USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot -87:sc= -4.58! USER MOD Single : A 1 ALA N :NH3+ 153:sc= 0.00108 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.03 (180deg=1.01) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 20 THR OG1 : rot -8:sc= 1.02 USER MOD Single : A 22 HIS : no HD1:sc= -8.93! C(o=-8.9!,f=-16!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -64:sc= 0.148 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 141:sc= -1.45! (180deg=-2.59!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 94:sc= 0.962 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.636 9.273 1.745 1.00 0.00 N ATOM 2 CA ALA A 1 -9.781 8.943 0.570 1.00 0.00 C ATOM 3 C ALA A 1 -8.484 8.290 1.050 1.00 0.00 C ATOM 4 O ALA A 1 -7.850 8.755 1.977 1.00 0.00 O ATOM 5 CB ALA A 1 -9.453 10.224 -0.200 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.252 10.078 1.511 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.221 8.449 1.991 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.032 9.523 2.554 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.314 8.253 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.828 9.982 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.377 10.689 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.920 10.915 0.453 1.00 0.00 H new ATOM 13 N ILE A 2 -8.083 7.215 0.428 1.00 0.00 N ATOM 14 CA ILE A 2 -6.827 6.534 0.850 1.00 0.00 C ATOM 15 C ILE A 2 -5.769 6.692 -0.243 1.00 0.00 C ATOM 16 O ILE A 2 -5.716 5.926 -1.185 1.00 0.00 O ATOM 17 CB ILE A 2 -7.105 5.047 1.079 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.309 4.892 2.011 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.880 4.391 1.718 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.084 5.717 3.280 1.00 0.00 C ATOM 0 H ILE A 2 -8.571 6.779 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.464 6.983 1.775 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.318 4.566 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.217 5.222 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.450 3.842 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.078 3.332 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.021 4.502 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.667 4.871 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.942 5.606 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.185 5.366 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.964 6.767 3.015 1.00 0.00 H new ATOM 32 N ASP A 3 -4.926 7.682 -0.126 1.00 0.00 N ATOM 33 CA ASP A 3 -3.872 7.888 -1.160 1.00 0.00 C ATOM 34 C ASP A 3 -2.886 6.718 -1.123 1.00 0.00 C ATOM 35 O ASP A 3 -2.356 6.374 -0.085 1.00 0.00 O ATOM 36 CB ASP A 3 -3.127 9.193 -0.875 1.00 0.00 C ATOM 37 CG ASP A 3 -1.873 9.266 -1.748 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.853 8.609 -2.776 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.956 9.979 -1.376 1.00 0.00 O ATOM 0 H ASP A 3 -4.922 8.356 0.640 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.335 7.942 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.775 10.046 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.853 9.245 0.179 1.00 0.00 H new ATOM 44 N ILE A 4 -2.636 6.106 -2.247 1.00 0.00 N ATOM 45 CA ILE A 4 -1.684 4.960 -2.276 1.00 0.00 C ATOM 46 C ILE A 4 -0.341 5.426 -2.842 1.00 0.00 C ATOM 47 O ILE A 4 -0.157 5.512 -4.040 1.00 0.00 O ATOM 48 CB ILE A 4 -2.251 3.848 -3.159 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.452 3.205 -2.461 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.176 2.786 -3.399 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.446 2.706 -3.511 1.00 0.00 C ATOM 0 H ILE A 4 -3.050 6.350 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.540 4.582 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.566 4.269 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.121 2.376 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.934 3.928 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.581 1.994 -4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.319 3.241 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.861 2.365 -2.444 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.301 2.248 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.786 3.545 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.960 1.969 -4.150 1.00 0.00 H new ATOM 63 N LYS A 5 0.600 5.728 -1.990 1.00 0.00 N ATOM 64 CA LYS A 5 1.930 6.188 -2.480 1.00 0.00 C ATOM 65 C LYS A 5 3.010 5.210 -2.016 1.00 0.00 C ATOM 66 O LYS A 5 2.920 4.627 -0.953 1.00 0.00 O ATOM 67 CB LYS A 5 2.227 7.581 -1.920 1.00 0.00 C ATOM 68 CG LYS A 5 2.790 8.469 -3.030 1.00 0.00 C ATOM 69 CD LYS A 5 3.171 9.832 -2.450 1.00 0.00 C ATOM 70 CE LYS A 5 2.376 10.930 -3.159 1.00 0.00 C ATOM 71 NZ LYS A 5 1.273 11.397 -2.270 1.00 0.00 N ATOM 0 H LYS A 5 0.505 5.676 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 5 1.921 6.230 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.317 8.022 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.941 7.510 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.663 7.997 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.051 8.593 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.966 9.854 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.240 10.005 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.032 11.763 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.967 10.551 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.785 12.200 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.597 10.621 -2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.667 11.695 -1.355 1.00 0.00 H new ATOM 85 N ALA A 6 4.034 5.024 -2.805 1.00 0.00 N ATOM 86 CA ALA A 6 5.120 4.084 -2.408 1.00 0.00 C ATOM 87 C ALA A 6 5.769 4.572 -1.109 1.00 0.00 C ATOM 88 O ALA A 6 5.691 5.739 -0.780 1.00 0.00 O ATOM 89 CB ALA A 6 6.174 4.025 -3.515 1.00 0.00 C ATOM 0 H ALA A 6 4.165 5.482 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 6 4.701 3.090 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.968 3.337 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.712 3.677 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.593 5.019 -3.671 1.00 0.00 H new ATOM 95 N PRO A 7 6.391 3.657 -0.410 1.00 0.00 N ATOM 96 CA PRO A 7 7.069 3.956 0.864 1.00 0.00 C ATOM 97 C PRO A 7 8.422 4.624 0.604 1.00 0.00 C ATOM 98 O PRO A 7 9.271 4.085 -0.077 1.00 0.00 O ATOM 99 CB PRO A 7 7.254 2.577 1.503 1.00 0.00 C ATOM 100 CG PRO A 7 7.199 1.549 0.346 1.00 0.00 C ATOM 101 CD PRO A 7 6.476 2.242 -0.824 1.00 0.00 C ATOM 0 HA PRO A 7 6.509 4.643 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.206 2.518 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.471 2.380 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.203 1.241 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.666 0.649 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.031 2.132 -1.756 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.487 1.815 -0.990 1.00 0.00 H new ATOM 109 N THR A 8 8.629 5.795 1.143 1.00 0.00 N ATOM 110 CA THR A 8 9.926 6.496 0.926 1.00 0.00 C ATOM 111 C THR A 8 11.077 5.501 1.091 1.00 0.00 C ATOM 112 O THR A 8 11.385 5.068 2.184 1.00 0.00 O ATOM 113 CB THR A 8 10.075 7.622 1.953 1.00 0.00 C ATOM 114 OG1 THR A 8 9.170 8.671 1.636 1.00 0.00 O ATOM 115 CG2 THR A 8 11.508 8.155 1.925 1.00 0.00 C ATOM 0 H THR A 8 7.956 6.296 1.724 1.00 0.00 H new ATOM 0 HA THR A 8 9.949 6.915 -0.080 1.00 0.00 H new ATOM 0 HB THR A 8 9.853 7.238 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.262 9.392 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.612 8.956 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.201 7.349 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.734 8.540 0.930 1.00 0.00 H new ATOM 123 N PHE A 9 11.714 5.133 0.013 1.00 0.00 N ATOM 124 CA PHE A 9 12.844 4.167 0.109 1.00 0.00 C ATOM 125 C PHE A 9 14.046 4.850 0.769 1.00 0.00 C ATOM 126 O PHE A 9 14.245 6.037 0.610 1.00 0.00 O ATOM 127 CB PHE A 9 13.233 3.695 -1.294 1.00 0.00 C ATOM 128 CG PHE A 9 11.986 3.342 -2.070 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.205 2.246 -1.680 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.610 4.110 -3.180 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.048 1.918 -2.400 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.453 3.782 -3.900 1.00 0.00 C ATOM 133 CZ PHE A 9 9.672 2.686 -3.509 1.00 0.00 C ATOM 0 H PHE A 9 11.501 5.460 -0.929 1.00 0.00 H new ATOM 0 HA PHE A 9 12.538 3.310 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.787 4.478 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 9 13.891 2.828 -1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.495 1.654 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.212 4.955 -3.481 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.446 1.073 -2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.163 4.374 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.780 2.434 -4.063 1.00 0.00 H new ATOM 143 N PRO A 10 14.812 4.073 1.491 1.00 