USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -139:sc= 0.0978 (180deg=0) USER MOD Single : A 4 MET CE :methyl -150:sc= -0.322 (180deg=-2.08) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.198 F(o=-2,f=-0.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00218 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 51:sc= -0.822 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -0.181 USER MOD Single : A 34 THR OG1 : rot -45:sc= 0.776 USER MOD Single : A 35 SER OG : rot -140:sc= -0.139 USER MOD Single : A 40 GLN :FLIP amide:sc=-0.00427 F(o=-0.56,f=-0.0043) USER MOD Single : A 42 MET CE :methyl -127:sc= -0.0389 (180deg=-0.0674) USER MOD Single : A 43 MET CE :methyl -153:sc= -2.25! (180deg=-4.03!) USER MOD Single : A 48 THR OG1 : rot -23:sc= 0.253! USER MOD Single : A 57 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.09) USER MOD Single : A 61 SER OG : rot 82:sc= 0.0864 USER MOD Single : A 63 CYS SG : rot 158:sc= 0.49 USER MOD Single : A 64 ASN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.024 X(o=0.024,f=0) USER MOD Single : A 70 MET CE :methyl 168:sc= -0.196 (180deg=-0.395) USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= -0.438 (180deg=-0.535) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.256 0.575 0.096 1.00 0.00 N ATOM 2 CA ALA A 1 2.045 0.253 -1.310 1.00 0.00 C ATOM 3 C ALA A 1 2.254 -1.235 -1.569 1.00 0.00 C ATOM 4 O ALA A 1 2.560 -1.998 -0.653 1.00 0.00 O ATOM 5 CB ALA A 1 2.976 1.079 -2.185 1.00 0.00 C ATOM 0 H1 ALA A 1 1.533 1.254 0.409 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.185 -0.292 0.665 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.200 0.993 0.218 1.00 0.00 H new ATOM 0 HA ALA A 1 1.013 0.498 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.808 0.829 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.777 2.139 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.011 0.862 -1.921 1.00 0.00 H new ATOM 11 N ASP A 2 2.084 -1.641 -2.823 1.00 0.00 N ATOM 12 CA ASP A 2 2.254 -3.039 -3.203 1.00 0.00 C ATOM 13 C ASP A 2 3.029 -3.155 -4.512 1.00 0.00 C ATOM 14 O ASP A 2 3.217 -2.169 -5.224 1.00 0.00 O ATOM 15 CB ASP A 2 0.892 -3.721 -3.340 1.00 0.00 C ATOM 16 CG ASP A 2 0.203 -3.912 -2.003 1.00 0.00 C ATOM 17 OD1 ASP A 2 0.019 -2.908 -1.283 1.00 0.00 O ATOM 18 OD2 ASP A 2 -0.151 -5.064 -1.676 1.00 0.00 O ATOM 0 H ASP A 2 1.829 -1.022 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 2 2.824 -3.537 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.254 -3.124 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.021 -4.691 -3.821 1.00 0.00 H new ATOM 23 N ASP A 3 3.478 -4.367 -4.822 1.00 0.00 N ATOM 24 CA ASP A 3 4.233 -4.613 -6.045 1.00 0.00 C ATOM 25 C ASP A 3 3.329 -4.518 -7.270 1.00 0.00 C ATOM 26 O ASP A 3 3.575 -3.721 -8.175 1.00 0.00 O ATOM 27 CB ASP A 3 4.897 -5.989 -5.991 1.00 0.00 C ATOM 28 CG ASP A 3 5.880 -6.113 -4.844 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.573 -5.118 -4.547 1.00 0.00 O ATOM 30 OD2 ASP A 3 5.958 -7.206 -4.245 1.00 0.00 O ATOM 0 H ASP A 3 3.332 -5.194 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 3 5.006 -3.848 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.129 -6.756 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.415 -6.176 -6.932 1.00 0.00 H new ATOM 35 N MET A 4 2.282 -5.337 -7.292 1.00 0.00 N ATOM 36 CA MET A 4 1.341 -5.345 -8.406 1.00 0.00 C ATOM 37 C MET A 4 0.798 -3.944 -8.669 1.00 0.00 C ATOM 38 O MET A 4 0.419 -3.617 -9.793 1.00 0.00 O ATOM 39 CB MET A 4 0.186 -6.306 -8.119 1.00 0.00 C ATOM 40 CG MET A 4 0.636 -7.651 -7.573 1.00 0.00 C ATOM 41 SD MET A 4 1.939 -8.404 -8.567 1.00 0.00 S ATOM 42 CE MET A 4 1.220 -8.298 -10.203 1.00 0.00 C ATOM 0 H MET A 4 2.064 -6.003 -6.551 1.00 0.00 H new ATOM 0 HA MET A 4 1.873 -5.683 -9.296 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.493 -5.842 -7.404 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.379 -6.466 -9.037 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.992 -7.523 -6.551 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.219 -8.326 -7.530 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.580 -9.126 -10.813 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.134 -8.349 -10.127 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.507 -7.354 -10.666 1.00 0.00 H new ATOM 52 N GLU A 5 0.765 -3.121 -7.625 1.00 0.00 N ATOM 53 CA GLU A 5 0.267 -1.755 -7.746 1.00 0.00 C ATOM 54 C GLU A 5 1.175 -0.923 -8.646 1.00 0.00 C ATOM 55 O GLU A 5 0.701 -0.156 -9.485 1.00 0.00 O ATOM 56 CB GLU A 5 0.162 -1.104 -6.365 1.00 0.00 C ATOM 57 CG GLU A 5 -0.901 -0.021 -6.282 1.00 0.00 C ATOM 58 CD GLU A 5 -0.928 0.667 -4.931 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.093 0.318 -4.071 1.00 0.00 O ATOM 60 OE2 GLU A 5 -1.785 1.554 -4.734 1.00 0.00 O ATOM 0 H GLU A 5 1.077 -3.376 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.724 -1.794 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.057 -1.874 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.128 -0.674 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.720 0.721 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.878 -0.460 -6.482 1.00 0.00 H new ATOM 67 N ARG A 6 2.482 -1.079 -8.464 1.00 0.00 N ATOM 68 CA ARG A 6 3.457 -0.341 -9.258 1.00 0.00 C ATOM 69 C ARG A 6 3.237 -0.579 -10.749 1.00 0.00 C ATOM 70 O ARG A 6 3.159 0.367 -11.534 1.00 0.00 O ATOM 71 CB ARG A 6 4.879 -0.751 -8.870 1.00 0.00 C ATOM 72 CG ARG A 6 5.308 -0.243 -7.503 1.00 0.00 C ATOM 73 CD ARG A 6 5.757 1.208 -7.564 1.00 0.00 C ATOM 74 NE ARG A 6 6.538 1.589 -6.391 1.00 0.00 N ATOM 75 CZ ARG A 6 7.764 1.141 -6.147 1.00 0.00 C ATOM 76 NH1 ARG A 6 8.347 0.301 -6.991 1.00 0.00 N ATOM 77 NH2 ARG A 6 8.412 1.534 -5.057 1.00 0.00 N ATOM 0 H ARG A 6 2.890 -1.710 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 6 3.324 0.721 -9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.951 -1.839 -8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.574 -0.377 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.479 -0.339 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.121 -0.861 -7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.353 1.366 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.883 1.855 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 6 6.119 2.235 -5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.854 -0.003 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.289 -0.041 -6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.968 2.181 -4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.354 1.189 -4.871 1.00 0.00 H new ATOM 91 N ILE A 7 3.137 -1.847 -11.132 1.00 0.00 N ATOM 92 CA ILE A 7 2.926 -2.209 -12.528 1.00 0.00 C ATOM 93 C ILE A 7 1.575 -1.708 -13.027 1.00 0.00 C ATOM 94 O ILE A 7 1.483 -1.089 -14.087 1.00 0.00 O ATOM 95 CB ILE A 7 3.002 -3.734 -12.732 1.00 0.00 C ATOM 96 CG1 ILE A 7 4.292 -4.288 -12.124 1.00 0.00 C ATOM 97 CG2 ILE A 7 2.918 -4.075 -14.212 1.00 0.00 C ATOM 98 CD1 ILE A 7 4.099 -4.907 -10.758 1.00 0.00 C ATOM 0 H ILE A 7 3.199 -2.641 -10.495 1.00 0.00 H new ATOM 0 HA ILE A 7 3.722 -1.734 -13.101 1.00 0.00 H new ATOM 0 HB ILE A 7 2.156 -4.197 -12.224 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.709 -5.037 -12.797 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.024 -3.483 -12.049 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.973 -5.156 -14.340 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.974 -3.709 -14.617 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.746 -3.604 -14.741 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.055 -5.278 -10.389 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.711 -4.156 -10.070 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.392 -5.733 -10.830 1.00 0.00 H new ATOM 110 N PHE A 8 0.528 -1.977 -12.254 1.00 0.00 N ATOM 111 CA PHE A 8 -0.820 -1.553 -12.617 1.00 0.00 C ATOM 112 C PHE A 8 -0.853 -0.060 -12.933 1.00 0.00 C ATOM 113 O PHE A 8 -1.527 0.374 -13.867 1.00 0.00 O ATOM 114 CB PHE A 8 -1.799 -1.868 -11.484 1.00 0.00 C ATOM 115 CG PHE A 8 -3.183 -1.336 -11.723 1.00 0.00 C ATOM 116 CD1 PHE A 8 -4.069 -2.016 -12.543 1.00 0.00 C ATOM 117 CD2 PHE A 8 -3.598 -0.155 -11.128 1.00 0.00 C ATOM 118 CE1 PHE A 8 -5.344 -1.529 -12.765 1.00 0.00 C ATOM 119 CE2 PHE A 8 -4.871 0.336 -11.345 1.00 0.00 C ATOM 120 CZ PHE A 8 -5.745 -0.351 -12.166 1.00 0.00 C ATOM 0 H PHE A 8 0.587 -2.487 -11.372 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.119 -2.102 -13.509 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.852 -2.948 -11.350 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.413 -1.450 -10.554 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.760 -2.937 -13.014 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.919 0.388 -10.487 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.025 -2.069 -13.406 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.183 1.256 -10.873 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.740 0.033 -12.339 1.00 0.00 H new ATOM 130 N LYS A 9 -0.121 0.721 -12.146 1.00 0.00 N ATOM 131 CA LYS A 9 -0.065 2.165 -12.340 1.00 0.00 C ATOM 132 C LYS A 9 0.930 2.528 -13.438 1.00 0.00 C ATOM 133 O LYS A 9 0.871 3.619 -14.006 1.00 0.00 O ATOM 134 CB LYS A 9 0.325 2.861 -11.034 1.00 0.00 C ATOM 135 CG LYS A 9 -0.709 2.710 -9.932 1.00 0.00 C ATOM 136 CD LYS A 9 -0.405 3.620 -8.754 1.00 0.00 C ATOM 137 CE LYS A 9 -1.222 3.238 -7.529 1.00 0.00 C ATOM 138 NZ LYS A 9 -1.785 4.433 -6.842 1.00 0.00 N ATOM 0 H LYS A 9 0.442 0.378 -11.368 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.055 2.504 -12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.276 2.457 -10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.482 3.922 -11.230 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.699 2.942 -10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.735 1.674 -9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.657 3.566 -8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.618 4.654 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.034 2.574 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.594 2.681 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.335 4.130 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.010 5.054 -6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.405 4.951 -7.498 1.00 0.00 H new ATOM 152 N ARG A 10 1.841 1.607 -13.733 1.00 0.00 N ATOM 153 CA ARG A 10 2.848 1.831 -14.764 1.00 0.00 C ATOM 154 C ARG A 10 2.195 2.233 -16.083 1.00 0.00 C ATOM 155 O ARG A 10 2.540 3.258 -16.671 1.00 0.00 O ATOM 156 CB ARG A 10 3.692 0.571 -14.964 1.00 0.00 C ATOM 157 CG ARG A 10 4.987 0.820 -15.720 1.00 0.00 C ATOM 158 CD ARG A 10 5.505 -0.453 -16.371 1.00 0.00 C ATOM 159 NE ARG A 10 6.787 -0.244 -17.038 1.00 0.00 N ATOM 160 CZ ARG A 10 7.592 -1.233 -17.412 1.00 0.00 C ATOM 161 NH1 ARG A 10 7.248 -2.493 -17.184 1.00 0.00 N ATOM 162 NH2 ARG A 10 8.742 -0.963 -18.014 1.00 0.00 N ATOM 0 H ARG A 10 1.903 0.699 -13.273 1.00 0.00 H new ATOM 0 HA ARG A 10 3.494 2.645 -14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.926 0.142 -13.990 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.102 -0.169 -15.504 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.823 1.580 -16.484 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.739 1.212 -15.036 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.613 -1.229 -15.614 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.774 -0.813 -17.095 1.00 0.00 H new ATOM 0 HE ARG A 10 7.081 0.714 -17.227 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.364 -2.705 -16.721 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.867 -3.251 -17.472 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.010 0.005 -18.191 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.359 -1.723 -18.300 1.00 0.00 H new ATOM 176 N PHE A 11 1.250 1.419 -16.542 1.00 0.00 N ATOM 177 CA PHE A 11 0.550 1.689 -17.793 1.00 0.00 C ATOM 178 C PHE A 11 -0.453 2.826 -17.620 1.00 0.00 C ATOM 179 O PHE A 11 -0.770 3.539 -18.572 1.00 0.00 O ATOM 180 CB PHE A 11 -0.169 0.430 -18.281 1.00 0.00 C ATOM 181 CG PHE A 11 0.729 -0.768 -18.391 1.00 0.00 C ATOM 182 CD1 PHE A 11 2.067 -0.620 -18.720 1.00 0.00 C ATOM 183 CD2 PHE A 11 0.236 -2.043 -18.164 1.00 0.00 C ATOM 184 CE1 PHE A 11 2.895 -1.722 -18.822 1.00 0.00 C ATOM 185 CE2 PHE A 11 1.060 -3.149 -18.265 1.00 0.00 C ATOM 186 CZ PHE A 11 2.392 -2.987 -18.593 1.00 0.00 C ATOM 0 H PHE A 11 0.951 0.567 -16.067 1.00 0.00 H new ATOM 0 HA PHE A 11 1.288 1.989 -18.537 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.986 0.200 -17.597 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.615 0.630 -19.255 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.467 0.367 -18.899 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.804 -2.175 -17.905 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.936 -1.593 -19.081 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.663 -4.138 -18.088 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.039 -3.848 -18.670 1.00 0.00 H new ATOM 196 N ASP A 12 -0.948 2.990 -16.398 1.00 0.00 N ATOM 197 CA ASP A 12 -1.915 4.040 -16.099 1.00 0.00 C ATOM 198 C ASP A 12 -1.226 5.396 -15.986 1.00 0.00 C ATOM 199 O ASP A 12 -1.231 6.021 -14.924 1.00 0.00 O ATOM 200 CB ASP A 12 -2.659 3.722 -14.801 1.00 0.00 C ATOM 201 CG ASP A 12 -4.043 4.341 -14.761 