 CE2 PHE A 8 -5.202 -1.188 -12.836 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.448 0.113 -12.443 1.00 0.00 C ATOM 0 H PHE A 8 0.710 -2.392 -11.441 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.897 -1.964 -13.654 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.772 -2.754 -11.536 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.256 -1.298 -10.710 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.470 0.823 -11.037 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.783 -2.780 -12.891 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.656 1.851 -11.485 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.970 -1.755 -13.341 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.408 0.566 -12.642 1.00 0.00 H new ATOM 130 N LYS A 9 0.203 0.816 -12.285 1.00 0.00 N ATOM 131 CA LYS A 9 0.339 2.254 -12.487 1.00 0.00 C ATOM 132 C LYS A 9 1.338 2.554 -13.601 1.00 0.00 C ATOM 133 O LYS A 9 1.335 3.644 -14.172 1.00 0.00 O ATOM 134 CB LYS A 9 0.787 2.932 -11.191 1.00 0.00 C ATOM 135 CG LYS A 9 -0.146 2.679 -10.019 1.00 0.00 C ATOM 136 CD LYS A 9 0.626 2.462 -8.728 1.00 0.00 C ATOM 137 CE LYS A 9 1.214 3.764 -8.205 1.00 0.00 C ATOM 138 NZ LYS A 9 2.489 4.112 -8.891 1.00 0.00 N ATOM 0 H LYS A 9 0.732 0.450 -11.494 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.634 2.648 -12.778 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.785 2.579 -10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.862 4.006 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.822 3.526 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.763 1.805 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.035 2.032 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.427 1.742 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.494 4.570 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.390 3.678 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.085 4.676 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.991 3.240 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.283 4.664 -9.748 1.00 0.00 H new ATOM 152 N ARG A 10 2.189 1.579 -13.905 1.00 0.00 N ATOM 153 CA ARG A 10 3.192 1.740 -14.951 1.00 0.00 C ATOM 154 C ARG A 10 2.542 2.145 -16.270 1.00 0.00 C ATOM 155 O ARG A 10 2.955 3.115 -16.906 1.00 0.00 O ATOM 156 CB ARG A 10 3.979 0.441 -15.136 1.00 0.00 C ATOM 157 CG ARG A 10 5.380 0.651 -15.686 1.00 0.00 C ATOM 158 CD ARG A 10 5.773 -0.459 -16.648 1.00 0.00 C ATOM 159 NE ARG A 10 6.218 0.066 -17.936 1.00 0.00 N ATOM 160 CZ ARG A 10 7.387 0.671 -18.119 1.00 0.00 C ATOM 161 NH1 ARG A 10 8.223 0.826 -17.102 1.00 0.00 N ATOM 162 NH2 ARG A 10 7.721 1.121 -19.322 1.00 0.00 N ATOM 0 H ARG A 10 2.204 0.670 -13.442 1.00 0.00 H new ATOM 0 HA ARG A 10 3.876 2.532 -14.645 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.048 -0.072 -14.177 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.428 -0.215 -15.810 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.431 1.612 -16.197 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.093 0.690 -14.863 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.570 -1.057 -16.206 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.923 -1.124 -16.801 1.00 0.00 H new ATOM 0 HE ARG A 10 5.598 -0.037 -18.739 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.970 0.481 -16.176 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.120 1.291 -17.245 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.080 1.003 -20.107 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.618 1.585 -19.462 1.00 0.00 H new ATOM 176 N PHE A 11 1.522 1.396 -16.677 1.00 0.00 N ATOM 177 CA PHE A 11 0.816 1.676 -17.921 1.00 0.00 C ATOM 178 C PHE A 11 -0.242 2.756 -17.715 1.00 0.00 C ATOM 179 O PHE A 11 -0.923 3.161 -18.657 1.00 0.00 O ATOM 180 CB PHE A 11 0.161 0.402 -18.459 1.00 0.00 C ATOM 181 CG PHE A 11 1.089 -0.778 -18.498 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.444 -0.603 -18.728 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.607 -2.063 -18.304 1.00 0.00 C ATOM 184 CE1 PHE A 11 3.300 -1.688 -18.765 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.458 -3.151 -18.340 1.00 0.00 C ATOM 186 CZ PHE A 11 2.807 -2.963 -18.570 1.00 0.00 C ATOM 0 H PHE A 11 1.166 0.590 -16.163 1.00 0.00 H new ATOM 0 HA PHE A 11 1.543 2.038 -18.648 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.701 0.156 -17.839 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.214 0.593 -19.465 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.836 0.392 -18.880 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.447 -2.216 -18.122 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.354 -1.538 -18.946 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.069 -4.147 -18.189 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.475 -3.811 -18.597 1.00 0.00 H new ATOM 196 N ASP A 12 -0.373 3.218 -16.476 1.00 0.00 N ATOM 197 CA ASP A 12 -1.347 4.252 -16.145 1.00 0.00 C ATOM 198 C ASP A 12 -0.853 5.626 -16.587 1.00 0.00 C ATOM 199 O ASP A 12 -0.639 6.516 -15.763 1.00 0.00 O ATOM 200 CB ASP A 12 -1.626 4.256 -14.641 1.00 0.00 C ATOM 201 CG ASP A 12 -2.832 5.101 -14.279 1.00 0.00 C ATOM 202 OD1 ASP A 12 -3.404 5.738 -15.187 1.00 0.00 O ATOM 203 OD2 ASP A 12 -3.202 5.125 -13.086 1.00 0.00 O ATOM 0 H ASP A 12 0.183 2.893 -15.685 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.271 4.030 -16.678 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.788 3.233 -14.301 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.750 4.633 -14.113 1.00 0.00 H new ATOM 262 N LYS A 18 -8.063 2.185 -15.228 1.00 0.00 N ATOM 263 CA LYS A 18 -7.791 0.936 -15.930 1.00 0.00 C ATOM 264 C LYS A 18 -6.589 1.083 -16.857 1.00 0.00 C ATOM 265 O LYS A 18 -6.138 2.195 -17.132 1.00 0.00 O ATOM 266 CB LYS A 18 -9.019 0.502 -16.734 1.00 0.00 C ATOM 267 CG LYS A 18 -10.194 0.078 -15.870 1.00 0.00 C ATOM 268 CD LYS A 18 -11.288 -0.575 -16.697 1.00 0.00 C ATOM 269 CE LYS A 18 -12.508 0.326 -16.818 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.689 -0.409 -17.350 1.00 0.00 N ATOM 0 HA LYS A 18 -7.562 0.173 -15.186 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.331 1.325 -17.378 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.741 -0.326 -17.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.851 -0.618 -15.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.598 0.948 -15.352 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.905 -0.806 -17.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.577 -1.521 -16.239 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.750 0.743 -15.840 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.276 1.165 -17.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.500 0.239 -17.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.467 -0.786 -18.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.926 -1.194 -16.711 1.00 0.00 H new ATOM 284 N ILE A 19 -6.076 -0.045 -17.336 1.00 0.00 N ATOM 285 CA ILE A 19 -4.928 -0.041 -18.234 1.00 0.00 C ATOM 286 C ILE A 19 -5.148 -0.983 -19.413 1.00 0.00 C ATOM 287 O ILE A 19 -5.661 -2.090 -19.249 1.00 0.00 O ATOM 288 CB ILE A 19 -3.637 -0.449 -17.500 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.812 -1.817 -16.838 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.261 0.602 -16.466 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.556 -2.328 -16.167 1.00 0.00 C ATOM 0 H ILE A 19 -6.437 -0.973 -17.117 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.820 0.979 -18.602 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.829 -0.519 -18.228 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.610 -1.754 -16.098 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.131 -2.538 -17.591 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.347 0.299 -15.956 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.100 1.559 -16.962 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.067 0.701 -15.