0.00 N ATOM 144 CA PRO A 10 16.009 4.569 2.194 1.00 0.00 C ATOM 145 C PRO A 10 17.172 4.737 1.211 1.00 0.00 C ATOM 146 O PRO A 10 16.979 4.841 0.017 1.00 0.00 O ATOM 147 CB PRO A 10 16.309 3.465 3.212 1.00 0.00 C ATOM 148 CG PRO A 10 15.643 2.178 2.670 1.00 0.00 C ATOM 149 CD PRO A 10 14.556 2.629 1.675 1.00 0.00 C ATOM 0 HA PRO A 10 15.862 5.543 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.384 3.326 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.912 3.724 4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.377 1.540 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.207 1.596 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.630 2.088 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.556 2.449 2.069 1.00 0.00 H new ATOM 157 N GLU A 11 18.379 4.765 1.707 1.00 0.00 N ATOM 158 CA GLU A 11 19.552 4.927 0.803 1.00 0.00 C ATOM 159 C GLU A 11 19.827 3.606 0.083 1.00 0.00 C ATOM 160 O GLU A 11 19.925 3.556 -1.128 1.00 0.00 O ATOM 161 CB GLU A 11 20.780 5.325 1.625 1.00 0.00 C ATOM 162 CG GLU A 11 21.237 6.726 1.216 1.00 0.00 C ATOM 163 CD GLU A 11 22.300 6.619 0.123 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.376 6.122 0.417 1.00 0.00 O ATOM 165 OE2 GLU A 11 22.022 7.034 -0.990 1.00 0.00 O ATOM 0 H GLU A 11 18.603 4.683 2.699 1.00 0.00 H new ATOM 0 HA GLU A 11 19.339 5.704 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.541 5.305 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.585 4.608 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.387 7.306 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.641 7.255 2.080 1.00 0.00 H new ATOM 172 N SER A 12 19.955 2.534 0.818 1.00 0.00 N ATOM 173 CA SER A 12 20.225 1.216 0.180 1.00 0.00 C ATOM 174 C SER A 12 19.347 1.057 -1.062 1.00 0.00 C ATOM 175 O SER A 12 19.833 0.828 -2.152 1.00 0.00 O ATOM 176 CB SER A 12 19.911 0.097 1.173 1.00 0.00 C ATOM 177 OG SER A 12 20.692 -1.047 0.853 1.00 0.00 O ATOM 0 H SER A 12 19.884 2.516 1.835 1.00 0.00 H new ATOM 0 HA SER A 12 21.274 1.162 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.126 0.426 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.850 -0.151 1.136 1.00 0.00 H new ATOM 0 HG SER A 12 20.495 -1.766 1.489 1.00 0.00 H new ATOM 183 N ILE A 13 18.057 1.175 -0.908 1.00 0.00 N ATOM 184 CA ILE A 13 17.149 1.030 -2.080 1.00 0.00 C ATOM 185 C ILE A 13 16.939 2.397 -2.734 1.00 0.00 C ATOM 186 O ILE A 13 16.311 3.274 -2.174 1.00 0.00 O ATOM 187 CB ILE A 13 15.802 0.473 -1.617 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.029 -0.820 -0.831 1.00 0.00 C ATOM 189 CG2 ILE A 13 14.924 0.181 -2.835 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.650 -0.600 0.635 1.00 0.00 C ATOM 0 H ILE A 13 17.592 1.366 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 13 17.595 0.346 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 13 15.306 1.205 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.430 -1.626 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.073 -1.125 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.964 -0.216 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.762 1.101 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.419 -0.551 -3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.812 -1.521 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.268 0.193 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.600 -0.315 0.701 1.00 0.00 H new ATOM 202 N ALA A 14 17.459 2.587 -3.916 1.00 0.00 N ATOM 203 CA ALA A 14 17.289 3.897 -4.604 1.00 0.00 C ATOM 204 C ALA A 14 16.000 3.878 -5.427 1.00 0.00 C ATOM 205 O ALA A 14 15.745 4.762 -6.220 1.00 0.00 O ATOM 206 CB ALA A 14 18.481 4.147 -5.529 1.00 0.00 C ATOM 0 H ALA A 14 17.994 1.891 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 14 17.234 4.692 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.356 5.106 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.400 4.162 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.538 3.352 -6.272 1.00 0.00 H new ATOM 212 N ASP A 15 15.183 2.876 -5.245 1.00 0.00 N ATOM 213 CA ASP A 15 13.912 2.801 -6.019 1.00 0.00 C ATOM 214 C ASP A 15 13.310 1.401 -5.878 1.00 0.00 C ATOM 215 O ASP A 15 13.780 0.587 -5.108 1.00 0.00 O ATOM 216 CB ASP A 15 14.194 3.088 -7.495 1.00 0.00 C ATOM 217 CG ASP A 15 15.576 2.544 -7.866 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.988 1.569 -7.262 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.196 3.114 -8.749 1.00 0.00 O ATOM 0 H ASP A 15 15.341 2.107 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 15 13.209 3.540 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.430 2.625 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.151 4.161 -7.682 1.00 0.00 H new ATOM 224 N GLY A 16 12.273 1.115 -6.616 1.00 0.00 N ATOM 225 CA GLY A 16 11.642 -0.232 -6.524 1.00 0.00 C ATOM 226 C GLY A 16 10.934 -0.556 -7.841 1.00 0.00 C ATOM 227 O GLY A 16 11.115 0.117 -8.836 1.00 0.00 O ATOM 0 H GLY A 16 11.835 1.755 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.400 -0.986 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.929 -0.255 -5.700 1.00 0.00 H new ATOM 231 N THR A 17 10.128 -1.583 -7.855 1.00 0.00 N ATOM 232 CA THR A 17 9.409 -1.948 -9.108 1.00 0.00 C ATOM 233 C THR A 17 8.053 -2.562 -8.757 1.00 0.00 C ATOM 234 O THR A 17 7.954 -3.434 -7.917 1.00 0.00 O ATOM 235 CB THR A 17 10.240 -2.964 -9.895 1.00 0.00 C ATOM 236 OG1 THR A 17 11.507 -2.398 -10.205 1.00 0.00 O ATOM 237 CG2 THR A 17 9.512 -3.330 -11.189 1.00 0.00 C ATOM 0 H THR A 17 9.937 -2.184 -7.053 1.00 0.00 H new ATOM 0 HA THR A 17 9.258 -1.055 -9.714 1.00 0.00 H new ATOM 0 HB THR A 17 10.380 -3.863 -9.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.041 -3.048 -10.708 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.105 -4.054 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.541 -3.764 -10.950 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.370 -2.434 -11.793 1.00 0.00 H new ATOM 245 N VAL A 18 7.005 -2.113 -9.393 1.00 0.00 N ATOM 246 CA VAL A 18 5.657 -2.671 -9.095 1.00 0.00 C ATOM 247 C VAL A 18 5.701 -4.196 -9.208 1.00 0.00 C ATOM 248 O VAL A 18 6.618 -4.761 -9.769 1.00 0.00 O ATOM 249 CB VAL A 18 4.642 -2.115 -10.097 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.234 -2.559 -9.696 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.714 -0.587 -10.097 1.00 0.00 C ATOM 0 H VAL A 18 7.025 -1.384 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 18 5.362 -2.389 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 18 4.871 -2.491 -11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.511 -2.163 -10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.183 -3.648 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.004 -2.183 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.992 -0.189 -10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.484 -0.212 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.717 -0.270 -10.381 1.00 0.00 H new ATOM 261 N ALA A 19 4.716 -4.869 -8.677 1.00 0.00 N ATOM 262 CA ALA A 19 4.703 -6.357 -8.754 1.00 0.00 C ATOM 263 C ALA A 19 3.611 -6.807 -9.726 1.00 0.00 C ATOM 264 O ALA A 19 3.884 -7.194 -10.845 1.00 0.00 O ATOM 265 CB ALA A 19 4.422 -6.936 -7.366 1.00 0.00 C ATOM 0 H ALA A 19 3.920 -4.452 -8.194 1.00 0.00 H new ATOM 0 HA ALA A 19 5.671 -6.712 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.412 -8.025 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.200 -6.615 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.453 -6.582 -7.013 1.00 0.00 H new ATOM 271 N THR A 20 2.376 -6.762 -9.308 1.00 0.00 N ATOM 272 CA THR A 20 1.269 -7.189 -10.210 1.00 0.00 C ATOM 273 C THR A 20 -0.051 -6.596 -9.713 1.00 0.00 C ATOM 274 O THR A 20 -0.377 -6.672 -8.545 1.00 0.00 O ATOM 275 CB THR A 20 1.173 -8.717 -10.211 1.00 0.00 C ATOM 276 OG1 THR A 20 2.318 -9.260 -10.853 1.00 0.00 O ATOM 277 CG2 THR A 20 -0.088 -9.150 -10.959 1.00 0.00 C ATOM 0 H THR A 20 2.086 -6.448 -8.382 1.00 0.00 H new ATOM 0 HA THR A 20 1.468 -6.836 -11.222 1.00 0.00 H new ATOM 0 HB THR A 20 1.125 -9.080 -9.184 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.837 -8.537 -11.263 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.155 -10.238 -10.959 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.965 -8.732 -10.465 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.044 -8.789 -11.987 1.00 0.00 H new ATOM 285 N TRP A 21 -0.814 -6.006 -10.592 1.00 0.00 N ATOM 286 CA TRP A 21 -2.107 -5.409 -10.178 1.00 0.00 C ATOM 287 C TRP A 21 -3.216 -6.456 -10.297 1.00 0.00 C ATOM 288 O TRP A 21 -3.900 -6.537 -11.298 1.00 0.00 O ATOM 289 CB TRP A 21 -2.413 -4.230 -11.097 1.00 0.00 C ATOM 290 CG TRP A 21 -1.854 -2.976 -10.506 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.656 -2.431 -10.825 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.446 -2.100 -9.502 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.478 -1.279 -10.080 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.550 -1.036 -9.254 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.660 -2.126 -8.789 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.841 -0.033 -8.337 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.960 -1.114 -7.860 1.00 0.00 C ATOM 298 CH2 TRP A 21 -3.050 -0.069 -7.634 1.00 0.00 C ATOM 0 H TRP A 21 -0.593 -5.913 -11.583 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.049 -5.070 -9.144 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.982 -4.403 -12.083 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.490 -4.132 -11.233 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.045 -2.830 -11.543 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.348 -0.683 -10.137 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.364 -2.927 -8.