1.00 0.00 C ATOM 202 OD1 ASP A 12 -4.135 5.585 -14.691 1.00 0.00 O ATOM 203 OD2 ASP A 12 -5.033 3.582 -14.800 1.00 0.00 O ATOM 0 H ASP A 12 -0.696 2.409 -15.598 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.632 4.084 -16.918 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.744 2.641 -14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.077 4.085 -13.954 1.00 0.00 H new ATOM 208 N THR A 13 -0.632 5.846 -17.087 1.00 0.00 N ATOM 209 CA THR A 13 0.063 7.127 -17.111 1.00 0.00 C ATOM 210 C THR A 13 -0.834 8.230 -17.661 1.00 0.00 C ATOM 211 O THR A 13 -0.377 9.341 -17.924 1.00 0.00 O ATOM 212 CB THR A 13 1.347 7.054 -17.960 1.00 0.00 C ATOM 213 OG1 THR A 13 1.973 5.777 -17.791 1.00 0.00 O ATOM 214 CG2 THR A 13 2.318 8.157 -17.568 1.00 0.00 C ATOM 0 H THR A 13 -0.618 5.342 -17.974 1.00 0.00 H new ATOM 0 HA THR A 13 0.330 7.360 -16.080 1.00 0.00 H new ATOM 0 HB THR A 13 1.073 7.188 -19.006 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.787 5.737 -18.335 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.217 8.085 -18.181 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.848 9.128 -17.725 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.586 8.049 -16.517 1.00 0.00 H new ATOM 222 N ASN A 14 -2.114 7.914 -17.833 1.00 0.00 N ATOM 223 CA ASN A 14 -3.076 8.879 -18.353 1.00 0.00 C ATOM 224 C ASN A 14 -4.083 9.275 -17.278 1.00 0.00 C ATOM 225 O ASN A 14 -5.113 9.881 -17.571 1.00 0.00 O ATOM 226 CB ASN A 14 -3.807 8.299 -19.565 1.00 0.00 C ATOM 227 CG ASN A 14 -3.841 6.783 -19.549 1.00 0.00 C ATOM 228 OD1 ASN A 14 -4.360 6.214 -18.467 1.00 0.00 O flip ATOM 229 ND2 ASN A 14 -3.407 6.131 -20.498 1.00 0.00 N flip ATOM 0 H ASN A 14 -2.509 6.998 -17.620 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.530 9.771 -18.660 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.827 8.682 -19.588 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.318 8.639 -20.478 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.017 6.610 -21.310 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.438 5.112 -20.473 1.00 0.00 H new ATOM 236 N GLY A 15 -3.778 8.928 -16.031 1.00 0.00 N ATOM 237 CA GLY A 15 -4.666 9.256 -14.931 1.00 0.00 C ATOM 238 C GLY A 15 -6.023 8.594 -15.065 1.00 0.00 C ATOM 239 O GLY A 15 -7.040 9.159 -14.660 1.00 0.00 O ATOM 0 H GLY A 15 -2.932 8.426 -15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.206 8.948 -13.992 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.796 10.337 -14.883 1.00 0.00 H new ATOM 243 N ASP A 16 -6.041 7.394 -15.635 1.00 0.00 N ATOM 244 CA ASP A 16 -7.284 6.654 -15.822 1.00 0.00 C ATOM 245 C ASP A 16 -7.474 5.623 -14.714 1.00 0.00 C ATOM 246 O ASP A 16 -6.598 5.434 -13.871 1.00 0.00 O ATOM 247 CB ASP A 16 -7.290 5.963 -17.186 1.00 0.00 C ATOM 248 CG ASP A 16 -7.445 6.943 -18.332 1.00 0.00 C ATOM 249 OD1 ASP A 16 -7.186 8.147 -18.122 1.00 0.00 O ATOM 250 OD2 ASP A 16 -7.823 6.507 -19.439 1.00 0.00 O ATOM 0 H ASP A 16 -5.209 6.913 -15.976 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.111 7.363 -15.779 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.362 5.406 -17.312 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.104 5.238 -17.219 1.00 0.00 H new ATOM 255 N GLY A 17 -8.626 4.959 -14.722 1.00 0.00 N ATOM 256 CA GLY A 17 -8.911 3.957 -13.712 1.00 0.00 C ATOM 257 C GLY A 17 -8.684 2.545 -14.216 1.00 0.00 C ATOM 258 O GLY A 17 -9.033 1.574 -13.545 1.00 0.00 O ATOM 0 H GLY A 17 -9.367 5.097 -15.410 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.281 4.134 -12.841 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.945 4.060 -13.384 1.00 0.00 H new ATOM 262 N LYS A 18 -8.099 2.430 -15.403 1.00 0.00 N ATOM 263 CA LYS A 18 -7.825 1.127 -15.999 1.00 0.00 C ATOM 264 C LYS A 18 -6.619 1.197 -16.930 1.00 0.00 C ATOM 265 O LYS A 18 -6.174 2.283 -17.303 1.00 0.00 O ATOM 266 CB LYS A 18 -9.050 0.629 -16.769 1.00 0.00 C ATOM 267 CG LYS A 18 -10.288 0.465 -15.904 1.00 0.00 C ATOM 268 CD LYS A 18 -11.460 -0.075 -16.706 1.00 0.00 C ATOM 269 CE LYS A 18 -12.747 0.669 -16.382 1.00 0.00 C ATOM 270 NZ LYS A 18 -13.624 0.807 -17.577 1.00 0.00 N ATOM 0 H LYS A 18 -7.805 3.224 -15.972 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.600 0.427 -15.195 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.271 1.328 -17.575 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.812 -0.328 -17.233 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.069 -0.211 -15.078 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.557 1.426 -15.466 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.245 0.014 -17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.589 -1.136 -16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.285 0.139 -15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.506 1.658 -15.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.490 1.319 -17.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.120 1.335 -18.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.875 -0.137 -17.934 1.00 0.00 H new ATOM 284 N ILE A 19 -6.097 0.034 -17.302 1.00 0.00 N ATOM 285 CA ILE A 19 -4.944 -0.036 -18.192 1.00 0.00 C ATOM 286 C ILE A 19 -5.203 -0.989 -19.354 1.00 0.00 C ATOM 287 O ILE A 19 -5.767 -2.068 -19.171 1.00 0.00 O ATOM 288 CB ILE A 19 -3.680 -0.493 -17.440 1.00 0.00 C ATOM 289 CG1 ILE A 19 -3.915 -1.854 -16.782 1.00 0.00 C ATOM 290 CG2 ILE A 19 -3.279 0.542 -16.400 1.00 0.00 C ATOM 291 CD1 ILE A 19 -2.687 -2.416 -16.101 1.00 0.00 C ATOM 0 H ILE A 19 -6.454 -0.873 -17.001 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.783 0.970 -18.580 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.865 -0.593 -18.157 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.716 -1.761 -16.049 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.256 -2.560 -17.539 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.384 0.205 -15.877 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.075 1.493 -16.893 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.091 0.672 -15.684 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.927 -3.382 -15.657 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.890 -2.542 -16.834 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.357 -1.730 -15.321 1.00 0.00 H new ATOM 303 N SER A 20 -4.787 -0.583 -20.549 1.00 0.00 N ATOM 304 CA SER A 20 -4.975 -1.399 -21.742 1.00 0.00 C ATOM 305 C SER A 20 -4.288 -2.753 -21.589 1.00 0.00 C ATOM 306 O SER A 20 -3.090 -2.826 -21.311 1.00 0.00 O ATOM 307 CB SER A 20 -4.430 -0.674 -22.974 1.00 0.00 C ATOM 308 OG SER A 20 -4.155 -1.586 -24.023 1.00 0.00 O ATOM 0 H SER A 20 -4.317 0.307 -20.717 1.00 0.00 H new ATOM 0 HA SER A 20 -6.044 -1.566 -21.872 