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.753 -3.302 -15.719 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.761 -2.423 -16.907 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.247 -1.628 -15.391 1.00 0.00 H new ATOM 303 N SER A 20 -4.756 -0.536 -20.602 1.00 0.00 N ATOM 304 CA SER A 20 -4.912 -1.339 -21.809 1.00 0.00 C ATOM 305 C SER A 20 -4.239 -2.698 -21.649 1.00 0.00 C ATOM 306 O SER A 20 -3.039 -2.782 -21.381 1.00 0.00 O ATOM 307 CB SER A 20 -4.324 -0.604 -23.015 1.00 0.00 C ATOM 308 OG SER A 20 -5.022 -0.932 -24.204 1.00 0.00 O ATOM 0 H SER A 20 -4.328 0.377 -20.755 1.00 0.00 H new ATOM 0 HA SER A 20 -5.978 -1.499 -21.974 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.371 0.472 -22.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.271 -0.864 -23.125 1.00 0.00 H new ATOM 0 HG SER A 20 -5.987 -0.917 -24.032 1.00 0.00 H new ATOM 314 N LEU A 21 -5.018 -3.761 -21.816 1.00 0.00 N ATOM 315 CA LEU A 21 -4.499 -5.118 -21.690 1.00 0.00 C ATOM 316 C LEU A 21 -3.902 -5.597 -23.010 1.00 0.00 C ATOM 317 O LEU A 21 -3.153 -6.573 -23.046 1.00 0.00 O ATOM 318 CB LEU A 21 -5.609 -6.071 -21.244 1.00 0.00 C ATOM 319 CG LEU A 21 -6.994 -5.813 -21.838 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.952 -5.915 -23.354 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.011 -6.788 -21.263 1.00 0.00 C ATOM 0 H LEU A 21 -6.012 -3.709 -22.039 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.711 -5.111 -20.937 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.311 -7.088 -21.498 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.687 -6.023 -20.158 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.300 -4.801 -21.571 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.947 -5.728 -23.759 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.255 -5.176 -23.749 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.624 -6.914 -23.643 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.991 -6.590 -21.697 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.710 -7.809 -21.498 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.062 -6.665 -20.181 1.00 0.00 H new ATOM 333 N SER A 22 -4.237 -4.902 -24.092 1.00 0.00 N ATOM 334 CA SER A 22 -3.736 -5.256 -25.414 1.00 0.00 C ATOM 335 C SER A 22 -2.327 -4.710 -25.626 1.00 0.00 C ATOM 336 O SER A 22 -1.444 -5.414 -26.113 1.00 0.00 O ATOM 337 CB SER A 22 -4.672 -4.719 -26.499 1.00 0.00 C ATOM 338 OG SER A 22 -5.777 -5.584 -26.692 1.00 0.00 O ATOM 0 H SER A 22 -4.854 -4.090 -24.079 1.00 0.00 H new ATOM 0 HA SER A 22 -3.699 -6.343 -25.482 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.027 -3.727 -26.219 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.124 -4.609 -27.435 1.00 0.00 H new ATOM 0 HG SER A 22 -6.361 -5.218 -27.389 1.00 0.00 H new ATOM 344 N GLU A 23 -2.126 -3.449 -25.256 1.00 0.00 N ATOM 345 CA GLU A 23 -0.826 -2.807 -25.406 1.00 0.00 C ATOM 346 C GLU A 23 0.197 -3.422 -24.455 1.00 0.00 C ATOM 347 O GLU A 23 1.400 -3.401 -24.720 1.00 0.00 O ATOM 348 CB GLU A 23 -0.941 -1.304 -25.145 1.00 0.00 C ATOM 349 CG GLU A 23 -1.927 -0.601 -26.063 1.00 0.00 C ATOM 350 CD GLU A 23 -1.271 -0.058 -27.318 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.709 -0.862 -28.090 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.320 1.173 -27.527 1.00 0.00 O ATOM 0 H GLU A 23 -2.847 -2.852 -24.850 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.487 -2.966 -26.430 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.244 -1.146 -24.110 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.042 -0.847 -25.263 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.717 -1.298 -26.343 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.401 0.218 -25.522 1.00 0.00 H new ATOM 359 N LEU A 24 -0.289 -3.969 -23.346 1.00 0.00 N ATOM 360 CA LEU A 24 0.582 -4.591 -22.354 1.00 0.00 C ATOM 361 C LEU A 24 1.335 -5.773 -22.955 1.00 0.00 C ATOM 362 O LEU A 24 2.566 -5.774 -23.015 1.00 0.00 O ATOM 363 CB LEU A 24 -0.235 -5.052 -21.147 1.00 0.00 C ATOM 364 CG LEU A 24 0.440 -6.073 -20.230 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.191 -7.487 -20.731 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.932 -5.795 -20.130 1.00 0.00 C ATOM 0 H LEU A 24 -1.281 -3.995 -23.111 1.00 0.00 H new ATOM 0 HA LEU A 24 1.310 -3.848 -22.029 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.494 -4.176 -20.553 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.170 -5.480 -21.508 1.00 0.00 H new ATOM 0 HG LEU A 24 0.006 -5.981 -19.234 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.679 -8.200 -20.066 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.881 -7.683 -20.749 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.597 -7.593 -21.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.396 -6.531 -19.474 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.381 -5.858 -21.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.090 -4.796 -19.724 1.00 0.00 H new ATOM 378 N THR A 25 0.589 -6.779 -23.401 1.00 0.00 N ATOM 379 CA THR A 25 1.185 -7.967 -23.998 1.00 0.00 C ATOM 380 C THR A 25 2.132 -7.595 -25.134 1.00 0.00 C ATOM 381 O THR A 25 3.162 -8.239 -25.332 1.00 0.00 O ATOM 382 CB THR A 25 0.108 -8.927 -24.537 1.00 0.00 C ATOM 383 OG1 THR A 25 0.713 -9.936 -25.352 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.935 -8.170 -25.347 1.00 0.00 C ATOM 0 H THR A 25 -0.430 -6.794 -23.360 1.00 0.00 H new ATOM 0 HA THR A 25 1.746 -8.469 -23.209 1.00 0.00 H new ATOM 0 HB THR A 25 -0.386 -9.397 -23.687 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.643 -9.680 -26.295 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.685 -8.869 -25.717 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.415 -7.423 -24.715 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.452 -7.675 -26.190 1.00 0.00 H new ATOM 392 N ASP A 26 1.776 -6.553 -25.877 1.00 0.00 N ATOM 393 CA ASP A 26 2.596 -6.094 -26.992 1.00 0.00 C ATOM 394 C ASP A 26 3.771 -5.258 -26.496 1.00 0.00 C ATOM 395 O ASP A 26 4.766 -5.088 -27.200 1.00 0.00 O ATOM 396 CB ASP A 26 1.751 -5.277 -27.971 1.00 0.00 C ATOM 397 CG ASP A 26 2.305 -5.311 -29.382 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.244 -4.539 -29.669 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.800 -6.109 -30.199 1.00 0.00 O ATOM 0 H ASP A 26 0.925 -6.010 -25.727 1.00 0.00 H new ATOM 0 HA ASP A 26 2.989 -6.971 -27.506 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.731 -5.662 -27.975 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.701 -4.243 -27.628 1.00 0.00 H new ATOM 404 N ALA A 27 3.648 -4.737 -25.279 1.00 0.00 N ATOM 405 CA ALA A 27 4.701 -3.920 -24.688 1.00 0.00 C ATOM 406 C ALA A 27 5.725 -4.785 -23.961 1.00 0.00 C ATOM 407 O ALA A 27 6.908 -4.448 -23.903 1.00 0.00 O ATOM 408 CB ALA A 27 4.101 -2.895 -23.736 1.00 0.00 C ATOM 0 H ALA A 27 2.830 -4.866 -24.684 1.00 0.00 H new ATOM 0 HA ALA A 27 5.215 -3.395 -25.493 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.898 -2.292 -23.302 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.414 -2.249 -24.283 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.561 -3.409 -22.941 1.00 0.00 H new ATOM 414 N LEU A 28 5.263 -5.901 -23.407 1.00 0.00 N ATOM 415 CA LEU A 28 6.139 -6.815 -22.683 1.00 0.00 C ATOM 416 C LEU A 28 7.359 -7.181 -23.523 1.00 0.00 C ATOM 417 O LEU A 28 8.409 -7.536 -22.988 1.00 0.00 O ATOM 418 CB LEU A 28 5.376 -8.082 -22.292 1.00 0.00 C ATOM 419 CG LEU A 28 4.756 -8.087 -20.894 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.881 -9.317 -20.704 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.841 -8.032 -19.829 1.00 0.00 C ATOM 0 H LEU A 28 4.287 -6.194 -23.446 1.00 0.00 H new ATOM 0 HA LEU A 28 6.481 -6.311 -21.