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.138 0.769 -8.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.894 -1.141 -7.318 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.283 0.706 -6.919 1.00 0.00 H new ATOM 309 N HIS A 22 -3.395 -7.261 -9.285 1.00 0.00 N ATOM 310 CA HIS A 22 -4.463 -8.312 -9.344 1.00 0.00 C ATOM 311 C HIS A 22 -5.734 -7.711 -9.948 1.00 0.00 C ATOM 312 O HIS A 22 -6.239 -8.178 -10.950 1.00 0.00 O ATOM 313 CB HIS A 22 -4.781 -8.842 -7.938 1.00 0.00 C ATOM 314 CG HIS A 22 -3.541 -8.804 -7.097 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.127 -7.648 -6.460 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.585 -9.749 -6.819 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.968 -7.917 -5.847 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.590 -9.186 -6.029 1.00 0.00 N ATOM 0 H HIS A 22 -2.853 -7.240 -8.421 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.105 -9.136 -9.961 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.563 -8.238 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.160 -9.862 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.603 -10.773 -7.162 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.405 -7.195 -5.274 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.753 -9.642 -5.667 1.00 0.00 H new ATOM 326 N LYS A 23 -6.257 -6.678 -9.345 1.00 0.00 N ATOM 327 CA LYS A 23 -7.496 -6.049 -9.884 1.00 0.00 C ATOM 328 C LYS A 23 -7.132 -4.778 -10.655 1.00 0.00 C ATOM 329 O LYS A 23 -5.973 -4.461 -10.837 1.00 0.00 O ATOM 330 CB LYS A 23 -8.431 -5.693 -8.727 1.00 0.00 C ATOM 331 CG LYS A 23 -9.053 -6.972 -8.161 1.00 0.00 C ATOM 332 CD LYS A 23 -10.436 -6.656 -7.586 1.00 0.00 C ATOM 333 CE LYS A 23 -11.424 -7.745 -8.008 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.988 -7.413 -9.346 1.00 0.00 N ATOM 0 H LYS A 23 -5.880 -6.243 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.996 -6.749 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.879 -5.169 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.214 -5.017 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.137 -7.726 -8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.411 -7.389 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.385 -6.598 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.776 -5.684 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.922 -8.712 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.226 -7.828 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.660 -8.153 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.481 -6.498 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.218 -7.355 -10.043 1.00 0.00 H new ATOM 348 N LYS A 24 -8.115 -4.049 -11.110 1.00 0.00 N ATOM 349 CA LYS A 24 -7.827 -2.800 -11.868 1.00 0.00 C ATOM 350 C LYS A 24 -8.565 -1.627 -11.217 1.00 0.00 C ATOM 351 O LYS A 24 -9.423 -1.823 -10.380 1.00 0.00 O ATOM 352 CB LYS A 24 -8.302 -2.961 -13.314 1.00 0.00 C ATOM 353 CG LYS A 24 -7.090 -3.061 -14.242 1.00 0.00 C ATOM 354 CD LYS A 24 -7.367 -4.093 -15.337 1.00 0.00 C ATOM 355 CE LYS A 24 -7.829 -3.378 -16.608 1.00 0.00 C ATOM 356 NZ LYS A 24 -8.910 -4.171 -17.259 1.00 0.00 N ATOM 0 H LYS A 24 -9.104 -4.265 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.754 -2.606 -11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.920 -3.854 -13.408 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.923 -2.112 -13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.880 -2.089 -14.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.206 -3.348 -13.673 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.467 -4.673 -15.540 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.131 -4.796 -15.004 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.192 -2.379 -16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.991 -3.254 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.224 -3.685 -18.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.549 -5.115 -17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.712 -4.267 -16.604 1.00 0.00 H new ATOM 370 N PRO A 25 -8.206 -0.437 -11.628 1.00 0.00 N ATOM 371 CA PRO A 25 -8.816 0.800 -11.108 1.00 0.00 C ATOM 372 C PRO A 25 -10.198 1.017 -11.731 1.00 0.00 C ATOM 373 O PRO A 25 -10.333 1.170 -12.929 1.00 0.00 O ATOM 374 CB PRO A 25 -7.838 1.894 -11.548 1.00 0.00 C ATOM 375 CG PRO A 25 -7.051 1.317 -12.748 1.00 0.00 C ATOM 376 CD PRO A 25 -7.161 -0.216 -12.649 1.00 0.00 C ATOM 0 HA PRO A 25 -8.970 0.783 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.372 2.801 -11.833 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.164 2.163 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.464 1.675 -13.691 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.009 1.634 -12.716 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.439 -0.658 -13.606 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.213 -0.665 -12.353 1.00 0.00 H new ATOM 384 N GLY A 26 -11.225 1.030 -10.926 1.00 0.00 N ATOM 385 CA GLY A 26 -12.596 1.236 -11.471 1.00 0.00 C ATOM 386 C GLY A 26 -13.499 0.078 -11.040 1.00 0.00 C ATOM 387 O GLY A 26 -14.626 -0.039 -11.478 1.00 0.00 O ATOM 0 H GLY A 26 -11.174 0.907 -9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.003 2.181 -11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.560 1.297 -12.559 1.00 0.00 H new ATOM 391 N GLU A 27 -13.013 -0.780 -10.184 1.00 0.00 N ATOM 392 CA GLU A 27 -13.844 -1.928 -9.727 1.00 0.00 C ATOM 393 C GLU A 27 -14.166 -1.767 -8.241 1.00 0.00 C ATOM 394 O GLU A 27 -13.881 -0.749 -7.641 1.00 0.00 O ATOM 395 CB GLU A 27 -13.075 -3.234 -9.943 1.00 0.00 C ATOM 396 CG GLU A 27 -12.528 -3.274 -11.372 1.00 0.00 C ATOM 397 CD GLU A 27 -13.453 -4.118 -12.250 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.098 -5.004 -11.715 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.501 -3.864 -13.442 1.00 0.00 O ATOM 0 H GLU A 27 -12.077 -0.735 -9.782 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.772 -1.953 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.257 -3.309 -9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.730 -4.087 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.452 -2.263 -11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.522 -3.694 -11.376 1.00 0.00 H new ATOM 406 N ALA A 28 -14.757 -2.763 -7.639 1.00 0.00 N ATOM 407 CA ALA A 28 -15.096 -2.664 -6.192 1.00 0.00 C ATOM 408 C ALA A 28 -14.116 -3.513 -5.380 1.00 0.00 C ATOM 409 O ALA A 28 -13.499 -4.427 -5.892 1.00 0.00 O ATOM 410 CB ALA A 28 -16.520 -3.174 -5.967 1.00 0.00 C ATOM 0 H ALA A 28 -15.020 -3.641 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.027 -1.624 -5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.769 -3.102 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.219 -2.570 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.589 -4.214 -6.286 1.00 0.00 H new ATOM 416 N VAL A 29 -13.968 -3.220 -4.117 1.00 0.00 N ATOM 417 CA VAL A 29 -13.027 -4.010 -3.273 1.00 0.00 C ATOM 418 C VAL A 29 -13.623 -4.187 -1.875 1.00 0.00 C ATOM 419 O VAL A 29 -14.748 -3.808 -1.616 1.00 0.00 O ATOM 420 CB VAL A 29 -11.692 -3.271 -3.169 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.816 -3.626 -4.371 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.946 -1.762 -3.152 1.00 0.00 C ATOM 0 H VAL A 29 -14.458 -2.468 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.866 -4.988 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.184 -3.566 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.865 -3.099 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.635 -4.701 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.323 -3.332 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.995 -1.234 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.454 -1.468 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.570 -1.508 -2.295 1.00 0.00 H new ATOM 432 N LYS A 30 -12.877 -4.761 -0.970 1.00 0.00 N ATOM 433 CA LYS A 30 -13.402 -4.962 0.410 1.00 0.00 C ATOM 434 C LYS A 30 -12.251 -4.866 1.413 1.00 0.00 C ATOM 435 O LYS A 30 -11.177 -5.387 1.189 1.00 0.00 O ATOM 436 CB LYS A 30 -14.055 -6.342 0.512 1.00 0.00 C ATOM 437 CG LYS A 30 -15.497 -6.264 0.010 1.00 0.00 C ATOM 438 CD LYS A 30 -16.417 -7.015 0.976 1.00 0.00 C ATOM 439 CE LYS A 30 -17.873 -6.642 0.689 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.547 -7.775 -0.006 1.00 0.00 N ATOM 0 H LYS A 