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.153 0.067 -23.313 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.521 -0.134 -22.709 1.00 0.00 H new ATOM 0 HG SER A 20 -3.809 -1.097 -24.799 1.00 0.00 H new ATOM 314 N LEU A 21 -5.054 -3.822 -21.771 1.00 0.00 N ATOM 315 CA LEU A 21 -4.520 -5.175 -21.653 1.00 0.00 C ATOM 316 C LEU A 21 -3.913 -5.637 -22.974 1.00 0.00 C ATOM 317 O LEU A 21 -3.174 -6.621 -23.018 1.00 0.00 O ATOM 318 CB LEU A 21 -5.622 -6.143 -21.219 1.00 0.00 C ATOM 319 CG LEU A 21 -7.004 -5.905 -21.828 1.00 0.00 C ATOM 320 CD1 LEU A 21 -6.947 -6.026 -23.343 1.00 0.00 C ATOM 321 CD2 LEU A 21 -8.018 -6.882 -21.251 1.00 0.00 C ATOM 0 H LEU A 21 -6.047 -3.779 -22.001 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.735 -5.165 -20.897 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.307 -7.156 -21.469 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.712 -6.096 -20.134 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.321 -4.893 -21.576 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.939 -5.854 -23.759 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.253 -5.286 -23.741 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.608 -7.025 -23.616 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.996 -6.697 -21.696 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.706 -7.903 -21.471 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.080 -6.747 -20.171 1.00 0.00 H new ATOM 333 N SER A 22 -4.228 -4.920 -24.048 1.00 0.00 N ATOM 334 CA SER A 22 -3.714 -5.258 -25.370 1.00 0.00 C ATOM 335 C SER A 22 -2.293 -4.732 -25.551 1.00 0.00 C ATOM 336 O SER A 22 -1.409 -5.452 -26.016 1.00 0.00 O ATOM 337 CB SER A 22 -4.625 -4.683 -26.456 1.00 0.00 C ATOM 338 OG SER A 22 -5.733 -5.533 -26.696 1.00 0.00 O ATOM 0 H SER A 22 -4.837 -4.102 -24.029 1.00 0.00 H new ATOM 0 HA SER A 22 -3.695 -6.344 -25.459 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.978 -3.697 -26.154 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.058 -4.550 -27.378 1.00 0.00 H new ATOM 0 HG SER A 22 -6.300 -5.142 -27.393 1.00 0.00 H new ATOM 344 N GLU A 23 -2.083 -3.473 -25.181 1.00 0.00 N ATOM 345 CA GLU A 23 -0.770 -2.851 -25.304 1.00 0.00 C ATOM 346 C GLU A 23 0.231 -3.500 -24.352 1.00 0.00 C ATOM 347 O GLU A 23 1.439 -3.471 -24.590 1.00 0.00 O ATOM 348 CB GLU A 23 -0.863 -1.350 -25.018 1.00 0.00 C ATOM 349 CG GLU A 23 -1.082 -1.023 -23.550 1.00 0.00 C ATOM 350 CD GLU A 23 -1.179 0.468 -23.293 1.00 0.00 C ATOM 351 OE1 GLU A 23 -0.971 1.248 -24.246 1.00 0.00 O ATOM 352 OE2 GLU A 23 -1.462 0.855 -22.140 1.00 0.00 O ATOM 0 H GLU A 23 -2.804 -2.864 -24.794 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.421 -2.998 -26.326 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.053 -0.867 -25.357 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.681 -0.927 -25.602 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.996 -1.507 -23.206 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.262 -1.437 -22.963 1.00 0.00 H new ATOM 359 N LEU A 24 -0.280 -4.085 -23.275 1.00 0.00 N ATOM 360 CA LEU A 24 0.568 -4.741 -22.286 1.00 0.00 C ATOM 361 C LEU A 24 1.353 -5.887 -22.916 1.00 0.00 C ATOM 362 O LEU A 24 2.584 -5.867 -22.948 1.00 0.00 O ATOM 363 CB LEU A 24 -0.280 -5.267 -21.126 1.00 0.00 C ATOM 364 CG LEU A 24 0.368 -6.342 -20.254 1.00 0.00 C ATOM 365 CD1 LEU A 24 0.083 -7.727 -20.815 1.00 0.00 C ATOM 366 CD2 LEU A 24 1.867 -6.108 -20.144 1.00 0.00 C ATOM 0 H LEU A 24 -1.277 -4.119 -23.064 1.00 0.00 H new ATOM 0 HA LEU A 24 1.276 -4.005 -21.906 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.550 -4.425 -20.489 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.208 -5.669 -21.534 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.063 -6.281 -19.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.552 -8.480 -20.181 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.994 -7.894 -20.841 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.486 -7.801 -21.825 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.311 -6.883 -19.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.314 -6.142 -21.137 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.051 -5.131 -19.696 1.00 0.00 H new ATOM 378 N THR A 25 0.633 -6.884 -23.420 1.00 0.00 N ATOM 379 CA THR A 25 1.261 -8.038 -24.051 1.00 0.00 C ATOM 380 C THR A 25 2.222 -7.606 -25.154 1.00 0.00 C ATOM 381 O THR A 25 3.271 -8.220 -25.351 1.00 0.00 O ATOM 382 CB THR A 25 0.211 -8.994 -24.646 1.00 0.00 C ATOM 383 OG1 THR A 25 0.847 -9.948 -25.504 1.00 0.00 O ATOM 384 CG2 THR A 25 -0.841 -8.223 -25.429 1.00 0.00 C ATOM 0 H THR A 25 -0.386 -6.915 -23.403 1.00 0.00 H new ATOM 0 HA THR A 25 1.817 -8.561 -23.272 1.00 0.00 H new ATOM 0 HB THR A 25 -0.280 -9.515 -23.824 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.594 -10.369 -25.029 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.572 -8.920 -25.840 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.344 -7.518 -24.767 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.362 -7.678 -26.242 1.00 0.00 H new ATOM 392 N ASP A 26 1.857 -6.548 -25.868 1.00 0.00 N ATOM 393 CA ASP A 26 2.688 -6.033 -26.951 1.00 0.00 C ATOM 394 C ASP A 26 3.841 -5.200 -26.401 1.00 0.00 C ATOM 395 O ASP A 26 4.845 -4.988 -27.080 1.00 0.00 O ATOM 396 CB ASP A 26 1.846 -5.190 -27.911 1.00 0.00 C ATOM 397 CG ASP A 26 2.417 -5.172 -29.316 1.00 0.00 C ATOM 398 OD1 ASP A 26 3.332 -4.363 -29.573 1.00 0.00 O ATOM 399 OD2 ASP A 26 1.946 -5.965 -30.158 1.00 0.00 O ATOM 0 H ASP A 26 0.992 -6.030 -25.717 1.00 0.00 H new ATOM 0 HA ASP A 26 3.103 -6.882 -27.494 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.830 -5.583 -27.940 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.783 -4.169 -27.534 1.00 0.00 H new ATOM 404 N ALA A 27 3.690 -4.730 -25.167 1.00 0.00 N ATOM 405 CA ALA A 27 4.720 -3.922 -24.526 1.00 0.00 C ATOM 406 C ALA A 27 5.745 -4.800 -23.817 1.00 0.00 C ATOM 407 O ALA A 27 6.932 -4.474 -23.774 1.00 0.00 O ATOM 408 CB ALA A 27 4.089 -2.946 -23.544 1.00 0.00 C ATOM 0 H ALA A 27 2.864 -4.895 -24.591 1.00 0.00 H new ATOM 0 HA ALA A 27 5.239 -3.357 -25.301 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.869 -2.349 -23.072 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.401 -2.289 -24.076 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.544 -3.500 -22.780 1.00 0.00 H new ATOM 414 N LEU A 28 5.281 -5.914 -23.263 1.00 0.00 N ATOM 415 CA LEU A 28 6.158 -6.839 -22.555 1.00 0.00 C ATOM 416 C LEU A 28 7.357 -7.220 -23.417 1.00 0.00 C ATOM 417 O LEU A 28 8.410 -7.597 -22.902 1.00 0.00 O ATOM 418 CB LEU A 28 5.386 -8.097 -22.150 1.00 0.00 C ATOM 419 CG LEU A 28 4.785 -8.092 -20.744 1.00 0.00 C ATOM 420 CD1 LEU A 28 3.891 -9.306 -20.542 1.00 0.00 C ATOM 421 CD2 LEU A 28 5.885 -8.057 -19.694 1.00 0.00 C ATOM 0 H LEU A 28 4.302 -6.199 -23.290 1.00 0.00 H new ATOM 0 HA LEU A 28 6.523 -6.340 -21.