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.582 -8.243 -23.021 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.056 -8.930 -22.369 1.00 0.00 H new ATOM 0 HG LEU A 28 4.130 -7.201 -20.791 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.448 -9.304 -19.704 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.082 -9.313 -21.446 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.485 -10.216 -20.826 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.381 -8.036 -18.841 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.494 -8.899 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.427 -7.121 -19.953 1.00 0.00 H new ATOM 433 N ARG A 29 7.212 -7.089 -24.840 1.00 0.00 N ATOM 434 CA ARG A 29 8.302 -7.409 -25.754 1.00 0.00 C ATOM 435 C ARG A 29 9.512 -6.518 -25.490 1.00 0.00 C ATOM 436 O ARG A 29 10.657 -6.943 -25.650 1.00 0.00 O ATOM 437 CB ARG A 29 7.844 -7.248 -27.205 1.00 0.00 C ATOM 438 CG ARG A 29 7.659 -5.800 -27.628 1.00 0.00 C ATOM 439 CD ARG A 29 7.026 -5.699 -29.007 1.00 0.00 C ATOM 440 NE ARG A 29 7.996 -5.314 -30.028 1.00 0.00 N ATOM 441 CZ ARG A 29 7.658 -4.822 -31.215 1.00 0.00 C ATOM 442 NH1 ARG A 29 6.380 -4.656 -31.528 1.00 0.00 N ATOM 443 NH2 ARG A 29 8.599 -4.494 -32.091 1.00 0.00 N ATOM 0 H ARG A 29 6.349 -6.796 -25.298 1.00 0.00 H new ATOM 0 HA ARG A 29 8.592 -8.446 -25.585 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.575 -7.719 -27.862 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.903 -7.781 -27.341 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.032 -5.284 -26.900 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.625 -5.295 -27.632 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.581 -6.658 -29.273 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.217 -4.969 -28.982 1.00 0.00 H new ATOM 0 HE ARG A 29 8.988 -5.429 -29.819 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.654 -4.906 -30.857 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.123 -4.278 -32.440 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.583 -4.620 -31.853 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.338 -4.116 -33.002 1.00 0.00 H new ATOM 457 N THR A 30 9.252 -5.279 -25.086 1.00 0.00 N ATOM 458 CA THR A 30 10.319 -4.327 -24.801 1.00 0.00 C ATOM 459 C THR A 30 10.988 -4.635 -23.467 1.00 0.00 C ATOM 460 O THR A 30 12.159 -4.313 -23.259 1.00 0.00 O ATOM 461 CB THR A 30 9.789 -2.881 -24.776 1.00 0.00 C ATOM 462 OG1 THR A 30 10.849 -1.966 -25.076 1.00 0.00 O ATOM 463 CG2 THR A 30 9.194 -2.547 -23.417 1.00 0.00 C ATOM 0 H THR A 30 8.311 -4.911 -24.949 1.00 0.00 H new ATOM 0 HA THR A 30 11.052 -4.423 -25.602 1.00 0.00 H new ATOM 0 HB THR A 30 9.007 -2.790 -25.530 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.504 -1.049 -25.060 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.826 -1.521 -23.423 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.369 -3.227 -23.204 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.960 -2.653 -22.649 1.00 0.00 H new ATOM 471 N LEU A 31 10.240 -5.260 -22.565 1.00 0.00 N ATOM 472 CA LEU A 31 10.762 -5.612 -21.249 1.00 0.00 C ATOM 473 C LEU A 31 11.647 -6.851 -21.328 1.00 0.00 C ATOM 474 O LEU A 31 12.238 -7.269 -20.333 1.00 0.00 O ATOM 475 CB LEU A 31 9.611 -5.855 -20.270 1.00 0.00 C ATOM 476 CG LEU A 31 9.239 -4.679 -19.367 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.432 -4.254 -18.525 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.726 -3.511 -20.196 1.00 0.00 C ATOM 0 H LEU A 31 9.270 -5.534 -22.721 1.00 0.00 H new ATOM 0 HA LEU A 31 11.366 -4.779 -20.890 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.728 -6.141 -20.842 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.871 -6.704 -19.638 1.00 0.00 H new ATOM 0 HG LEU A 31 8.442 -5.000 -18.696 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.148 -3.416 -17.889 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.754 -5.089 -17.903 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.250 -3.952 -19.179 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.466 -2.683 -19.536 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.501 -3.191 -20.892 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.843 -3.821 -20.754 1.00 0.00 H new ATOM 490 N GLY A 32 11.735 -7.435 -22.520 1.00 0.00 N ATOM 491 CA GLY A 32 12.552 -8.619 -22.707 1.00 0.00 C ATOM 492 C GLY A 32 11.792 -9.899 -22.422 1.00 0.00 C ATOM 493 O GLY A 32 12.382 -10.978 -22.356 1.00 0.00 O ATOM 0 H GLY A 32 11.255 -7.109 -23.359 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.924 -8.642 -23.731 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.422 -8.563 -22.053 1.00 0.00 H new ATOM 497 N SER A 33 10.479 -9.780 -22.250 1.00 0.00 N ATOM 498 CA SER A 33 9.638 -10.936 -21.964 1.00 0.00 C ATOM 499 C SER A 33 9.543 -11.853 -23.180 1.00 0.00 C ATOM 500 O SER A 33 9.281 -11.401 -24.295 1.00 0.00 O ATOM 501 CB SER A 33 8.239 -10.484 -21.542 1.00 0.00 C ATOM 502 OG SER A 33 7.958 -10.871 -20.209 1.00 0.00 O ATOM 0 H SER A 33 9.975 -8.895 -22.304 1.00 0.00 H new ATOM 0 HA SER A 33 10.095 -11.492 -21.145 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.161 -9.401 -21.634 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.496 -10.915 -22.213 1.00 0.00 H new ATOM 0 HG SER A 33 6.995 -11.020 -20.108 1.00 0.00 H new ATOM 508 N THR A 34 9.758 -13.146 -22.957 1.00 0.00 N ATOM 509 CA THR A 34 9.699 -14.127 -24.033 1.00 0.00 C ATOM 510 C THR A 34 8.380 -14.891 -24.008 1.00 0.00 C ATOM 511 O THR A 34 8.290 -16.009 -24.515 1.00 0.00 O ATOM 512 CB THR A 34 10.863 -15.132 -23.942 1.00 0.00 C ATOM 513 OG1 THR A 34 10.903 -15.944 -25.121 1.00 0.00 O ATOM 514 CG2 THR A 34 10.718 -16.019 -22.714 1.00 0.00 C ATOM 0 H THR A 34 9.975 -13.538 -22.041 1.00 0.00 H new ATOM 0 HA THR A 34 9.779 -13.574 -24.969 1.00 0.00 H new ATOM 0 HB THR A 34 11.793 -14.570 -23.857 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.999 -16.260 -25.331 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.551 -16.720 -22.671 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.718 -15.401 -21.816 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.781 -16.572 -22.774 1.00 0.00 H new ATOM 522 N SER A 35 7.359 -14.281 -23.415 1.00 0.00 N ATOM 523 CA SER A 35 6.045 -14.905 -23.321 1.00 0.00 C ATOM 524 C SER A 35 4.949 -13.931 -23.740 1.00 0.00 C ATOM 525 O SER A 35 3.776 -14.121 -23.417 1.00 0.00 O ATOM 526 CB SER A 35 5.790 -15.395 -21.894 1.00 0.00 C ATOM 527 OG SER A 35 6.690 -16.431 -21.542 1.00 0.00 O ATOM 0 H SER A 35 7.417 -13.355 -22.992 1.00 0.00 H new ATOM 0 HA SER A 35 6.027 -15.758 -23.999 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.896 -14.564 -21.196 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.765 -15.755 -21.807 1.00 0.00 H new ATOM 0 HG SER A 35 6.507 -16.725 -20.625 1.00 0.00 H new ATOM 533 N ALA A 36 5.339 -12.885 -24.461 1.00 0.00 N ATOM 534 CA ALA A 36 4.391 -11.881 -24.927 1.00 0.00 C ATOM 535 C ALA A 36 3.232 -12.526 -25.678 1.00 0.00 C ATOM 536 O ALA A 36 2.137 -11.967 -25.748 1.00 0.00 O ATOM 537 CB ALA A 36 5.093 -10.862 -25.812 1.00 0.00 C ATOM 0 H ALA A 36 6.306 -12.711 -24.735 1.00 0.00 H new ATOM 0 HA ALA A 36 3.985 -11.370 -24.054 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.373 -10.118 -26.153 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.882 -10.369 -25.