30 -11.928 -5.099 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.142 -4.193 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.493 -7.066 -0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.037 -6.689 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.809 -5.223 -0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.569 -6.696 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.278 -8.090 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.163 -6.765 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.391 -6.412 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.915 -5.745 0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.537 -7.523 -0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.057 -7.974 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.518 -8.620 0.599 1.00 0.00 H new ATOM 454 N ARG A 31 -12.466 -4.200 2.515 1.00 0.00 N ATOM 455 CA ARG A 31 -11.387 -4.067 3.532 1.00 0.00 C ATOM 456 C ARG A 31 -10.676 -5.411 3.706 1.00 0.00 C ATOM 457 O ARG A 31 -11.300 -6.452 3.766 1.00 0.00 O ATOM 458 CB ARG A 31 -11.997 -3.637 4.869 1.00 0.00 C ATOM 459 CG ARG A 31 -10.905 -3.044 5.761 1.00 0.00 C ATOM 460 CD ARG A 31 -10.886 -3.780 7.102 1.00 0.00 C ATOM 461 NE ARG A 31 -11.386 -2.874 8.173 1.00 0.00 N ATOM 462 CZ ARG A 31 -10.587 -1.989 8.706 1.00 0.00 C ATOM 463 NH1 ARG A 31 -9.682 -2.364 9.568 1.00 0.00 N ATOM 464 NH2 ARG A 31 -10.696 -0.731 8.378 1.00 0.00 N ATOM 0 H ARG A 31 -13.345 -3.742 2.754 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.668 -3.318 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.784 -2.902 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.459 -4.492 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.934 -3.131 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.088 -1.981 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.508 -4.674 7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.873 -4.110 7.334 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.353 -2.945 8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.599 -3.348 9.825 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.058 -1.674 9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.405 -0.439 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.072 -0.040 8.794 1.00 0.00 H new ATOM 478 N ASP A 32 -9.373 -5.395 3.790 1.00 0.00 N ATOM 479 CA ASP A 32 -8.623 -6.671 3.961 1.00 0.00 C ATOM 480 C ASP A 32 -8.701 -7.487 2.669 1.00 0.00 C ATOM 481 O ASP A 32 -9.048 -8.651 2.678 1.00 0.00 O ATOM 482 CB ASP A 32 -9.238 -7.475 5.109 1.00 0.00 C ATOM 483 CG ASP A 32 -8.237 -8.527 5.590 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.783 -9.305 4.766 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.941 -8.538 6.773 1.00 0.00 O ATOM 0 H ASP A 32 -8.797 -4.554 3.748 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.580 -6.450 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.505 -6.810 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.157 -7.958 4.777 1.00 0.00 H new ATOM 490 N GLU A 33 -8.381 -6.886 1.556 1.00 0.00 N ATOM 491 CA GLU A 33 -8.437 -7.627 0.265 1.00 0.00 C ATOM 492 C GLU A 33 -7.248 -7.222 -0.608 1.00 0.00 C ATOM 493 O GLU A 33 -7.078 -6.067 -0.945 1.00 0.00 O ATOM 494 CB GLU A 33 -9.741 -7.289 -0.460 1.00 0.00 C ATOM 495 CG GLU A 33 -9.907 -8.212 -1.670 1.00 0.00 C ATOM 496 CD GLU A 33 -9.958 -7.374 -2.948 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.648 -6.368 -2.947 1.00 0.00 O ATOM 498 OE2 GLU A 33 -9.304 -7.752 -3.907 1.00 0.00 O ATOM 0 H GLU A 33 -8.083 -5.913 1.485 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.396 -8.699 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.587 -7.405 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.731 -6.248 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.078 -8.918 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.820 -8.799 -1.571 1.00 0.00 H new ATOM 505 N LEU A 34 -6.423 -8.165 -0.977 1.00 0.00 N ATOM 506 CA LEU A 34 -5.245 -7.839 -1.826 1.00 0.00 C ATOM 507 C LEU A 34 -5.663 -6.865 -2.931 1.00 0.00 C ATOM 508 O LEU A 34 -6.747 -6.954 -3.472 1.00 0.00 O ATOM 509 CB LEU A 34 -4.702 -9.123 -2.456 1.00 0.00 C ATOM 510 CG LEU A 34 -3.446 -8.802 -3.269 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.437 -8.070 -2.382 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.824 -10.104 -3.779 1.00 0.00 C ATOM 0 H LEU A 34 -6.516 -9.149 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.471 -7.378 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.469 -9.851 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.459 -9.573 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.713 -8.169 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.542 -7.841 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.879 -7.143 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.170 -8.703 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.929 -9.877 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.557 -10.736 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.542 -10.627 -4.410 1.00 0.00 H new ATOM 524 N ILE A 35 -4.812 -5.936 -3.270 1.00 0.00 N ATOM 525 CA ILE A 35 -5.163 -4.959 -4.337 1.00 0.00 C ATOM 526 C ILE A 35 -3.978 -4.793 -5.291 1.00 0.00 C ATOM 527 O ILE A 35 -4.138 -4.755 -6.495 1.00 0.00 O ATOM 528 CB ILE A 35 -5.498 -3.607 -3.703 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.837 -3.710 -2.967 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.599 -2.540 -4.793 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.296 -2.313 -2.544 1.00 0.00 C ATOM 0 H ILE A 35 -3.889 -5.812 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.027 -5.326 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.713 -3.332 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.585 -4.170 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.734 -4.351 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.838 -1.578 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.648 -2.467 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.384 -2.813 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.249 -2.386 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.551 -1.870 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.415 -1.686 -3.428 1.00 0.00 H new ATOM 543 N VAL A 36 -2.788 -4.695 -4.763 1.00 0.00 N ATOM 544 CA VAL A 36 -1.596 -4.532 -5.641 1.00 0.00 C ATOM 545 C VAL A 36 -0.340 -4.966 -4.883 1.00 0.00 C ATOM 546 O VAL A 36 -0.206 -4.733 -3.698 1.00 0.00 O ATOM 547 CB VAL A 36 -1.461 -3.064 -6.051 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.215 -2.206 -4.809 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.284 -2.911 -7.016 1.00 0.00 C ATOM 0 H VAL A 36 -2.591 -4.721 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.715 -5.149 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.379 -2.739 -6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.119 -1.161 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.053 -2.314 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.298 -2.531 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.187 -1.866 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.633 -3.237 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.458 -3.521 -7.902 1.00 0.00 H new ATOM 559 N ASP A 37 0.583 -5.596 -5.557 1.00 0.00 N ATOM 560 CA ASP A 37 1.829 -6.045 -4.875 1.00 0.00 C ATOM 561 C ASP A 37 2.988 -5.131 -5.280 1.00 0.00 C ATOM 562 O ASP A 37 2.993 -4.556 -6.350 1.00 0.00 O ATOM 563 CB ASP A 37 2.146 -7.483 -5.287 1.00 0.00 C ATOM 564 CG ASP A 37 1.355 -8.452 -4.407 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.851 -8.017 -3.385 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.265 -9.614 -4.771 1.00 0.00 O ATOM 0 H ASP A 37 0.528 -5.819 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 37 1.689 -5.999 -3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.891 -7.637 -6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.214 -7.674 -5.187 1.00 0.00 H new ATOM 571 N ILE A 38 3.971 -4.992 -4.433 1.00 0.00 N ATOM 572 CA ILE A 38 5.127 -4.116 -4.770 1.00 0.00 C ATOM 573 C ILE A 38 6.431 -4.886 -4.558 1.00 0.00 C ATOM 574 O ILE A 38 6.498 -5.804 -3.765 1.00 0.00 O ATOM 575 CB ILE A 38 5.111 -2.881 -3.868 1.00 0.00 C ATOM 576 CG1 ILE A 38 3.688 -2.321 -3.797 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.047 -1.815 -4.443 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.686 -1.033 -2.972 1.00 0.00 C ATOM 0 H ILE A 38 4.023 -5.448 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 38 5.055 -3.806 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 38 5.446 -3.158 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.314 -2.123 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.019 -3.055 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.035 -0.935 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.061 -2.212 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.712 -1.538 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.673 -0.635 