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.580 -8.251 -22.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.056 -8.953 -22.234 1.00 0.00 H new ATOM 0 HG LEU A 28 4.176 -7.195 -20.633 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.472 -9.286 -19.536 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.082 -9.288 -21.272 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.477 -10.215 -20.673 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.439 -8.054 -18.700 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.521 -8.936 -19.804 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.485 -7.156 -19.825 1.00 0.00 H new ATOM 433 N ARG A 29 7.191 -7.118 -24.731 1.00 0.00 N ATOM 434 CA ARG A 29 8.260 -7.450 -25.665 1.00 0.00 C ATOM 435 C ARG A 29 9.491 -6.585 -25.413 1.00 0.00 C ATOM 436 O ARG A 29 10.624 -7.022 -25.618 1.00 0.00 O ATOM 437 CB ARG A 29 7.782 -7.268 -27.107 1.00 0.00 C ATOM 438 CG ARG A 29 7.703 -5.814 -27.543 1.00 0.00 C ATOM 439 CD ARG A 29 7.096 -5.680 -28.931 1.00 0.00 C ATOM 440 NE ARG A 29 8.061 -5.174 -29.903 1.00 0.00 N ATOM 441 CZ ARG A 29 8.921 -5.948 -30.557 1.00 0.00 C ATOM 442 NH1 ARG A 29 8.935 -7.256 -30.344 1.00 0.00 N ATOM 443 NH2 ARG A 29 9.768 -5.412 -31.427 1.00 0.00 N ATOM 0 H ARG A 29 6.326 -6.808 -25.173 1.00 0.00 H new ATOM 0 HA ARG A 29 8.533 -8.494 -25.509 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.457 -7.803 -27.775 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.798 -7.725 -27.215 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.105 -5.251 -26.827 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.701 -5.377 -27.538 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.725 -6.651 -29.260 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.238 -5.009 -28.888 1.00 0.00 H new ATOM 0 HE ARG A 29 8.076 -4.171 -30.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.285 -7.671 -29.677 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.596 -7.848 -30.847 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.759 -4.406 -31.594 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.428 -6.006 -31.929 1.00 0.00 H new ATOM 457 N THR A 30 9.262 -5.354 -24.966 1.00 0.00 N ATOM 458 CA THR A 30 10.351 -4.427 -24.687 1.00 0.00 C ATOM 459 C THR A 30 10.990 -4.720 -23.334 1.00 0.00 C ATOM 460 O THR A 30 12.165 -4.422 -23.113 1.00 0.00 O ATOM 461 CB THR A 30 9.864 -2.966 -24.706 1.00 0.00 C ATOM 462 OG1 THR A 30 10.954 -2.090 -25.015 1.00 0.00 O ATOM 463 CG2 THR A 30 9.261 -2.579 -23.364 1.00 0.00 C ATOM 0 H THR A 30 8.331 -4.976 -24.789 1.00 0.00 H new ATOM 0 HA THR A 30 11.093 -4.565 -25.474 1.00 0.00 H new ATOM 0 HB THR A 30 9.095 -2.873 -25.473 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.636 -1.163 -25.027 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.924 -1.543 -23.402 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.413 -3.228 -23.145 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.013 -2.688 -22.582 1.00 0.00 H new ATOM 471 N LEU A 31 10.211 -5.306 -22.432 1.00 0.00 N ATOM 472 CA LEU A 31 10.701 -5.641 -21.099 1.00 0.00 C ATOM 473 C LEU A 31 11.593 -6.877 -21.142 1.00 0.00 C ATOM 474 O LEU A 31 12.184 -7.264 -20.135 1.00 0.00 O ATOM 475 CB LEU A 31 9.528 -5.877 -20.147 1.00 0.00 C ATOM 476 CG LEU A 31 9.123 -4.690 -19.272 1.00 0.00 C ATOM 477 CD1 LEU A 31 10.276 -4.273 -18.372 1.00 0.00 C ATOM 478 CD2 LEU A 31 8.669 -3.522 -20.135 1.00 0.00 C ATOM 0 H LEU A 31 9.237 -5.559 -22.599 1.00 0.00 H new ATOM 0 HA LEU A 31 11.293 -4.801 -20.735 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.663 -6.179 -20.737 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.778 -6.714 -19.495 1.00 0.00 H new ATOM 0 HG LEU A 31 8.288 -4.996 -18.641 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.970 -3.427 -17.757 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.556 -5.107 -17.729 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.130 -3.985 -18.985 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.385 -2.686 -19.496 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.484 -3.216 -20.791 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.813 -3.826 -20.737 1.00 0.00 H new ATOM 490 N GLY A 32 11.688 -7.492 -22.317 1.00 0.00 N ATOM 491 CA GLY A 32 12.512 -8.677 -22.470 1.00 0.00 C ATOM 492 C GLY A 32 11.757 -9.953 -22.152 1.00 0.00 C ATOM 493 O GLY A 32 12.355 -11.023 -22.036 1.00 0.00 O ATOM 0 H GLY A 32 11.209 -7.191 -23.166 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.887 -8.726 -23.492 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.380 -8.599 -21.815 1.00 0.00 H new ATOM 497 N SER A 33 10.441 -9.840 -22.007 1.00 0.00 N ATOM 498 CA SER A 33 9.604 -10.992 -21.694 1.00 0.00 C ATOM 499 C SER A 33 9.555 -11.963 -22.871 1.00 0.00 C ATOM 500 O SER A 33 9.355 -11.559 -24.017 1.00 0.00 O ATOM 501 CB SER A 33 8.189 -10.539 -21.333 1.00 0.00 C ATOM 502 OG SER A 33 7.833 -10.966 -20.030 1.00 0.00 O ATOM 0 H SER A 33 9.931 -8.962 -22.101 1.00 0.00 H new ATOM 0 HA SER A 33 10.042 -11.506 -20.838 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.125 -9.453 -21.393 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.480 -10.940 -22.057 1.00 0.00 H new ATOM 0 HG SER A 33 6.864 -11.108 -19.985 1.00 0.00 H new ATOM 508 N THR A 34 9.738 -13.247 -22.579 1.00 0.00 N ATOM 509 CA THR A 34 9.716 -14.276 -23.610 1.00 0.00 C ATOM 510 C THR A 34 8.384 -15.016 -23.620 1.00 0.00 C ATOM 511 O THR A 34 8.291 -16.140 -24.112 1.00 0.00 O ATOM 512 CB THR A 34 10.855 -15.294 -23.413 1.00 0.00 C ATOM 513 OG1 THR A 34 10.942 -16.159 -24.550 1.00 0.00 O ATOM 514 CG2 THR A 34 10.629 -16.122 -22.156 1.00 0.00 C ATOM 0 H THR A 34 9.903 -13.599 -21.636 1.00 0.00 H new ATOM 0 HA THR A 34 9.854 -13.769 -24.565 1.00 0.00 H new ATOM 0 HB THR A 34 11.789 -14.743 -23.304 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.044 -16.461 -24.801 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.446 -16.834 -22.038 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.593 -15.463 -21.288 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.686 -16.662 -22.241 1.00 0.00 H new ATOM 522 N SER A 35 7.354 -14.378 -23.073 1.00 0.00 N ATOM 523 CA SER A 35 6.026 -14.978 -23.016 1.00 0.00 C ATOM 524 C SER A 35 4.965 -13.996 -23.503 1.00 0.00 C ATOM 525 O SER A 35 3.776 -14.164 -23.231 1.00 0.00 O ATOM 526 CB SER A 35 5.706 -15.426 -21.588 1.00 0.00 C ATOM 527 OG SER A 35 5.836 -14.349 -20.676 