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.528 -11.367 -26.674 1.00 0.00 H new ATOM 543 N ASP A 37 3.479 -13.706 -26.237 1.00 0.00 N ATOM 544 CA ASP A 37 2.455 -14.428 -26.983 1.00 0.00 C ATOM 545 C ASP A 37 1.546 -15.210 -26.040 1.00 0.00 C ATOM 546 O ASP A 37 0.357 -15.379 -26.307 1.00 0.00 O ATOM 547 CB ASP A 37 3.103 -15.378 -27.992 1.00 0.00 C ATOM 548 CG ASP A 37 2.137 -16.430 -28.500 1.00 0.00 C ATOM 549 OD1 ASP A 37 1.108 -16.051 -29.099 1.00 0.00 O ATOM 550 OD2 ASP A 37 2.409 -17.631 -28.299 1.00 0.00 O ATOM 0 H ASP A 37 4.379 -14.183 -26.188 1.00 0.00 H new ATOM 0 HA ASP A 37 1.849 -13.698 -27.520 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.485 -14.802 -28.835 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.958 -15.868 -27.527 1.00 0.00 H new ATOM 555 N GLU A 38 2.116 -15.686 -24.937 1.00 0.00 N ATOM 556 CA GLU A 38 1.356 -16.453 -23.956 1.00 0.00 C ATOM 557 C GLU A 38 0.569 -15.527 -23.033 1.00 0.00 C ATOM 558 O GLU A 38 -0.509 -15.880 -22.554 1.00 0.00 O ATOM 559 CB GLU A 38 2.294 -17.336 -23.130 1.00 0.00 C ATOM 560 CG GLU A 38 1.567 -18.271 -22.177 1.00 0.00 C ATOM 561 CD GLU A 38 1.022 -19.504 -22.872 1.00 0.00 C ATOM 562 OE1 GLU A 38 1.736 -20.067 -23.728 1.00 0.00 O ATOM 563 OE2 GLU A 38 -0.118 -19.905 -22.560 1.00 0.00 O ATOM 0 H GLU A 38 3.099 -15.554 -24.701 1.00 0.00 H new ATOM 0 HA GLU A 38 0.651 -17.086 -24.494 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.911 -17.928 -23.806 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.968 -16.699 -22.557 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.249 -18.577 -21.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.746 -17.734 -21.702 1.00 0.00 H new ATOM 570 N VAL A 39 1.115 -14.340 -22.789 1.00 0.00 N ATOM 571 CA VAL A 39 0.464 -13.362 -21.925 1.00 0.00 C ATOM 572 C VAL A 39 -0.766 -12.765 -22.599 1.00 0.00 C ATOM 573 O VAL A 39 -1.756 -12.450 -21.939 1.00 0.00 O ATOM 574 CB VAL A 39 1.428 -12.224 -21.540 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.796 -11.399 -22.764 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.812 -11.346 -20.461 1.00 0.00 C ATOM 0 H VAL A 39 2.007 -14.032 -23.177 1.00 0.00 H new ATOM 0 HA VAL A 39 0.159 -13.891 -21.022 1.00 0.00 H new ATOM 0 HB VAL A 39 2.341 -12.665 -21.140 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.478 -10.600 -22.473 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.281 -12.039 -23.502 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.894 -10.967 -23.196 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.507 -10.547 -20.201 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.117 -10.913 -20.831 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.604 -11.948 -19.576 1.00 0.00 H new ATOM 586 N GLN A 40 -0.697 -12.614 -23.918 1.00 0.00 N ATOM 587 CA GLN A 40 -1.806 -12.054 -24.682 1.00 0.00 C ATOM 588 C GLN A 40 -3.077 -12.871 -24.473 1.00 0.00 C ATOM 589 O GLN A 40 -4.169 -12.316 -24.351 1.00 0.00 O ATOM 590 CB GLN A 40 -1.455 -12.006 -26.170 1.00 0.00 C ATOM 591 CG GLN A 40 -2.666 -12.099 -27.084 1.00 0.00 C ATOM 592 CD GLN A 40 -2.292 -12.075 -28.552 1.00 0.00 C ATOM 593 OE1 GLN A 40 -1.257 -12.825 -28.912 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.926 -11.390 -29.356 1.00 0.00 N flip ATOM 0 H GLN A 40 0.115 -12.871 -24.479 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.985 -11.040 -24.326 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.923 -11.078 -26.379 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.773 -12.824 -26.400 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.211 -13.018 -26.867 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.341 -11.270 -26.871 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.715 -10.828 -29.036 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.662 -11.385 -30.341 1.00 0.00 H new ATOM 603 N ARG A 41 -2.927 -14.191 -24.433 1.00 0.00 N ATOM 604 CA ARG A 41 -4.063 -15.084 -24.241 1.00 0.00 C ATOM 605 C ARG A 41 -4.417 -15.203 -22.761 1.00 0.00 C ATOM 606 O ARG A 41 -5.532 -15.584 -22.409 1.00 0.00 O ATOM 607 CB ARG A 41 -3.755 -16.467 -24.816 1.00 0.00 C ATOM 608 CG ARG A 41 -2.484 -17.089 -24.258 1.00 0.00 C ATOM 609 CD ARG A 41 -2.202 -18.442 -24.892 1.00 0.00 C ATOM 610 NE ARG A 41 -3.016 -19.503 -24.305 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.999 -20.762 -24.727 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.213 -21.116 -25.735 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.768 -21.670 -24.141 1.00 0.00 N ATOM 0 H ARG A 41 -2.029 -14.666 -24.531 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.918 -14.662 -24.768 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.595 -17.131 -24.612 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.666 -16.389 -25.900 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.642 -16.420 -24.435 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.578 -17.204 -23.178 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.396 -18.387 -25.963 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.147 -18.686 -24.771 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.632 -19.264 -23.528 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.620 -20.421 -26.188 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.202 -22.084 -26.057 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.373 -21.402 -23.365 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.754 -22.637 -24.466 1.00 0.00 H new ATOM 627 N MET A 42 -3.458 -14.874 -21.901 1.00 0.00 N ATOM 628 CA MET A 42 -3.669 -14.944 -20.460 1.00 0.00 C ATOM 629 C MET A 42 -4.467 -13.740 -19.968 1.00 0.00 C ATOM 630 O MET A 42 -5.444 -13.889 -19.235 1.00 0.00 O ATOM 631 CB MET A 42 -2.327 -15.013 -19.729 1.00 0.00 C ATOM 632 CG MET A 42 -1.592 -16.328 -19.933 1.00 0.00 C ATOM 633 SD MET A 42 -2.033 -17.569 -18.701 1.00 0.00 S ATOM 634 CE MET A 42 -2.686 -18.867 -19.748 1.00 0.00 C ATOM 0 H MET A 42 -2.529 -14.557 -22.177 1.00 0.00 H new ATOM 0 HA MET A 42 -4.239 -15.848 -20.245 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.693 -14.195 -20.071 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.495 -14.861 -18.663 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.815 -16.714 -20.928 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.518 -16.149 -19.894 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.003 -19.708 -19.131 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.540 -18.487 -20.309 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.914 -19.197 -20.442 1.00 0.00 H new ATOM 644 N MET A 43 -4.043 -12.548 -20.376 1.00 0.00 N ATOM 645 CA MET A 43 -4.720 -11.320 -19.977 1.00 0.00 C ATOM 646 C MET A 43 -6.199 -11.368 -20.348 1.00 0.00 C ATOM 647 O MET A 43 -7.022 -10.682 -19.744 1.00 0.00 O ATOM 648 CB MET A 43 -4.056 -10.109 -20.638 1.00 0.00 C ATOM 649 CG MET A 43 -3.879 -10.258 -22.140 1.00 0.00 C ATOM 650 SD MET A 43 -5.149 -9.387 -23.078 1.00 0.00 S ATOM 651 CE MET A 43 -4.283 -9.080 -24.616 1.00 0.00 C ATOM 0 H MET A 43 -3.235 -12.407 -20.982 1.00 0.00 H new ATOM 0 HA MET A 43 -4.638 -11.225 -18.894 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.656 -9.221 -20.437 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.081 -9.945 -20.180 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.898 -9.879 -22.426 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.901 -11.316 -22.401 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.884 -8.426 -25.248 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.326 -8.602 -24.406 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.111 -10.025 -25.132 1.00 0.00 H new ATOM 661 N ALA A 44 -6.528 -12.184 -21.344 1.00 0.00 N ATOM 662 CA ALA A 44 -7.908 -12.323 -21.794 1.00 0.00 C ATOM 663 C ALA A 44 -8.766 -12.998 -20.730 1.00 0.00 C ATOM 664 O ALA A 44 -9.989 -12.866 -20.730 1.00 0.00 O ATOM 665 CB ALA A 44 -7.962 -13.108 -23.096 1.00 0.00 C ATOM 0 H ALA A 44 -5.858 -12.759 -21.855 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.310 -11.325 -21.968 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.998 -13.204 -23.420 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.390 -12.584 -23.861 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.537 -14.100 -22.941 