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.043 -1.246 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.341 -0.299 -3.441 1.00 0.00 H new ATOM 590 N GLU A 39 7.470 -4.519 -5.258 1.00 0.00 N ATOM 591 CA GLU A 39 8.768 -5.231 -5.094 1.00 0.00 C ATOM 592 C GLU A 39 9.847 -4.232 -4.670 1.00 0.00 C ATOM 593 O GLU A 39 9.786 -3.062 -4.995 1.00 0.00 O ATOM 594 CB GLU A 39 9.167 -5.876 -6.423 1.00 0.00 C ATOM 595 CG GLU A 39 9.893 -7.196 -6.152 1.00 0.00 C ATOM 596 CD GLU A 39 9.886 -8.052 -7.420 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.094 -7.765 -8.301 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.675 -8.980 -7.487 1.00 0.00 O ATOM 0 H GLU A 39 7.475 -3.757 -5.936 1.00 0.00 H new ATOM 0 HA GLU A 39 8.665 -6.003 -4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.282 -6.054 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.813 -5.203 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.918 -7.001 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.406 -7.731 -5.337 1.00 0.00 H new ATOM 605 N THR A 40 10.833 -4.682 -3.944 1.00 0.00 N ATOM 606 CA THR A 40 11.913 -3.758 -3.499 1.00 0.00 C ATOM 607 C THR A 40 13.276 -4.409 -3.746 1.00 0.00 C ATOM 608 O THR A 40 13.381 -5.411 -4.424 1.00 0.00 O ATOM 609 CB THR A 40 11.751 -3.464 -2.005 1.00 0.00 C ATOM 610 OG1 THR A 40 11.624 -4.689 -1.296 1.00 0.00 O ATOM 611 CG2 THR A 40 10.503 -2.611 -1.783 1.00 0.00 C ATOM 0 H THR A 40 10.937 -5.650 -3.640 1.00 0.00 H new ATOM 0 HA THR A 40 11.848 -2.827 -4.061 1.00 0.00 H new ATOM 0 HB THR A 40 12.625 -2.923 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.807 -5.149 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.389 -2.403 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.602 -1.672 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.626 -3.149 -2.143 1.00 0.00 H new ATOM 619 N ASP A 41 14.321 -3.842 -3.205 1.00 0.00 N ATOM 620 CA ASP A 41 15.676 -4.424 -3.408 1.00 0.00 C ATOM 621 C ASP A 41 15.609 -5.947 -3.270 1.00 0.00 C ATOM 622 O ASP A 41 15.764 -6.675 -4.229 1.00 0.00 O ATOM 623 CB ASP A 41 16.636 -3.859 -2.360 1.00 0.00 C ATOM 624 CG ASP A 41 18.069 -4.265 -2.707 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.595 -3.741 -3.675 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.617 -5.094 -1.998 1.00 0.00 O ATOM 0 H ASP A 41 14.293 -3.000 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 41 16.033 -4.167 -4.405 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.553 -2.773 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.371 -4.232 -1.371 1.00 0.00 H new ATOM 631 N LYS A 42 15.376 -6.434 -2.081 1.00 0.00 N ATOM 632 CA LYS A 42 15.299 -7.908 -1.883 1.00 0.00 C ATOM 633 C LYS A 42 14.114 -8.238 -0.973 1.00 0.00 C ATOM 634 O LYS A 42 14.110 -9.238 -0.283 1.00 0.00 O ATOM 635 CB LYS A 42 16.594 -8.404 -1.235 1.00 0.00 C ATOM 636 CG LYS A 42 17.727 -8.366 -2.262 1.00 0.00 C ATOM 637 CD LYS A 42 18.635 -9.581 -2.066 1.00 0.00 C ATOM 638 CE LYS A 42 20.029 -9.114 -1.639 1.00 0.00 C ATOM 639 NZ LYS A 42 20.507 -9.951 -0.504 1.00 0.00 N ATOM 0 H LYS A 42 15.236 -5.875 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 42 15.165 -8.398 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.846 -7.780 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.461 -9.420 -0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.317 -8.365 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.302 -7.447 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.215 -10.244 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.699 -10.153 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.722 -9.189 -2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.998 -8.065 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.454 -9.634 -0.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.850 -9.858 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.551 -10.947 -0.801 1.00 0.00 H new ATOM 653 N VAL A 43 13.109 -7.407 -0.966 1.00 0.00 N ATOM 654 CA VAL A 43 11.926 -7.674 -0.102 1.00 0.00 C ATOM 655 C VAL A 43 10.644 -7.410 -0.895 1.00 0.00 C ATOM 656 O VAL A 43 10.660 -6.749 -1.914 1.00 0.00 O ATOM 657 CB VAL A 43 11.969 -6.754 1.119 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.194 -7.396 2.271 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.423 -6.538 1.543 1.00 0.00 C ATOM 0 H VAL A 43 13.056 -6.554 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 43 11.942 -8.714 0.225 1.00 0.00 H new ATOM 0 HB VAL A 43 11.516 -5.795 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.225 -6.740 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.158 -7.551 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.646 -8.355 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.455 -5.882 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.875 -7.497 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.977 -6.080 0.723 1.00 0.00 H new ATOM 669 N VAL A 44 9.535 -7.922 -0.435 1.00 0.00 N ATOM 670 CA VAL A 44 8.255 -7.699 -1.164 1.00 0.00 C ATOM 671 C VAL A 44 7.244 -7.032 -0.228 1.00 0.00 C ATOM 672 O VAL A 44 7.136 -7.377 0.932 1.00 0.00 O ATOM 673 CB VAL A 44 7.699 -9.042 -1.640 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.423 -9.939 -0.433 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.397 -8.810 -2.409 1.00 0.00 C ATOM 0 H VAL A 44 9.460 -8.484 0.413 1.00 0.00 H new ATOM 0 HA VAL A 44 8.435 -7.054 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 44 8.427 -9.525 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.027 -10.896 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.350 -10.105 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.695 -9.457 0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.000 -9.766 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.670 -8.326 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.592 -8.172 -3.271 1.00 0.00 H new ATOM 685 N MET A 45 6.502 -6.079 -0.723 1.00 0.00 N ATOM 686 CA MET A 45 5.499 -5.392 0.139 1.00 0.00 C ATOM 687 C MET A 45 4.129 -5.432 -0.542 1.00 0.00 C ATOM 688 O MET A 45 3.856 -4.675 -1.452 1.00 0.00 O ATOM 689 CB MET A 45 5.922 -3.937 0.351 1.00 0.00 C ATOM 690 CG MET A 45 7.025 -3.875 1.408 1.00 0.00 C ATOM 691 SD MET A 45 8.603 -3.485 0.611 1.00 0.00 S ATOM 692 CE MET A 45 8.316 -1.712 0.395 1.00 0.00 C ATOM 0 H MET A 45 6.547 -5.747 -1.686 1.00 0.00 H new ATOM 0 HA MET A 45 5.440 -5.897 1.103 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.278 -3.510 -0.587 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.066 -3.341 0.668 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.786 -3.118 2.155 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.096 -4.828 1.932 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.240 -1.168 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.988 -1.518 -0.626 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.547 -1.380 1.093 1.00 0.00 H new ATOM 702 N GLU A 46 3.266 -6.310 -0.109 1.00 0.00 N ATOM 703 CA GLU A 46 1.916 -6.397 -0.732 1.00 0.00 C ATOM 704 C GLU A 46 1.068 -5.205 -0.281 1.00 0.00 C ATOM 705 O GLU A 46 1.387 -4.531 0.678 1.00 0.00 O ATOM 706 CB GLU A 46 1.237 -7.698 -0.299 1.00 0.00 C ATOM 707 CG GLU A 46 2.023 -8.891 -0.846 1.00 0.00 C ATOM 708 CD GLU A 46 1.927 -10.060 0.135 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.842 -10.293 0.643 1.00 0.00 O ATOM 710 OE2 GLU A 46 2.938 -10.703 0.362 1.00 0.00 O ATOM 0 H GLU A 46 3.438 -6.970 0.649 1.00 0.00 H new ATOM 0 HA GLU A 46 2.015 -6.383 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.187 -7.750 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.211 -7.725 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.628 -9.185 -1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.066 -8.614 -0.997 1.00 0.00 H new ATOM 717 N VAL A 47 -0.011 -4.941 -0.966 1.00 0.00 N ATOM 718 CA VAL A 47 -0.878 -3.794 -0.577 1.00 0.00 C ATOM 719 C VAL A 47 -2.335 -4.257 -0.509 1.00 0.00 C ATOM 720 O VAL A 47 -2.965 -4.505 -1.517 1.00 0.00 O ATOM 721 CB VAL A 47 -0.746 -2.680 -1.616 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.758 -1.574 -1.311 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.670 -2.101 -1.565 1.00 0.00 C ATOM 0 H VAL A 47 -0.329 -5.470 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.569 -3.419 0.399 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.939 -3.086 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.664 -0.780 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.767 -1.985 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.565 -1.168 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.765 -1.307 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.862 -1.696 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.393 -2.888 -1.782 1.00 0.00 H new ATOM 733 N LEU A 48 -2.875 -4.375 0.673 1.00 0.00 N ATOM 734 CA LEU A 48 -4.291 -4.821 0.805 1.00 0.00 C ATOM 735 C LEU A 48 -5.211 -3.600 0.835 1.00 0.00 C ATOM 736 O LEU A 48 -4.761 -2.475 0.934 1.00 0.00 O ATOM 737 CB LEU A 48 -4.456 -5.616 2.102 1.00 0.00 C ATOM 738 CG LEU