1.00 0.00 O ATOM 0 H SER A 35 7.414 -13.446 -22.663 1.00 0.00 H new ATOM 0 HA SER A 35 6.019 -15.848 -23.672 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.691 -15.822 -21.546 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.376 -16.235 -21.298 1.00 0.00 H new ATOM 0 HG SER A 35 6.252 -14.669 -19.848 1.00 0.00 H new ATOM 533 N ALA A 36 5.404 -12.970 -24.225 1.00 0.00 N ATOM 534 CA ALA A 36 4.493 -11.962 -24.752 1.00 0.00 C ATOM 535 C ALA A 36 3.352 -12.606 -25.533 1.00 0.00 C ATOM 536 O ALA A 36 2.264 -12.041 -25.641 1.00 0.00 O ATOM 537 CB ALA A 36 5.248 -10.977 -25.633 1.00 0.00 C ATOM 0 H ALA A 36 6.385 -12.815 -24.458 1.00 0.00 H new ATOM 0 HA ALA A 36 4.062 -11.422 -23.909 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.555 -10.230 -26.020 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.023 -10.484 -25.046 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.707 -11.511 -26.465 1.00 0.00 H new ATOM 543 N ASP A 37 3.609 -13.791 -26.075 1.00 0.00 N ATOM 544 CA ASP A 37 2.603 -14.513 -26.846 1.00 0.00 C ATOM 545 C ASP A 37 1.647 -15.263 -25.924 1.00 0.00 C ATOM 546 O ASP A 37 0.466 -15.418 -26.234 1.00 0.00 O ATOM 547 CB ASP A 37 3.275 -15.492 -27.810 1.00 0.00 C ATOM 548 CG ASP A 37 4.564 -14.943 -28.388 1.00 0.00 C ATOM 549 OD1 ASP A 37 4.498 -13.969 -29.167 1.00 0.00 O ATOM 550 OD2 ASP A 37 5.640 -15.487 -28.062 1.00 0.00 O ATOM 0 H ASP A 37 4.505 -14.272 -25.995 1.00 0.00 H new ATOM 0 HA ASP A 37 2.029 -13.786 -27.420 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.483 -16.426 -27.288 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.587 -15.727 -28.622 1.00 0.00 H new ATOM 555 N GLU A 38 2.166 -15.726 -24.791 1.00 0.00 N ATOM 556 CA GLU A 38 1.358 -16.462 -23.826 1.00 0.00 C ATOM 557 C GLU A 38 0.538 -15.506 -22.962 1.00 0.00 C ATOM 558 O GLU A 38 -0.578 -15.825 -22.552 1.00 0.00 O ATOM 559 CB GLU A 38 2.249 -17.332 -22.938 1.00 0.00 C ATOM 560 CG GLU A 38 1.473 -18.250 -22.009 1.00 0.00 C ATOM 561 CD GLU A 38 2.231 -19.521 -21.678 1.00 0.00 C ATOM 562 OE1 GLU A 38 3.429 -19.603 -22.021 1.00 0.00 O ATOM 563 OE2 GLU A 38 1.627 -20.433 -21.076 1.00 0.00 O ATOM 0 H GLU A 38 3.142 -15.604 -24.519 1.00 0.00 H new ATOM 0 HA GLU A 38 0.673 -17.104 -24.379 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.900 -17.935 -23.571 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.894 -16.687 -22.342 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.244 -17.717 -21.086 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.521 -18.509 -22.472 1.00 0.00 H new ATOM 570 N VAL A 39 1.102 -14.334 -22.690 1.00 0.00 N ATOM 571 CA VAL A 39 0.425 -13.331 -21.876 1.00 0.00 C ATOM 572 C VAL A 39 -0.776 -12.747 -22.611 1.00 0.00 C ATOM 573 O VAL A 39 -1.765 -12.357 -21.991 1.00 0.00 O ATOM 574 CB VAL A 39 1.380 -12.188 -21.485 1.00 0.00 C ATOM 575 CG1 VAL A 39 1.792 -11.392 -22.714 1.00 0.00 C ATOM 576 CG2 VAL A 39 0.731 -11.284 -20.448 1.00 0.00 C ATOM 0 H VAL A 39 2.026 -14.055 -23.021 1.00 0.00 H new ATOM 0 HA VAL A 39 0.084 -13.834 -20.971 1.00 0.00 H new ATOM 0 HB VAL A 39 2.278 -12.622 -21.045 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.467 -10.589 -22.418 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.299 -12.050 -23.420 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.906 -10.966 -23.186 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.419 -10.482 -20.183 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.183 -10.856 -20.859 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.491 -11.865 -19.558 1.00 0.00 H new ATOM 586 N GLN A 40 -0.682 -12.689 -23.935 1.00 0.00 N ATOM 587 CA GLN A 40 -1.762 -12.152 -24.755 1.00 0.00 C ATOM 588 C GLN A 40 -3.024 -12.997 -24.615 1.00 0.00 C ATOM 589 O GLN A 40 -4.135 -12.469 -24.577 1.00 0.00 O ATOM 590 CB GLN A 40 -1.335 -12.090 -26.222 1.00 0.00 C ATOM 591 CG GLN A 40 -2.495 -12.196 -27.199 1.00 0.00 C ATOM 592 CD GLN A 40 -2.043 -12.185 -28.646 1.00 0.00 C ATOM 593 OE1 GLN A 40 -0.988 -12.935 -28.943 1.00 0.00 O flip ATOM 594 NE2 GLN A 40 -2.634 -11.508 -29.487 1.00 0.00 N flip ATOM 0 H GLN A 40 0.131 -13.007 -24.463 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.982 -11.143 -24.406 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.807 -11.153 -26.399 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.629 -12.896 -26.421 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.048 -13.115 -27.002 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.183 -11.368 -27.031 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.441 -10.946 -29.214 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.317 -11.509 -30.457 1.00 0.00 H new ATOM 603 N ARG A 41 -2.844 -14.312 -24.540 1.00 0.00 N ATOM 604 CA ARG A 41 -3.968 -15.231 -24.407 1.00 0.00 C ATOM 605 C ARG A 41 -4.388 -15.367 -22.947 1.00 0.00 C ATOM 606 O ARG A 41 -5.507 -15.784 -22.649 1.00 0.00 O ATOM 607 CB ARG A 41 -3.602 -16.603 -24.975 1.00 0.00 C ATOM 608 CG ARG A 41 -2.340 -17.196 -24.370 1.00 0.00 C ATOM 609 CD ARG A 41 -1.989 -18.530 -25.010 1.00 0.00 C ATOM 610 NE ARG A 41 -2.760 -19.631 -24.440 1.00 0.00 N ATOM 611 CZ ARG A 41 -2.747 -20.867 -24.926 1.00 0.00 C ATOM 612 NH1 ARG A 41 -2.006 -21.157 -25.987 1.00 0.00 N ATOM 613 NH2 ARG A 41 -3.476 -21.815 -24.352 1.00 0.00 N ATOM 0 H ARG A 41 -1.930 -14.765 -24.569 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.807 -14.825 -24.972 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.432 -17.289 -24.808 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.472 -16.517 -26.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.511 -16.500 -24.500 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.478 -17.331 -23.297 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.173 -18.477 -26.083 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.925 -18.726 -24.878 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.341 -19.440 -23.623 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.445 -20.430 -26.431 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.997 -22.107 -26.359 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.048 -21.595 -23.536 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.465 -22.764 -24.726 1.00 0.00 H new ATOM 627 N MET A 42 -3.482 -15.015 -22.040 1.00 0.00 N ATOM 628 CA MET A 42 -3.759 -15.098 -20.611 1.00 0.00 C ATOM 629 C MET A 42 -4.522 -13.866 -20.133 1.00 0.00 C ATOM 630 O MET A 42 -5.495 -13.978 -19.388 1.00 0.00 O ATOM 631 CB MET A 42 -2.455 -15.242 -19.824 1.00 0.00 C ATOM 632 CG MET A 42 -1.744 -16.564 -20.064 1.00 0.00 C ATOM 633 SD MET A 42 -1.949 -17.722 -18.698 1.00 0.00 S ATOM 634 CE MET A 42 -3.390 -18.636 -19.242 