1.00 0.00 H new ATOM 671 N GLU A 45 -8.116 -13.724 -19.824 1.00 0.00 N ATOM 672 CA GLU A 45 -8.822 -14.421 -18.756 1.00 0.00 C ATOM 673 C GLU A 45 -9.342 -13.435 -17.713 1.00 0.00 C ATOM 674 O GLU A 45 -10.496 -13.513 -17.291 1.00 0.00 O ATOM 675 CB GLU A 45 -7.901 -15.446 -18.091 1.00 0.00 C ATOM 676 CG GLU A 45 -7.400 -16.521 -19.041 1.00 0.00 C ATOM 677 CD GLU A 45 -6.828 -17.722 -18.313 1.00 0.00 C ATOM 678 OE1 GLU A 45 -7.621 -18.511 -17.757 1.00 0.00 O ATOM 679 OE2 GLU A 45 -5.589 -17.873 -18.300 1.00 0.00 O ATOM 0 H GLU A 45 -7.103 -13.844 -19.809 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.674 -14.940 -19.196 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.045 -14.927 -17.659 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.434 -15.921 -17.267 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.220 -16.846 -19.681 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.635 -16.098 -19.692 1.00 0.00 H new ATOM 686 N ILE A 46 -8.481 -12.510 -17.302 1.00 0.00 N ATOM 687 CA ILE A 46 -8.853 -11.509 -16.310 1.00 0.00 C ATOM 688 C ILE A 46 -9.876 -10.529 -16.874 1.00 0.00 C ATOM 689 O ILE A 46 -10.711 -9.999 -16.143 1.00 0.00 O ATOM 690 CB ILE A 46 -7.624 -10.724 -15.815 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.873 -10.111 -16.999 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.705 -11.630 -15.009 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.794 -9.133 -16.589 1.00 0.00 C ATOM 0 H ILE A 46 -7.522 -12.433 -17.640 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.294 -12.046 -15.470 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.964 -9.916 -15.167 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.423 -10.911 -17.587 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.586 -9.602 -17.647 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.841 -11.060 -14.666 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.245 -12.023 -14.148 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.369 -12.457 -15.635 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.304 -8.738 -17.479 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.241 -8.313 -16.027 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.059 -9.642 -15.966 1.00 0.00 H new ATOM 705 N ASP A 47 -9.804 -10.294 -18.180 1.00 0.00 N ATOM 706 CA ASP A 47 -10.725 -9.378 -18.843 1.00 0.00 C ATOM 707 C ASP A 47 -12.094 -10.024 -19.031 1.00 0.00 C ATOM 708 O ASP A 47 -12.252 -10.949 -19.829 1.00 0.00 O ATOM 709 CB ASP A 47 -10.161 -8.948 -20.199 1.00 0.00 C ATOM 710 CG ASP A 47 -10.890 -7.750 -20.773 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.593 -7.017 -19.918 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.821 -7.486 -21.974 1.00 0.00 O ATOM 0 H ASP A 47 -9.118 -10.725 -18.800 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.842 -8.499 -18.210 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.103 -8.709 -20.090 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.229 -9.781 -20.899 1.00 0.00 H new ATOM 717 N THR A 48 -13.082 -9.530 -18.291 1.00 0.00 N ATOM 718 CA THR A 48 -14.437 -10.059 -18.375 1.00 0.00 C ATOM 719 C THR A 48 -15.288 -9.239 -19.338 1.00 0.00 C ATOM 720 O THR A 48 -16.343 -9.690 -19.787 1.00 0.00 O ATOM 721 CB THR A 48 -15.119 -10.079 -16.994 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.325 -10.849 -17.054 1.00 0.00 O ATOM 723 CG2 THR A 48 -15.437 -8.666 -16.528 1.00 0.00 C ATOM 0 H THR A 48 -12.969 -8.764 -17.627 1.00 0.00 H new ATOM 0 HA THR A 48 -14.355 -11.081 -18.746 1.00 0.00 H new ATOM 0 HB THR A 48 -14.432 -10.535 -16.281 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.661 -10.859 -17.974 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.918 -8.705 -15.551 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.514 -8.090 -16.456 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.107 -8.189 -17.243 1.00 0.00 H new ATOM 731 N ASP A 49 -14.824 -8.035 -19.652 1.00 0.00 N ATOM 732 CA ASP A 49 -15.543 -7.153 -20.565 1.00 0.00 C ATOM 733 C ASP A 49 -14.925 -7.193 -21.959 1.00 0.00 C ATOM 734 O ASP A 49 -15.369 -6.490 -22.866 1.00 0.00 O ATOM 735 CB ASP A 49 -15.536 -5.719 -20.032 1.00 0.00 C ATOM 736 CG ASP A 49 -14.910 -5.615 -18.655 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.639 -5.790 -17.657 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.690 -5.360 -18.576 1.00 0.00 O ATOM 0 H ASP A 49 -13.954 -7.647 -19.288 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.573 -7.503 -20.634 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.990 -5.080 -20.725 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.559 -5.345 -19.992 1.00 0.00 H new ATOM 743 N GLY A 50 -13.898 -8.021 -22.122 1.00 0.00 N ATOM 744 CA GLY A 50 -13.235 -8.137 -23.408 1.00 0.00 C ATOM 745 C GLY A 50 -12.903 -6.787 -24.013 1.00 0.00 C ATOM 746 O GLY A 50 -12.915 -6.626 -25.233 1.00 0.00 O ATOM 0 H GLY A 50 -13.513 -8.614 -21.387 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.318 -8.714 -23.290 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.875 -8.692 -24.094 1.00 0.00 H new ATOM 750 N ASP A 51 -12.607 -5.814 -23.158 1.00 0.00 N ATOM 751 CA ASP A 51 -12.271 -4.471 -23.615 1.00 0.00 C ATOM 752 C ASP A 51 -10.770 -4.221 -23.510 1.00 0.00 C ATOM 753 O ASP A 51 -10.041 -5.006 -22.905 1.00 0.00 O ATOM 754 CB ASP A 51 -13.033 -3.426 -22.798 1.00 0.00 C ATOM 755 CG ASP A 51 -12.440 -3.225 -21.418 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.156 -4.235 -20.741 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.259 -2.057 -21.014 1.00 0.00 O ATOM 0 H ASP A 51 -12.593 -5.931 -22.145 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.563 -4.386 -24.662 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.029 -2.477 -23.334 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.074 -3.733 -22.702 1.00 0.00 H new ATOM 762 N GLY A 52 -10.315 -3.122 -24.104 1.00 0.00 N ATOM 763 CA GLY A 52 -8.903 -2.789 -24.067 1.00 0.00 C ATOM 764 C GLY A 52 -8.517 -2.039 -22.808 1.00 0.00 C ATOM 765 O GLY A 52 -7.851 -1.006 -22.871 1.00 0.00 O ATOM 0 H GLY A 52 -10.899 -2.456 -24.610 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.315 -3.704 -24.136 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.653 -2.183 -24.938 1.00 0.00 H new ATOM 769 N PHE A 53 -8.937 -2.559 -21.659 1.00 0.00 N ATOM 770 CA PHE A 53 -8.634 -1.930 -20.379 1.00 0.00 C ATOM 771 C PHE A 53 -8.925 -2.882 -19.223 1.00 0.00 C ATOM 772 O PHE A 53 -9.855 -3.686 -19.286 1.00 0.00 O ATOM 773 CB PHE A 53 -9.447 -0.645 -20.213 1.00 0.00 C ATOM 774 CG PHE A 53 -8.786 0.564 -20.810 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.605 1.057 -20.279 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.345 1.208 -21.902 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.995 2.170 -20.826 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.739 2.321 -22.454 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.562 2.802 -21.915 1.00 0.00 C ATOM 0 H PHE A 53 -9.488 -3.414 -21.588 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.572 -1.684 -20.366 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.424 -0.781 -20.676 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.619 -0.468 -19.151 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.156 0.566 -19.428 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.265 0.836 -22.327 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.075 2.545 -20.402 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.185 2.814 -23.305 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.086 3.671 -22.344 1.00 0.00 H new ATOM 789 N ILE A 54 -8.122 -2.786 -18.168 1.00 0.00 N ATOM 790 CA ILE A 54 -8.293 -3.637 -16.998 1.00 0.00 C ATOM 791 C ILE A 54 -8.092 -2.847 -15.709 1.00 0.00 C ATOM 792 O ILE A 54 -7.160 -2.051 -15.596 