A 48 -4.815 -7.066 1.771 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.670 -7.710 0.988 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.043 -7.842 3.070 1.00 0.00 C ATOM 0 H LEU A 48 -2.397 -4.182 1.553 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.553 -5.452 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.533 -5.582 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.236 -5.169 2.718 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.723 -7.087 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.926 -8.743 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.505 -7.157 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.761 -7.690 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.299 -8.875 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.134 -7.820 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.859 -7.384 3.629 1.00 0.00 H new ATOM 752 N ALA A 49 -6.495 -3.810 0.750 1.00 0.00 N ATOM 753 CA ALA A 49 -7.442 -2.661 0.773 1.00 0.00 C ATOM 754 C ALA A 49 -7.497 -2.074 2.185 1.00 0.00 C ATOM 755 O ALA A 49 -7.766 -2.768 3.146 1.00 0.00 O ATOM 756 CB ALA A 49 -8.837 -3.140 0.366 1.00 0.00 C ATOM 0 H ALA A 49 -6.930 -4.729 0.666 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.102 -1.897 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.530 -2.299 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.799 -3.559 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.177 -3.904 1.064 1.00 0.00 H new ATOM 762 N GLU A 50 -7.242 -0.801 2.319 1.00 0.00 N ATOM 763 CA GLU A 50 -7.279 -0.172 3.670 1.00 0.00 C ATOM 764 C GLU A 50 -8.724 0.178 4.031 1.00 0.00 C ATOM 765 O GLU A 50 -8.986 0.810 5.036 1.00 0.00 O ATOM 766 CB GLU A 50 -6.432 1.103 3.660 1.00 0.00 C ATOM 767 CG GLU A 50 -5.340 0.999 4.727 1.00 0.00 C ATOM 768 CD GLU A 50 -5.506 2.132 5.740 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.636 2.514 5.993 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.499 2.599 6.247 1.00 0.00 O ATOM 0 H GLU A 50 -7.010 -0.170 1.552 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.880 -0.869 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.983 1.246 2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.061 1.972 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.400 0.035 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.356 1.054 4.262 1.00 0.00 H new ATOM 777 N ALA A 51 -9.665 -0.229 3.223 1.00 0.00 N ATOM 778 CA ALA A 51 -11.090 0.082 3.524 1.00 0.00 C ATOM 779 C ALA A 51 -11.937 -0.137 2.269 1.00 0.00 C ATOM 780 O ALA A 51 -11.522 0.165 1.168 1.00 0.00 O ATOM 781 CB ALA A 51 -11.212 1.540 3.972 1.00 0.00 C ATOM 0 H ALA A 51 -9.508 -0.763 2.368 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.443 -0.574 4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.255 1.767 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.610 1.697 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.858 2.196 3.177 1.00 0.00 H new ATOM 787 N ASP A 52 -13.121 -0.663 2.425 1.00 0.00 N ATOM 788 CA ASP A 52 -13.992 -0.901 1.240 1.00 0.00 C ATOM 789 C ASP A 52 -14.043 0.367 0.386 1.00 0.00 C ATOM 790 O ASP A 52 -13.571 1.416 0.777 1.00 0.00 O ATOM 791 CB ASP A 52 -15.402 -1.295 1.720 1.00 0.00 C ATOM 792 CG ASP A 52 -16.475 -0.842 0.722 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.766 -1.600 -0.189 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.984 0.255 0.888 1.00 0.00 O ATOM 0 H ASP A 52 -13.522 -0.938 3.321 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.589 -1.712 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.456 -2.376 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.596 -0.847 2.694 1.00 0.00 H new ATOM 799 N GLY A 53 -14.615 0.271 -0.780 1.00 0.00 N ATOM 800 CA GLY A 53 -14.704 1.463 -1.671 1.00 0.00 C ATOM 801 C GLY A 53 -14.340 1.060 -3.102 1.00 0.00 C ATOM 802 O GLY A 53 -14.459 -0.088 -3.482 1.00 0.00 O ATOM 0 H GLY A 53 -15.026 -0.583 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.712 1.876 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.030 2.244 -1.319 1.00 0.00 H new ATOM 806 N VAL A 54 -13.898 1.995 -3.897 1.00 0.00 N ATOM 807 CA VAL A 54 -13.526 1.663 -5.302 1.00 0.00 C ATOM 808 C VAL A 54 -12.240 2.401 -5.677 1.00 0.00 C ATOM 809 O VAL A 54 -12.149 3.607 -5.566 1.00 0.00 O ATOM 810 CB VAL A 54 -14.654 2.092 -6.242 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.167 2.024 -7.690 1.00 0.00 C ATOM 812 CG2 VAL A 54 -15.850 1.154 -6.064 1.00 0.00 C ATOM 0 H VAL A 54 -13.778 2.974 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.367 0.588 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.953 3.113 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.971 2.330 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.314 2.691 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.868 1.003 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.654 1.459 -6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.550 0.133 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.199 1.201 -5.032 1.00 0.00 H new ATOM 822 N ILE A 55 -11.244 1.685 -6.122 1.00 0.00 N ATOM 823 CA ILE A 55 -9.963 2.347 -6.504 1.00 0.00 C ATOM 824 C ILE A 55 -10.261 3.574 -7.367 1.00 0.00 C ATOM 825 O ILE A 55 -11.386 3.808 -7.764 1.00 0.00 O ATOM 826 CB ILE A 55 -9.096 1.365 -7.296 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.181 -0.029 -6.667 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.642 1.841 -7.276 1.00 0.00 C ATOM 829 CD1 ILE A 55 -9.047 0.080 -5.146 1.00 0.00 C ATOM 0 H ILE A 55 -11.261 0.672 -6.238 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.432 2.656 -5.604 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.455 1.319 -8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.131 -0.497 -6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.392 -0.667 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.023 1.143 -7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.577 2.831 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.289 1.889 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.108 -0.914 -4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.086 0.530 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.851 0.702 -4.754 1.00 0.00 H new ATOM 841 N ALA A 56 -9.262 4.360 -7.661 1.00 0.00 N ATOM 842 CA ALA A 56 -9.489 5.571 -8.499 1.00 0.00 C ATOM 843 C ALA A 56 -8.824 5.379 -9.864 1.00 0.00 C ATOM 844 O ALA A 56 -9.481 5.319 -10.883 1.00 0.00 O ATOM 845 CB ALA A 56 -8.883 6.793 -7.804 1.00 0.00 C ATOM 0 H ALA A 56 -8.299 4.216 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.560 5.723 -8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.049 7.679 -8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.356 6.930 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.812 6.641 -7.668 1.00 0.00 H new ATOM 851 N GLU A 57 -7.522 5.285 -9.891 1.00 0.00 N ATOM 852 CA GLU A 57 -6.817 5.097 -11.190 1.00 0.00 C ATOM 853 C GLU A 57 -5.344 4.776 -10.929 1.00 0.00 C ATOM 854 O GLU A 57 -4.715 5.360 -10.068 1.00 0.00 O ATOM 855 CB GLU A 57 -6.921 6.380 -12.017 1.00 0.00 C ATOM 856 CG GLU A 57 -7.174 6.024 -13.484 1.00 0.00 C ATOM 857 CD GLU A 57 -6.250 6.853 -14.377 1.00 0.00 C ATOM 858 OE1 GLU A 57 -6.090 8.030 -14.101 1.00 0.00 O ATOM 859 OE2 GLU A 57 -5.718 6.297 -15.324 1.00 0.00 O ATOM 0 H GLU A 57 -6.917 5.330 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.277 4.274 -11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.730 7.004 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.002 6.959 -11.926 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.997 4.961 -13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.215 6.217 -13.742 1.00 0.00 H new ATOM 866 N ILE A 58 -4.788 3.854 -11.665 1.00 0.00 N ATOM 867 CA ILE A 58 -3.356 3.497 -11.459 1.00 0.00 C ATOM 868 C ILE A 58 -2.503 4.164 -12.540 1.00 0.00 C ATOM 869 O ILE A 58 -2.778 4.052 -13.718 1.00 0.00 O ATOM 870 CB ILE A 58 -3.191 1.979 -11.544 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.199 1.305 -10.609 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.771 1.594 -11.124 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.142 1.970 -9.233 1.00 0.00 C ATOM 0 H ILE A 58 -5.264 3.332 -12.401 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.034 3.843 -10.477 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.367 1.651 -12.569 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.204 1.385 -11.022 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.975 0.242 -10.521 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.654 0.512 -11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.052 2.074 -11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.593 1.921 -10.099 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.859 1.490 -8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.138 1.867 -8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.387 3.028 -9.330 1.00 0.00 H new ATOM 885 N VAL A 59 -1.470 4.858 -12.149 1.00 0.00 N ATOM 886 CA VAL A 59 -0.600 5.531 -13.155 