1.00 0.00 O ATOM 793 CB ILE A 54 -7.311 -4.824 -17.017 1.00 0.00 C ATOM 794 CG1 ILE A 54 -5.881 -4.328 -17.237 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.704 -5.819 -18.099 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.824 -5.343 -16.861 1.00 0.00 C ATOM 0 H ILE A 54 -7.347 -2.127 -18.100 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.313 -4.019 -17.032 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.356 -5.329 -16.052 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.756 -4.057 -18.285 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.726 -3.421 -16.653 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.001 -6.652 -18.100 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.709 -6.193 -17.902 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.684 -5.326 -19.071 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.835 -4.923 -17.043 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.922 -5.596 -15.805 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.953 -6.242 -17.463 1.00 0.00 H new ATOM 808 N ASP A 55 -8.972 -3.074 -14.740 1.00 0.00 N ATOM 809 CA ASP A 55 -8.891 -2.386 -13.457 1.00 0.00 C ATOM 810 C ASP A 55 -7.971 -3.133 -12.497 1.00 0.00 C ATOM 811 O ASP A 55 -7.263 -4.060 -12.893 1.00 0.00 O ATOM 812 CB ASP A 55 -10.283 -2.243 -12.841 1.00 0.00 C ATOM 813 CG ASP A 55 -10.653 -0.797 -12.576 1.00 0.00 C ATOM 814 OD1 ASP A 55 -10.089 -0.204 -11.633 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.508 -0.258 -13.310 1.00 0.00 O ATOM 0 H ASP A 55 -9.750 -3.729 -14.819 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.476 -1.393 -13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.020 -2.687 -13.510 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.323 -2.802 -11.906 1.00 0.00 H new ATOM 820 N PHE A 56 -7.985 -2.724 -11.232 1.00 0.00 N ATOM 821 CA PHE A 56 -7.151 -3.353 -10.216 1.00 0.00 C ATOM 822 C PHE A 56 -7.548 -4.812 -10.012 1.00 0.00 C ATOM 823 O PHE A 56 -6.694 -5.686 -9.873 1.00 0.00 O ATOM 824 CB PHE A 56 -7.262 -2.593 -8.892 1.00 0.00 C ATOM 825 CG PHE A 56 -6.059 -2.752 -8.007 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.783 -2.555 -8.508 1.00 0.00 C ATOM 827 CD2 PHE A 56 -6.205 -3.099 -6.673 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.674 -2.700 -7.695 1.00 0.00 C ATOM 829 CE2 PHE A 56 -5.100 -3.245 -5.856 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.833 -3.047 -6.368 1.00 0.00 C ATOM 0 H PHE A 56 -8.565 -1.959 -10.887 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.117 -3.321 -10.560 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.411 -1.534 -9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.146 -2.940 -8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.653 -2.285 -9.546 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.193 -3.257 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.684 -2.542 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.227 -3.514 -4.818 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.968 -3.163 -5.732 1.00 0.00 H new ATOM 840 N ASN A 57 -8.853 -5.067 -9.996 1.00 0.00 N ATOM 841 CA ASN A 57 -9.365 -6.420 -9.809 1.00 0.00 C ATOM 842 C ASN A 57 -8.990 -7.312 -10.988 1.00 0.00 C ATOM 843 O ASN A 57 -8.688 -8.492 -10.814 1.00 0.00 O ATOM 844 CB ASN A 57 -10.885 -6.392 -9.639 1.00 0.00 C ATOM 845 CG ASN A 57 -11.334 -7.035 -8.341 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.304 -7.792 -8.312 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.627 -6.734 -7.257 1.00 0.00 N ATOM 0 H ASN A 57 -9.574 -4.355 -10.110 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.912 -6.832 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.232 -5.359 -9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.351 -6.909 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.881 -7.136 -6.355 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -9.830 -6.101 -7.327 1.00 0.00 H new ATOM 854 N GLU A 58 -9.010 -6.738 -12.187 1.00 0.00 N ATOM 855 CA GLU A 58 -8.672 -7.482 -13.395 1.00 0.00 C ATOM 856 C GLU A 58 -7.181 -7.804 -13.436 1.00 0.00 C ATOM 857 O GLU A 58 -6.788 -8.967 -13.537 1.00 0.00 O ATOM 858 CB GLU A 58 -9.067 -6.684 -14.640 1.00 0.00 C ATOM 859 CG GLU A 58 -10.562 -6.675 -14.908 1.00 0.00 C ATOM 860 CD GLU A 58 -10.906 -6.124 -16.278 1.00 0.00 C ATOM 861 OE1 GLU A 58 -10.318 -6.598 -17.272 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.762 -5.218 -16.355 1.00 0.00 O ATOM 0 H GLU A 58 -9.256 -5.761 -12.348 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.229 -8.419 -13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.720 -5.657 -14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.554 -7.101 -15.506 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.949 -7.690 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.061 -6.078 -14.145 1.00 0.00 H new ATOM 869 N PHE A 59 -6.355 -6.766 -13.357 1.00 0.00 N ATOM 870 CA PHE A 59 -4.907 -6.937 -13.387 1.00 0.00 C ATOM 871 C PHE A 59 -4.446 -7.862 -12.263 1.00 0.00 C ATOM 872 O PHE A 59 -3.522 -8.657 -12.440 1.00 0.00 O ATOM 873 CB PHE A 59 -4.209 -5.581 -13.265 1.00 0.00 C ATOM 874 CG PHE A 59 -2.743 -5.630 -13.590 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.302 -6.185 -14.780 1.00 0.00 C ATOM 876 CD2 PHE A 59 -1.807 -5.122 -12.704 1.00 0.00 C ATOM 877 CE1 PHE A 59 -0.954 -6.231 -15.082 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.458 -5.165 -13.000 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.031 -5.721 -14.190 1.00 0.00 C ATOM 0 H PHE A 59 -6.664 -5.798 -13.272 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.639 -7.391 -14.341 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.697 -4.869 -13.931 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.336 -5.206 -12.249 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.020 -6.586 -15.480 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.135 -4.687 -11.771 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.623 -6.665 -16.014 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.262 -4.764 -12.302 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.023 -5.757 -14.423 1.00 0.00 H new ATOM 889 N ILE A 60 -5.094 -7.749 -11.109 1.00 0.00 N ATOM 890 CA ILE A 60 -4.751 -8.574 -9.957 1.00 0.00 C ATOM 891 C ILE A 60 -5.060 -10.044 -10.222 1.00 0.00 C ATOM 892 O ILE A 60 -4.234 -10.919 -9.966 1.00 0.00 O ATOM 893 CB ILE A 60 -5.508 -8.122 -8.695 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.823 -6.904 -8.072 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.591 -9.261 -7.690 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.555 -7.242 -7.320 1.00 0.00 C ATOM 0 H ILE A 60 -5.859 -7.094 -10.947 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.680 -8.454 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.522 -7.840 -8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.589 -6.187 -8.859 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.520 -6.414 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.129 -8.925 -6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.119 -10.103 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.585 -9.571 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.124 -6.331 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.786 -7.935 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.840 -7.704 -8.001 1.00 0.00 H new ATOM 908 N SER A 61 -6.256 -10.307 -10.739 1.00 0.00 N ATOM 909 CA SER A 61 -6.676 -11.672 -11.038 1.00 0.00 C ATOM 910 C SER A 61 -5.600 -12.411 -11.826 1.00 0.00 C ATOM 911 O SER A 61 -5.491 -13.636 -11.753 1.00 0.00 O ATOM 912 CB SER A 61 -7.987 -11.663 -11.827 1.00 0.00 C ATOM 913 OG SER A 61 -9.102 -11.528 -10.963 1.00 0.00 O ATOM 0 H SER A 61 -6.951 -9.594 -10.960 1.00 0.00 H new ATOM 0 HA SER A 61 -6.832 -12.193 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.978 -10.842 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.077 -12.586 -12.400 1.00 0.00 H new ATOM 0 HG SER A 61 -9.211 -10.586 -10.715 1.00 0.00 H new ATOM 919 N PHE A 62 -4.805 -11.659 -12.580 1.00 0.00 N ATOM 920 CA PHE A 62 -3.737 -12.242 -13.383 1.00 0.00 C ATOM 921 C PHE A 62 -2.651 -12.839 -12.493 1.00 0.00 C ATOM 922 O PHE A 62 -2.146 -13.931 -12.759 1.00 0.00 O ATOM 923 CB PHE A 62 -3.130 -11.184 -14.308 1.00 0.00 C ATOM 924 CG PHE A 62 -2.436 -11.763 -15.507 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.418 -12.690 -15.355 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.804 -11.381 -16.788 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.778 -13.224 -16.457 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.167 -11.912 -17.894 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.154 -12.836 -17.728 1.00 0.00 C ATOM 0 H PHE A 62 -4.880 -10.644 -12.652 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.166 -13.041 -13.988 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.919 -10.511 -14.645 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.419 -10.583 -13.742 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.121 -12.999 -14.364 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.597 -10.661 -16.923 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.016 -13.944 -16.325 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.461 -11.605 -18.887 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.657 -13.254 -18.591 1.00 0.00 H new ATOM 939 N CYS A 63 -2.296 -12.116 -11.437 1.00 0.00 N ATOM 940 CA CYS A 63 -1.269 -12.573 -10.508 1.00 0.00 C ATOM 941 C CYS A 63 -1.817 -13.650 -9.578 1.00 0.00 C ATOM 942 O CYS A 63 -1.166 -14.666 -9.338 1.00 0.00 O ATOM 943 CB CYS A 63 -0.735 -11.398 -9.687 1.00 0.00 C ATOM 944 SG CYS A 63 0.511 -11.859 -8.461 1.00 0.00 S ATOM 0 H CYS A 63 -2.704 -11.211 -11.203 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.453 -13.002 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.306 -10.660 -10.365 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.569 -10.916 -9.178 1.00 0.00 H new ATOM 0 HG CYS A 63 1.237 -10.821 -8.168 1.00 0.00 H new ATOM 950 N ASN A 64 -3.018 -13.420 -9.057 1.00 0.00 N ATOM 951 CA ASN A 64 -3.653 -14.370 -8.151 1.00 0.00 C ATOM 952 C ASN A 64 -3.794 -15.739 -8.811 1.00 0.00 C ATOM 953 O ASN A 64 -3.900 -16.759 -8.130 1.00 0.00 O ATOM 954 CB ASN A 64 -5.028 -13.855 -7.721 1.00 0.00 C ATOM 955 CG ASN A 64 -5.043 -13.384 -6.279 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.442 -14.121 -5.378 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.608 -12.149 -6.057 1.00 0.00 N ATOM 0 H ASN A 64 -3.571 -12.584 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.019 -14.474 -7.270 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.325 -13.033 -8.372 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.766 -14.647 -7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.595 -11.776 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.286 -11.574 -6.836 1.00 0.00 H new ATOM 964 N ALA A 65 -3.794 -15.752 -10.140 1.00 0.00 N ATOM 965 CA ALA A 65 -3.919 -16.995 -10.891 1.00 0.00 C ATOM 966 C ALA A 65 -2.573 -17.702 -11.011 1.00 0.00 C ATOM 967 O ALA A 65 -2.513 -18.897 -11.297 1.00 0.00 O ATOM 968 CB ALA A 65 -4.498 -16.721 -12.271 1.00 0.00 C ATOM 0 H ALA A 65 -3.709 -14.916 -10.718 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.598 -17.652 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.586 -17.658 -12.821 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.483 -16.266 -12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.840 -16.042 -12.813 1.00 0.00 H new ATOM 974 N ASN A 66 -1.496 -16.955 -10.791 1.00 0.00 N ATOM 975 CA ASN A 66 -0.150 -17.511 -10.876 1.00 0.00 C ATOM 976 C ASN A 66 0.025 -18.318 -12.158 1.00 0.00 C ATOM 977 O ASN A 66 0.401 -19.491 -12.137 1.00 0.00 O ATOM 978 CB ASN A 66 0.137 -18.394 -9.660 1.00 0.00 C ATOM 979 CG ASN A 66 0.463 -17.583 -8.421 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.629 -17.417 -8.063 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.569 -17.074 -7.758 1.00 0.00 N ATOM 0 H ASN A 66 -1.529 -15.964 -10.553 1.00 0.00 H new ATOM 0 HA ASN A 66 0.558 -16.683 -10.890 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.729 -19.025 -9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.971 -19.059 -9.886 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.411 -16.520 -6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.519 -17.237 -8.091 1.00 0.00 H new ATOM 988 N PRO A 67 -0.253 -17.678 -13.304 1.00 0.00 N ATOM 989 CA PRO A 67 -0.133 -18.317 -14.617 1.00 0.00 C ATOM 990 C PRO A 67 1.319 -18.581 -15.003 1.00 0.00 C ATOM 991 O PRO A 67 1.615 -19.522 -15.738 1.00 0.00 O ATOM 992 CB PRO A 67 -0.762 -17.296 -15.568 1.00 0.00 C ATOM 993 CG PRO A 67 -0.603 -15.986 -14.875 1.00 0.00 C ATOM 994 CD PRO A 67 -0.706 -16.281 -13.404 1.00 0.00 C ATOM 0 HA PRO A 67 -0.615 -19.294 -14.640 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.261 -17.295 -16.536 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.812 -17.521 -15.753 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.358 -15.531 -15.116 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.375 -15.283 -15.187 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.079 -15.612 -12.815 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.727 -16.163 -13.041 1.00 0.00 H new ATOM 1002 N GLY A 68 2.221 -17.743 -14.501 1.00 0.00 N ATOM 1003 CA GLY A 68 3.631 -17.903 -14.804 1.00 0.00 C ATOM 1004 C GLY A 68 4.171 -16.779 -15.666 1.00 0.00 C ATOM 1005 O GLY A 68 5.300 -16.846 -16.152 1.00 0.00 O ATOM 0 H GLY A 68 2.000 -16.957 -13.890 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.197 -17.947 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.784 -18.854 -15.315 1.00 0.00 H new ATOM 1009 N LEU A 69 3.362 -15.742 -15.857 1.00 0.00 N ATOM 1010 CA LEU A 69 3.763 -14.598 -16.668 1.00 0.00 C ATOM 1011 C LEU A 69 4.180 -13.425 -15.786 1.00 0.00 C ATOM 1012 O LEU A 69 5.310 -12.945 -15.868 1.00 0.00 O ATOM 1013 CB LEU A 69 2.619 -14.175 -17.591 1.00 0.00 C ATOM 1014 CG LEU A 69 2.131 -15.232 -18.582 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.293 -15.772 -19.401 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.420 -16.362 -17.851 1.00 0.00 C ATOM 0 H LEU A 69 2.425 -15.670 -15.461 1.00 0.00 H new ATOM 0 HA LEU A 69 4.619 -14.896 -17.274 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.775 -13.868 -16.973 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.938 -13.298 -18.154 1.00 0.00 H new ATOM 0 HG LEU A 69 1.420 -14.763 -19.263 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.927 -16.523 -20.101 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.758 -14.956 -19.955 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.028 -16.224 -18.