1.00 0.00 C ATOM 887 C VAL A 59 0.630 4.663 -13.428 1.00 0.00 C ATOM 888 O VAL A 59 1.171 4.663 -14.517 1.00 0.00 O ATOM 889 CB VAL A 59 -0.155 6.891 -12.616 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.421 7.730 -13.757 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.359 7.616 -12.008 1.00 0.00 C ATOM 0 H VAL A 59 -1.191 4.988 -11.177 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.158 5.672 -14.081 1.00 0.00 H new ATOM 0 HB VAL A 59 0.608 6.746 -11.851 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.738 8.699 -13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.278 7.214 -14.191 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.341 7.875 -14.522 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.043 8.586 -11.623 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.122 7.760 -12.773 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.770 7.019 -11.194 1.00 0.00 H new ATOM 901 N LYS A 60 1.075 3.924 -12.450 1.00 0.00 N ATOM 902 CA LYS A 60 2.270 3.057 -12.655 1.00 0.00 C ATOM 903 C LYS A 60 1.820 1.671 -13.122 1.00 0.00 C ATOM 904 O LYS A 60 1.123 0.966 -12.420 1.00 0.00 O ATOM 905 CB LYS A 60 3.039 2.928 -11.338 1.00 0.00 C ATOM 906 CG LYS A 60 4.419 3.571 -11.487 1.00 0.00 C ATOM 907 CD LYS A 60 4.352 5.033 -11.040 1.00 0.00 C ATOM 908 CE LYS A 60 4.006 5.919 -12.238 1.00 0.00 C ATOM 909 NZ LYS A 60 5.247 6.560 -12.757 1.00 0.00 N ATOM 0 H LYS A 60 0.663 3.883 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 60 2.917 3.502 -13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.486 3.412 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.143 1.877 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.151 3.030 -10.888 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.750 3.511 -12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.601 5.151 -10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.307 5.338 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.537 5.323 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.286 6.682 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.012 7.162 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.676 7.141 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.920 5.824 -13.053 1.00 0.00 H new ATOM 923 N ASN A 61 2.213 1.276 -14.302 1.00 0.00 N ATOM 924 CA ASN A 61 1.807 -0.064 -14.812 1.00 0.00 C ATOM 925 C ASN A 61 2.768 -1.126 -14.275 1.00 0.00 C ATOM 926 O ASN A 61 3.889 -0.834 -13.908 1.00 0.00 O ATOM 927 CB ASN A 61 1.850 -0.062 -16.341 1.00 0.00 C ATOM 928 CG ASN A 61 0.627 0.677 -16.886 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.471 0.158 -16.862 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.772 1.876 -17.380 1.00 0.00 N ATOM 0 H ASN A 61 2.797 1.823 -14.934 1.00 0.00 H new ATOM 0 HA ASN A 61 0.794 -0.289 -14.478 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.764 0.420 -16.689 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.867 -1.085 -16.716 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.037 2.378 -17.746 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.694 2.311 -17.400 1.00 0.00 H new ATOM 937 N GLU A 62 2.338 -2.358 -14.225 1.00 0.00 N ATOM 938 CA GLU A 62 3.229 -3.438 -13.712 1.00 0.00 C ATOM 939 C GLU A 62 4.516 -3.473 -14.539 1.00 0.00 C ATOM 940 O GLU A 62 4.501 -3.272 -15.738 1.00 0.00 O ATOM 941 CB GLU A 62 2.514 -4.786 -13.825 1.00 0.00 C ATOM 942 CG GLU A 62 1.030 -4.607 -13.498 1.00 0.00 C ATOM 943 CD GLU A 62 0.203 -4.772 -14.774 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.506 -5.671 -15.541 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.719 -3.996 -14.963 1.00 0.00 O ATOM 0 H GLU A 62 1.409 -2.663 -14.517 1.00 0.00 H new ATOM 0 HA GLU A 62 3.473 -3.242 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.629 -5.187 -14.832 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.963 -5.506 -13.141 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.720 -5.340 -12.754 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.858 -3.621 -13.066 1.00 0.00 H new ATOM 952 N GLY A 63 5.630 -3.726 -13.909 1.00 0.00 N ATOM 953 CA GLY A 63 6.917 -3.774 -14.661 1.00 0.00 C ATOM 954 C GLY A 63 7.519 -2.370 -14.734 1.00 0.00 C ATOM 955 O GLY A 63 8.457 -2.125 -15.465 1.00 0.00 O ATOM 0 H GLY A 63 5.705 -3.901 -12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.612 -4.454 -14.169 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.749 -4.162 -15.666 1.00 0.00 H new ATOM 959 N ASP A 64 6.987 -1.446 -13.981 1.00 0.00 N ATOM 960 CA ASP A 64 7.531 -0.059 -14.009 1.00 0.00 C ATOM 961 C ASP A 64 8.353 0.187 -12.743 1.00 0.00 C ATOM 962 O ASP A 64 8.360 -0.608 -11.824 1.00 0.00 O ATOM 963 CB ASP A 64 6.363 0.940 -14.106 1.00 0.00 C ATOM 964 CG ASP A 64 6.709 2.267 -13.420 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.622 2.322 -12.204 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.055 3.202 -14.122 1.00 0.00 O ATOM 0 H ASP A 64 6.200 -1.592 -13.348 1.00 0.00 H new ATOM 0 HA ASP A 64 8.179 0.075 -14.875 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.122 1.121 -15.154 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.474 0.510 -13.644 1.00 0.00 H new ATOM 971 N THR A 65 9.048 1.287 -12.695 1.00 0.00 N ATOM 972 CA THR A 65 9.876 1.599 -11.496 1.00 0.00 C ATOM 973 C THR A 65 9.217 2.729 -10.701 1.00 0.00 C ATOM 974 O THR A 65 8.591 3.609 -11.257 1.00 0.00 O ATOM 975 CB THR A 65 11.274 2.037 -11.941 1.00 0.00 C ATOM 976 OG1 THR A 65 11.840 1.033 -12.771 1.00 0.00 O ATOM 977 CG2 THR A 65 12.161 2.245 -10.711 1.00 0.00 C ATOM 0 H THR A 65 9.079 1.987 -13.436 1.00 0.00 H new ATOM 0 HA THR A 65 9.956 0.711 -10.869 1.00 0.00 H new ATOM 0 HB THR A 65 11.203 2.972 -12.497 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.734 1.312 -13.058 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.156 2.557 -11.028 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.725 3.015 -10.074 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.234 1.311 -10.153 1.00 0.00 H new ATOM 985 N VAL A 66 9.352 2.711 -9.404 1.00 0.00 N ATOM 986 CA VAL A 66 8.733 3.784 -8.574 1.00 0.00 C ATOM 987 C VAL A 66 9.808 4.443 -7.707 1.00 0.00 C ATOM 988 O VAL A 66 10.679 3.783 -7.174 1.00 0.00 O ATOM 989 CB VAL A 66 7.656 3.175 -7.675 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.430 2.818 -8.518 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.201 1.910 -7.010 1.00 0.00 C ATOM 0 H VAL A 66 9.864 2.000 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 66 8.282 4.533 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 66 7.374 3.896 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.662 2.384 -7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.040 3.718 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.713 2.097 -9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.433 1.476 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.484 1.189 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.075 2.162 -6.409 1.00 0.00 H new ATOM 1001 N LEU A 67 9.755 5.738 -7.563 1.00 0.00 N ATOM 1002 CA LEU A 67 10.775 6.437 -6.731 1.00 0.00 C ATOM 1003 C LEU A 67 10.179 6.758 -5.357 1.00 0.00 C ATOM 1004 O LEU A 67 9.066 6.381 -5.049 1.00 0.00 O ATOM 1005 CB LEU A 67 11.192 7.737 -7.421 1.00 0.00 C ATOM 1006 CG LEU A 67 12.559 7.548 -8.080 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.370 7.098 -9.529 1.00 0.00 C ATOM 1008 CD2 LEU A 67 13.324 8.874 -8.055 1.00 0.00 C ATOM 0 H LEU A 67 9.050 6.343 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 67 11.647 5.794 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.451 8.018 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.235 8.549 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 67 13.123 6.791 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.345 6.963 -9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.824 6.155 -9.549 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.806 7.855 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 67 14.299 8.741 -8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.759 9.630 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.460 9.196 -7.023 1.00 0.00 H new ATOM 1020 N SER A 68 10.912 7.452 -4.530 1.00 0.00 N ATOM 1021 CA SER A 68 10.387 7.796 -3.179 1.00 0.00 C ATOM 1022 C SER A 68 9.173 8.716 -3.322 1.00 0.00 C ATOM 1023 O SER A 68 9.253 9.778 -3.906 1.00 0.00 O ATOM 1024 CB SER A 68 11.475 8.509 -2.376 1.00 0.00 C ATOM 1025 OG SER A 68 11.262 8.280 -0.989 1.00 0.00 O ATOM 0 H SER A 68 11.851 7.795 -4.732 1.00 0.00 H new ATOM 0 HA SER A 68 10.092 6.884 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.459 8.143 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.457 9.578 -2.587 1.00 0.00 H new ATOM 0 HG SER A 68 10.648 8.957 -0.636 1.00 0.00 H new ATOM 1031 N GLY A 69 8.049 8.316 -2.794 1.00 0.00 N ATOM 1032 CA GLY A 69 6.830 9.169 -2.901 1.00 0.00 C ATOM 1033 C GLY A 69 6.207 8.999 -4.286 1.00 0.00 C ATOM 1034 O GLY A 69 5.610 9.909 -4.825 1.00 0.00 O ATOM 0 H GLY A 69 7.921 7.436 