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.080 -17.105 -18.573 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.108 -16.829 -17.146 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.562 -15.962 -17.310 1.00 0.00 H new ATOM 1028 N MET A 70 3.260 -12.970 -14.942 1.00 0.00 N ATOM 1029 CA MET A 70 3.534 -11.856 -14.042 1.00 0.00 C ATOM 1030 C MET A 70 4.626 -12.221 -13.041 1.00 0.00 C ATOM 1031 O MET A 70 5.253 -11.345 -12.444 1.00 0.00 O ATOM 1032 CB MET A 70 2.260 -11.447 -13.299 1.00 0.00 C ATOM 1033 CG MET A 70 1.112 -11.073 -14.222 1.00 0.00 C ATOM 1034 SD MET A 70 0.936 -9.290 -14.424 1.00 0.00 S ATOM 1035 CE MET A 70 2.149 -8.974 -15.703 1.00 0.00 C ATOM 0 H MET A 70 2.319 -13.355 -14.862 1.00 0.00 H new ATOM 0 HA MET A 70 3.882 -11.015 -14.641 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.945 -12.268 -12.655 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.484 -10.601 -12.650 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.272 -11.531 -15.198 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.183 -11.483 -13.825 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.908 -8.040 -16.210 1.00 0.00 H new ATOM 0 HE2 MET A 70 3.139 -8.898 -15.254 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.139 -9.791 -16.424 1.00 0.00 H new ATOM 1045 N LYS A 71 4.847 -13.518 -12.861 1.00 0.00 N ATOM 1046 CA LYS A 71 5.864 -14.000 -11.933 1.00 0.00 C ATOM 1047 C LYS A 71 7.202 -13.314 -12.188 1.00 0.00 C ATOM 1048 O LYS A 71 7.854 -12.839 -11.258 1.00 0.00 O ATOM 1049 CB LYS A 71 6.024 -15.517 -12.062 1.00 0.00 C ATOM 1050 CG LYS A 71 4.722 -16.282 -11.898 1.00 0.00 C ATOM 1051 CD LYS A 71 4.144 -16.107 -10.504 1.00 0.00 C ATOM 1052 CE LYS A 71 2.856 -15.298 -10.531 1.00 0.00 C ATOM 1053 NZ LYS A 71 3.090 -13.871 -10.174 1.00 0.00 N ATOM 0 H LYS A 71 4.335 -14.255 -13.346 1.00 0.00 H new ATOM 0 HA LYS A 71 5.539 -13.760 -10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.450 -15.747 -13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.736 -15.864 -11.313 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.000 -15.936 -12.638 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.894 -17.341 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.951 -17.085 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.874 -15.609 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.412 -15.356 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.139 -15.734 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.274 -13.508 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.947 -13.795 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.213 -13.312 -11.042 1.00 0.00 H new ATOM 1067 N ASP A 72 7.605 -13.264 -13.453 1.00 0.00 N ATOM 1068 CA ASP A 72 8.864 -12.633 -13.830 1.00 0.00 C ATOM 1069 C ASP A 72 8.688 -11.127 -14.000 1.00 0.00 C ATOM 1070 O ASP A 72 9.596 -10.348 -13.709 1.00 0.00 O ATOM 1071 CB ASP A 72 9.399 -13.246 -15.125 1.00 0.00 C ATOM 1072 CG ASP A 72 10.680 -12.584 -15.594 1.00 0.00 C ATOM 1073 OD1 ASP A 72 10.616 -11.418 -16.037 1.00 0.00 O ATOM 1074 OD2 ASP A 72 11.745 -13.231 -15.517 1.00 0.00 O ATOM 0 H ASP A 72 7.078 -13.653 -14.235 1.00 0.00 H new ATOM 0 HA ASP A 72 9.583 -12.808 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.578 -14.310 -14.973 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.642 -13.159 -15.904 1.00 0.00 H new ATOM 1079 N VAL A 73 7.514 -10.723 -14.475 1.00 0.00 N ATOM 1080 CA VAL A 73 7.218 -9.311 -14.684 1.00 0.00 C ATOM 1081 C VAL A 73 7.346 -8.524 -13.385 1.00 0.00 C ATOM 1082 O VAL A 73 8.075 -7.535 -13.315 1.00 0.00 O ATOM 1083 CB VAL A 73 5.801 -9.113 -15.255 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.537 -7.640 -15.527 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.616 -9.939 -16.518 1.00 0.00 C ATOM 0 H VAL A 73 6.752 -11.354 -14.722 1.00 0.00 H new ATOM 0 HA VAL A 73 7.947 -8.938 -15.404 1.00 0.00 H new ATOM 0 HB VAL A 73 5.078 -9.456 -14.515 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.531 -7.519 -15.930 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.626 -7.077 -14.598 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.264 -7.267 -16.248 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.610 -9.787 -16.908 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.346 -9.628 -17.266 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.760 -10.994 -16.287 1.00 0.00 H new ATOM 1095 N ALA A 74 6.633 -8.972 -12.356 1.00 0.00 N ATOM 1096 CA ALA A 74 6.668 -8.311 -11.058 1.00 0.00 C ATOM 1097 C ALA A 74 8.049 -8.427 -10.420 1.00 0.00 C ATOM 1098 O ALA A 74 8.376 -7.696 -9.485 1.00 0.00 O ATOM 1099 CB ALA A 74 5.609 -8.899 -10.137 1.00 0.00 C ATOM 0 H ALA A 74 6.025 -9.790 -12.397 1.00 0.00 H new ATOM 0 HA ALA A 74 6.454 -7.253 -11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.647 -8.396 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.623 -8.760 -10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.797 -9.964 -9.999 1.00 0.00 H new ATOM 1105 N LYS A 75 8.856 -9.350 -10.932 1.00 0.00 N ATOM 1106 CA LYS A 75 10.202 -9.562 -10.413 1.00 0.00 C ATOM 1107 C LYS A 75 11.118 -8.402 -10.788 1.00 0.00 C ATOM 1108 O LYS A 75 12.037 -8.058 -10.044 1.00 0.00 O ATOM 1109 CB LYS A 75 10.777 -10.874 -10.952 1.00 0.00 C ATOM 1110 CG LYS A 75 11.926 -10.680 -11.926 1.00 0.00 C ATOM 1111 CD LYS A 75 12.326 -11.990 -12.585 1.00 0.00 C ATOM 1112 CE LYS A 75 12.721 -13.035 -11.553 1.00 0.00 C ATOM 1113 NZ LYS A 75 13.986 -13.728 -11.922 1.00 0.00 N ATOM 0 H LYS A 75 8.601 -9.963 -11.706 1.00 0.00 H new ATOM 0 HA LYS A 75 10.141 -9.618 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.120 -11.482 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.983 -11.433 -11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.637 -9.960 -12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.783 -10.260 -11.400 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.497 -12.365 -13.185 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.159 -11.816 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.839 -12.558 -10.580 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.921 -13.768 -11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.221 -14.432 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.866 -14.204 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.756 -13.032 -11.992 1.00 0.00 H new ATOM 1127 N VAL A 76 10.862 -7.801 -11.945 1.00 0.00 N ATOM 1128 CA VAL A 76 11.662 -6.677 -12.417 1.00 0.00 C ATOM 1129 C VAL A 76 11.014 -5.348 -12.047 1.00 0.00 C ATOM 1130 O VAL A 76 11.390 -4.296 -12.566 1.00 0.00 O ATOM 1131 CB VAL A 76 11.861 -6.732 -13.943 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.740 -7.913 -14.326 1.00 0.00 C ATOM 1133 CG2 VAL A 76 10.518 -6.804 -14.653 1.00 0.00 C ATOM 0 H VAL A 76 10.106 -8.074 -12.573 1.00 0.00 H new ATOM 0 HA VAL A 76 12.634 -6.752 -11.929 1.00 0.00 H new ATOM 0 HB VAL A 76 12.365 -5.818 -14.259 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.869 -7.935 -15.408 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.714 -7.812 -13.847 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.268 -8.839 -13.998 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.678 -6.842 -15.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.985 -7.699 -14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.927 -5.922 -14.405 1.00 0.00 H new ATOM 1143 N PHE A 77 10.039 -5.401 -11.146 1.00 0.00 N ATOM 1144 CA PHE A 77 9.337 -4.201 -10.706 1.00 0.00 C ATOM 1145 C PHE A 77 9.322 -4.107 -9.184 1.00 0.00 C ATOM 1146 O PHE A 77 10.001 -3.266 -8.597 1.00 0.00 O ATOM 1147 CB PHE A 77 7.905 -4.196 -11.244 1.00 0.00 C ATOM 1148 CG PHE A 77 7.814 -3.867 -12.707 1.00 0.00 C ATOM 1149 CD1 PHE A 77 8.423 -2.730 -13.214 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.121 -4.695 -13.575 1.00 0.00 C ATOM 1151 CE1 PHE A 77 8.342 -2.425 -14.559 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.037 -4.395 -14.921 1.00 0.00 C ATOM 1153 CZ PHE A 77 7.647 -3.258 -15.414 1.00 0.00 C ATOM 0 H PHE A 77 9.717 -6.263 -10.706 1.00 0.00 H new ATOM 0 HA PHE A 77 9.868 -3.334 -11.100 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.457 -5.175 -11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.316 -3.473 -10.680 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.967 -2.075 -12.550 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.641 -5.585 -13.195 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.822 -1.536 -14.942 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.495 -5.049 -15.587 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.581 -3.021 -16.466 1.00 0.00 H new