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.111 8.891 -2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.089 10.214 -2.733 1.00 0.00 H new ATOM 1038 N GLU A 70 6.340 7.839 -4.869 1.00 0.00 N ATOM 1039 CA GLU A 70 5.754 7.611 -6.220 1.00 0.00 C ATOM 1040 C GLU A 70 4.278 7.234 -6.079 1.00 0.00 C ATOM 1041 O GLU A 70 3.943 6.127 -5.705 1.00 0.00 O ATOM 1042 CB GLU A 70 6.506 6.477 -6.918 1.00 0.00 C ATOM 1043 CG GLU A 70 6.177 6.489 -8.412 1.00 0.00 C ATOM 1044 CD GLU A 70 6.638 7.812 -9.026 1.00 0.00 C ATOM 1045 OE1 GLU A 70 5.851 8.744 -9.037 1.00 0.00 O ATOM 1046 OE2 GLU A 70 7.771 7.870 -9.475 1.00 0.00 O ATOM 0 H GLU A 70 6.829 7.039 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 70 5.841 8.522 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.580 6.594 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.227 5.518 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.669 5.654 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.105 6.361 -8.560 1.00 0.00 H new ATOM 1053 N LEU A 71 3.392 8.146 -6.373 1.00 0.00 N ATOM 1054 CA LEU A 71 1.938 7.838 -6.256 1.00 0.00 C ATOM 1055 C LEU A 71 1.555 6.781 -7.294 1.00 0.00 C ATOM 1056 O LEU A 71 1.707 6.981 -8.482 1.00 0.00 O ATOM 1057 CB LEU A 71 1.127 9.112 -6.500 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.349 8.842 -6.201 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.855 9.859 -5.176 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.162 8.972 -7.491 1.00 0.00 C ATOM 0 H LEU A 71 3.612 9.091 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 71 1.726 7.458 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.496 9.918 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.246 9.439 -7.533 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.461 7.835 -5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.907 9.668 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.276 9.769 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.744 10.866 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.214 8.780 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.051 9.980 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.801 8.249 -8.223 1.00 0.00 H new ATOM 1072 N LEU A 72 1.058 5.657 -6.854 1.00 0.00 N ATOM 1073 CA LEU A 72 0.665 4.590 -7.816 1.00 0.00 C ATOM 1074 C LEU A 72 -0.833 4.694 -8.110 1.00 0.00 C ATOM 1075 O LEU A 72 -1.320 4.172 -9.093 1.00 0.00 O ATOM 1076 CB LEU A 72 0.972 3.218 -7.210 1.00 0.00 C ATOM 1077 CG LEU A 72 2.442 3.162 -6.793 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.540 2.816 -5.307 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.163 2.089 -7.614 1.00 0.00 C ATOM 0 H LEU A 72 0.907 5.432 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 72 1.226 4.712 -8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.331 3.038 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.758 2.432 -7.935 1.00 0.00 H new ATOM 0 HG LEU A 72 2.907 4.132 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.588 2.776 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.026 3.578 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.076 1.846 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.211 2.048 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.697 1.120 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.095 2.335 -8.674 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.567 5.362 -7.263 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.034 5.499 -7.495 1.00 0.00 C ATOM 1093 C GLY A 73 -3.702 6.048 -6.233 1.00 0.00 C ATOM 1094 O GLY A 73 -3.053 6.310 -5.241 1.00 0.00 O ATOM 0 H GLY A 73 -1.216 5.819 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.219 6.166 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.464 4.532 -7.755 1.00 0.00 H new ATOM 1098 N LYS A 74 -4.995 6.223 -6.263 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.702 6.754 -5.065 1.00 0.00 C ATOM 1100 C LYS A 74 -7.036 6.025 -4.895 1.00 0.00 C ATOM 1101 O LYS A 74 -7.622 5.552 -5.849 1.00 0.00 O ATOM 1102 CB LYS A 74 -5.960 8.252 -5.248 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.763 9.044 -4.717 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.261 10.205 -3.855 1.00 0.00 C ATOM 1105 CE LYS A 74 -4.850 11.532 -4.497 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.898 12.558 -4.231 1.00 0.00 N ATOM 0 H LYS A 74 -5.591 6.021 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.086 6.596 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.121 8.478 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.867 8.543 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.115 8.393 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.167 9.423 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.345 10.158 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.844 10.131 -2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.892 11.862 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.717 11.403 -5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.619 13.460 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.803 12.243 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.004 12.688 -3.205 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.522 5.930 -3.687 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.817 5.230 -3.457 1.00 0.00 C ATOM 1122 C LEU A 75 -9.960 6.247 -3.500 1.00 0.00 C ATOM 1123 O LEU A 75 -9.784 7.406 -3.184 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.792 4.547 -2.088 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.951 3.554 -1.991 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.402 2.126 -1.988 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.728 3.804 -0.697 1.00 0.00 C ATOM 0 H LEU A 75 -7.078 6.307 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.968 4.480 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.843 4.030 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.871 5.292 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.615 3.686 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.228 1.419 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.848 1.947 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.738 1.993 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.555 3.097 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.064 3.672 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.120 4.821 -0.699 1.00 0.00 H new ATOM 1139 N THR A 76 -11.131 5.821 -3.887 1.00 0.00 N ATOM 1140 CA THR A 76 -12.284 6.763 -3.950 1.00 0.00 C ATOM 1141 C THR A 76 -13.139 6.606 -2.691 1.00 0.00 C ATOM 1142 O THR A 76 -12.928 5.715 -1.892 1.00 0.00 O ATOM 1143 CB THR A 76 -13.132 6.451 -5.186 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.280 6.280 -6.311 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.100 7.605 -5.446 1.00 0.00 C ATOM 0 H THR A 76 -11.339 4.861 -4.162 1.00 0.00 H new ATOM 0 HA THR A 76 -11.914 7.786 -4.013 1.00 0.00 H new ATOM 0 HB THR A 76 -13.700 5.536 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.065 5.330 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.703 7.382 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.752 7.735 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.536 8.522 -5.615 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.104 7.464 -2.508 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.973 7.362 -1.301 1.00 0.00 C ATOM 1155 C GLU A 77 -15.941 6.189 -1.466 1.00 0.00 C ATOM 1156 O GLU A 77 -15.809 5.385 -2.367 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.768 8.660 -1.135 1.00 0.00 C ATOM 1158 CG GLU A 77 -14.882 9.721 -0.481 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.737 10.623 0.410 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -16.540 10.093 1.159 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.574 11.830 0.329 1.00 0.00 O ATOM 0 H GLU A 77 -14.329 8.231 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.353 7.199 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.118 9.011 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.652 8.482 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.101 9.243 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.384 10.316 -1.247 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.912 6.084 -0.601 1.00 0.00 N ATOM 1169 CA GLY A 78 -17.887 4.961 -0.709 1.00 0.00 C ATOM 1170 C GLY A 78 -18.295 4.502 0.692 1.00 0.00 C ATOM 1171 O GLY A 78 -17.681 3.627 1.272 1.00 0.00 O ATOM 0 H GLY A 78 -17.073 6.726 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.766 5.281 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.443 4.132 -1.260 1.00 0.00 H new ATOM 1175 N GLY A 79 -19.326 5.083 1.241 1.00 0.00 N ATOM 1176 CA GLY A 79 -19.771 4.679 2.604 1.00 0.00 C ATOM 1177 C GLY A 79 -20.360 3.267 2.553 1.00 0.00 C ATOM 1178 O GLY A 79 -20.571 2.696 3.609 1.00 0.00 O ATOM 0 H GLY A 79 -19.879 5.820 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.929 4.708 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.516 5.382 2.978 1.00 0.00 H new TER 1182 GLY A 79