1.00 0.00 C ATOM 0 H MET A 42 -2.550 -14.670 -22.270 1.00 0.00 H new ATOM 0 HA MET A 42 -4.378 -15.978 -20.437 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.786 -14.425 -20.093 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.669 -15.142 -18.760 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.126 -17.017 -20.979 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.682 -16.377 -20.220 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.145 -18.627 -18.456 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.797 -18.173 -20.141 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.107 -19.665 -19.461 1.00 0.00 H new ATOM 644 N MET A 43 -4.072 -12.693 -20.564 1.00 0.00 N ATOM 645 CA MET A 43 -4.713 -11.441 -20.180 1.00 0.00 C ATOM 646 C MET A 43 -6.198 -11.461 -20.529 1.00 0.00 C ATOM 647 O MET A 43 -7.000 -10.762 -19.911 1.00 0.00 O ATOM 648 CB MET A 43 -4.030 -10.260 -20.873 1.00 0.00 C ATOM 649 CG MET A 43 -3.900 -10.430 -22.377 1.00 0.00 C ATOM 650 SD MET A 43 -4.850 -9.206 -23.300 1.00 0.00 S ATOM 651 CE MET A 43 -4.346 -9.581 -24.977 1.00 0.00 C ATOM 0 H MET A 43 -3.266 -12.583 -21.179 1.00 0.00 H new ATOM 0 HA MET A 43 -4.613 -11.327 -19.101 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.596 -9.351 -20.666 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.037 -10.122 -20.444 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.849 -10.356 -22.658 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.234 -11.429 -22.656 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.431 -8.685 -25.592 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.312 -9.924 -24.978 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.988 -10.362 -25.384 1.00 0.00 H new ATOM 661 N ALA A 44 -6.557 -12.266 -21.524 1.00 0.00 N ATOM 662 CA ALA A 44 -7.945 -12.377 -21.954 1.00 0.00 C ATOM 663 C ALA A 44 -8.794 -13.068 -20.892 1.00 0.00 C ATOM 664 O ALA A 44 -10.015 -12.918 -20.867 1.00 0.00 O ATOM 665 CB ALA A 44 -8.030 -13.131 -23.273 1.00 0.00 C ATOM 0 H ALA A 44 -5.905 -12.851 -22.047 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.337 -11.370 -22.098 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.072 -13.207 -23.582 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.463 -12.596 -24.035 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.615 -14.131 -23.148 1.00 0.00 H new ATOM 671 N GLU A 45 -8.139 -13.826 -20.018 1.00 0.00 N ATOM 672 CA GLU A 45 -8.836 -14.541 -18.955 1.00 0.00 C ATOM 673 C GLU A 45 -9.346 -13.573 -17.891 1.00 0.00 C ATOM 674 O GLU A 45 -10.491 -13.667 -17.449 1.00 0.00 O ATOM 675 CB GLU A 45 -7.911 -15.578 -18.315 1.00 0.00 C ATOM 676 CG GLU A 45 -7.293 -16.542 -19.315 1.00 0.00 C ATOM 677 CD GLU A 45 -8.271 -17.602 -19.784 1.00 0.00 C ATOM 678 OE1 GLU A 45 -9.463 -17.512 -19.422 1.00 0.00 O ATOM 679 OE2 GLU A 45 -7.844 -18.521 -20.513 1.00 0.00 O ATOM 0 H GLU A 45 -7.128 -13.961 -20.025 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.692 -15.052 -19.397 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.114 -15.061 -17.781 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.474 -16.147 -17.575 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.929 -15.982 -20.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.428 -17.026 -18.861 1.00 0.00 H new ATOM 686 N ILE A 46 -8.487 -12.644 -17.486 1.00 0.00 N ATOM 687 CA ILE A 46 -8.850 -11.658 -16.475 1.00 0.00 C ATOM 688 C ILE A 46 -9.891 -10.680 -17.009 1.00 0.00 C ATOM 689 O ILE A 46 -10.756 -10.214 -16.270 1.00 0.00 O ATOM 690 CB ILE A 46 -7.619 -10.868 -15.992 1.00 0.00 C ATOM 691 CG1 ILE A 46 -6.845 -10.308 -17.187 1.00 0.00 C ATOM 692 CG2 ILE A 46 -6.722 -11.753 -15.140 1.00 0.00 C ATOM 693 CD1 ILE A 46 -5.790 -9.295 -16.801 1.00 0.00 C ATOM 0 H ILE A 46 -7.535 -12.553 -17.842 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.271 -12.209 -15.634 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.959 -10.033 -15.379 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.369 -11.131 -17.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.547 -9.844 -17.879 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.857 -11.180 -14.806 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.279 -12.108 -14.273 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.387 -12.606 -15.730 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.281 -8.940 -17.697 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.262 -8.453 -16.295 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.066 -9.761 -16.133 1.00 0.00 H new ATOM 705 N ASP A 47 -9.800 -10.375 -18.299 1.00 0.00 N ATOM 706 CA ASP A 47 -10.736 -9.453 -18.934 1.00 0.00 C ATOM 707 C ASP A 47 -12.117 -10.086 -19.067 1.00 0.00 C ATOM 708 O ASP A 47 -12.326 -10.984 -19.883 1.00 0.00 O ATOM 709 CB ASP A 47 -10.218 -9.037 -20.312 1.00 0.00 C ATOM 710 CG ASP A 47 -10.893 -7.782 -20.828 1.00 0.00 C ATOM 711 OD1 ASP A 47 -11.590 -7.078 -19.943 1.00 0.00 O ATOM 712 OD2 ASP A 47 -10.789 -7.449 -22.008 1.00 0.00 O ATOM 0 H ASP A 47 -9.089 -10.752 -18.925 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.821 -8.568 -18.303 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.142 -8.872 -20.258 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.380 -9.851 -21.019 1.00 0.00 H new ATOM 717 N THR A 48 -13.060 -9.610 -18.259 1.00 0.00 N ATOM 718 CA THR A 48 -14.422 -10.129 -18.286 1.00 0.00 C ATOM 719 C THR A 48 -15.300 -9.320 -19.233 1.00 0.00 C ATOM 720 O THR A 48 -16.373 -9.769 -19.637 1.00 0.00 O ATOM 721 CB THR A 48 -15.055 -10.118 -16.881 1.00 0.00 C ATOM 722 OG1 THR A 48 -16.416 -10.556 -16.954 1.00 0.00 O ATOM 723 CG2 THR A 48 -14.997 -8.725 -16.273 1.00 0.00 C ATOM 0 H THR A 48 -12.905 -8.866 -17.578 1.00 0.00 H new ATOM 0 HA THR A 48 -14.361 -11.158 -18.641 1.00 0.00 H new ATOM 0 HB THR A 48 -14.488 -10.799 -16.245 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.759 -10.409 -17.860 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.450 -8.742 -15.282 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.958 -8.406 -16.192 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.542 -8.027 -16.909 1.00 0.00 H new ATOM 731 N ASP A 49 -14.838 -8.125 -19.585 1.00 0.00 N ATOM 732 CA ASP A 49 -15.582 -7.253 -20.487 1.00 0.00 C ATOM 733 C ASP A 49 -14.963 -7.259 -21.881 1.00 0.00 C ATOM 734 O ASP A 49 -15.426 -6.558 -22.780 1.00 0.00 O ATOM 735 CB ASP A 49 -15.617 -5.826 -19.937 1.00 0.00 C ATOM 736 CG ASP A 49 -14.869 -5.692 -18.625 1.00 0.00 C ATOM 737 OD1 ASP A 49 -15.485 -5.929 -17.565 1.00 0.00 O ATOM 738 OD2 ASP A 49 -13.669 -5.349 -18.659 1.00 0.00 O ATOM 0 H ASP A 49 -13.952 -7.738 -19.260 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.602 -7.631 -20.560 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -15.183 -5.146 -20.670 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.653 -5.520 -19.794 1.00 0.00 H new ATOM 743 N GLY A 50 -13.913 -8.056 -22.054 1.00 0.00 N ATOM 744 CA GLY A 50 -13.247 -8.138 -23.340 1.00 0.00 C ATOM 745 C GLY A 50 -12.970 -6.772 -23.937 1.00 0.00 C ATOM 746 O GLY A 50 -13.018 -6.598 -25.155 1.00 0.00 O ATOM 0 H GLY A 50 -13.512 -8.647 -21.326 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.307 -8.678 -23.225 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.864 -8.714 -24.029 1.00 0.00 H new ATOM 750 N ASP A 51 -12.680 -5.801 -23.079 1.00 0.00 N ATOM 751 CA ASP A 51 -12.395 -4.443 -23.528 1.00 0.00 C ATOM 752 C ASP A 51 -10.894 -4.168 -23.509 1.00 0.00 C ATOM 753 O ASP A 51 -10.115 -4.959 -22.978 1.00 0.00 O ATOM 754 CB ASP A 51 -13.123 -3.428 -22.646 1.00 0.00 C ATOM 755 CG ASP A 51 -12.466 -3.262 -21.290 1.00 0.00 C ATOM 756 OD1 ASP A 51 -12.209 -4.288 -20.626 1.00 0.00 O ATOM 757 OD2 ASP A 51 -12.207 -2.106 -20.894 1.00 0.00 O ATOM 0 H ASP A 51 -12.636 -5.929 -22.068 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.752 -4.343 -24.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.150 -2.464 -23.154 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.157 -3.746 -22.509 1.00 0.00 H new ATOM 762 N GLY A 52 -10.496 -3.042 -24.094 1.00 0.00 N ATOM 763 CA GLY A 52 -9.091 -2.684 -24.134 1.00 0.00 C ATOM 764 C GLY A 52 -8.630 -2.000 -22.862 1.00 0.00 C ATOM 765 O GLY A 52 -7.884 -1.022 -22.910 1.00 0.00 O ATOM 0 H GLY A 52 -11.122 -2.372 -24.541 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.495 -3.582 -24.296 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.911 -2.024 -24.983 1.00 0.00 H new ATOM 769 N PHE A 53 -9.076 -2.514 -21.721 1.00 0.00 N ATOM 770 CA PHE A 53 -8.707 -1.945 -20.430 1.00 0.00 C ATOM 771 C PHE A 53 -9.002 -2.926 -19.299 1.00 0.00 C ATOM 772 O PHE A 53 -9.921 -3.739 -19.393 1.00 0.00 O ATOM 773 CB PHE A 53 -9.460 -0.634 -20.193 1.00 0.00 C ATOM 774 CG PHE A 53 -8.787 0.562 -20.803 1.00 0.00 C ATOM 775 CD1 PHE A 53 -7.599 1.047 -20.280 1.00 0.00 C ATOM 776 CD2 PHE A 53 -9.342 1.202 -21.900 1.00 0.00 C ATOM 777 CE1 PHE A 53 -6.979 2.148 -20.839 1.00 0.00 C ATOM 778 CE2 PHE A 53 -8.726 2.303 -22.463 1.00 0.00 C ATOM 779 CZ PHE A 53 -7.542 2.776 -21.933 1.00 0.00 C ATOM 0 H PHE A 53 -9.694 -3.324 -21.664 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.636 -1.744 -20.442 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.466 -0.723 -20.603 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.566 -0.474 -19.120 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.153 0.559 -19.426 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.267 0.836 -22.320 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.054 2.518 -20.421 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.170 2.793 -23.317 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.057 3.635 -22.373 1.00 0.00 H new ATOM 789 N ILE A 54 -8.215 -2.842 -18.231 1.00 0.00 N ATOM 790 CA ILE A 54 -8.392 -3.721 -17.082 1.00 0.00 C ATOM 791 C ILE A 54 -8.170 -2.967 -15.775 1.00 0.00 C ATOM 792 O ILE A 54 -7.212 -2.207 -15.640 1.00 0.00 O ATOM 793 CB ILE A 54 -7.429 -4.922 -17.139 1.00 0.00 C ATOM 794 CG1 ILE A 54 -6.003 -4.447 -17.423 1.00 0.00 C ATOM 795 CG2 ILE A 54 -7.884 -5.915 -18.198 1.00 0.00 C ATOM 796 CD1 ILE A 54 -4.944 -5.464 -17.058 1.00 0.00 C ATOM 0 H ILE A 54 -7.449 -2.175 -18.138 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.418 -4.087 -17.118 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.438 -5.423 -16.171 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.913 -4.205 -18.482 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.818 -3.527 -16.869 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.194 -6.758 -18.227 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.884 -6.273 -17.955 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.900 -5.426 -19.172 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.958 -5.060 -17.286 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.007 -5.688 -15.993 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.104 -6.377 -17.631 1.00 0.00 H new ATOM 808 N ASP A 55 -9.062 -3.186 -14.814 1.00 0.00 N ATOM 809 CA ASP A 55 -8.962 -2.530 -13.516 1.00 0.00 C ATOM 810 C ASP A 55 -8.036 -3.306 -12.584 1.00 0.00 C ATOM 811 O ASP A 55 -7.404 -4.281 -12.991 1.00 0.00 O ATOM 812 CB ASP A 55 -10.348 -2.395 -12.881 1.00 0.00 C ATOM 813 CG ASP A 55 -11.436 -2.165 -13.912 1.00 0.00 C ATOM 814 OD1 ASP A 55 -11.798 -3.130 -14.618 1.00 0.00 O ATOM 815 OD2 ASP A 55 -11.926 -1.021 -14.011 1.00 0.00 O ATOM 0 H ASP A 55 -9.861 -3.812 -14.910 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.542 -1.536 -13.671 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.574 -3.298 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.341 -1.566 -12.173 1.00 0.00 H new ATOM 820 N PHE A 56 -7.961 -2.867 -11.332 1.00 0.00 N ATOM 821 CA PHE A 56 -7.111 -3.519 -10.343 1.00 0.00 C ATOM 822 C PHE A 56 -7.529 -4.972 -10.140 1.00 0.00 C ATOM 823 O PHE A 56 -6.689 -5.870 -10.091 1.00 0.00 O ATOM 824 CB PHE A 56 -7.172 -2.767 -9.012 1.00 0.00 C ATOM 825 CG PHE A 56 -5.917 -2.889 -8.196 1.00 0.00 C ATOM 826 CD1 PHE A 56 -4.680 -2.618 -8.759 1.00 0.00 C ATOM 827 CD2 PHE A 56 -5.974 -3.275 -6.866 1.00 0.00 C ATOM 828 CE1 PHE A 56 -3.523 -2.728 -8.011 1.00 0.00 C ATOM 829 CE2 PHE A 56 -4.820 -3.387 -6.114 1.00 0.00 C ATOM 830 CZ PHE A 56 -3.593 -3.114 -6.687 1.00 0.00 C ATOM 0 H PHE A 56 -8.479 -2.062 -10.978 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.086 -3.503 -10.714 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.367 -1.713 -9.208 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.013 -3.144 -8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.619 -2.317 -9.795 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.930 -3.490 -6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.565 -2.512 -8.461 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.877 -3.688 -5.078 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.690 -3.202 -6.101 1.00 0.00 H new ATOM 840 N ASN A 57 -8.834 -5.195 -10.022 1.00 0.00 N ATOM 841 CA ASN A 57 -9.365 -6.539 -9.822 1.00 0.00 C ATOM 842 C ASN A 57 -9.023 -7.440 -11.005 1.00 0.00 C ATOM 843 O ASN A 57 -8.671 -8.605 -10.828 1.00 0.00 O ATOM 844 CB ASN A 57 -10.882 -6.487 -9.628 1.00 0.00 C ATOM 845 CG ASN A 57 -11.308 -7.001 -8.267 1.00 0.00 C ATOM 846 OD1 ASN A 57 -12.153 -6.401 -7.601 1.00 0.00 O ATOM 847 ND2 ASN A 57 -10.725 -8.117 -7.847 1.00 0.00 N ATOM 0 H ASN A 57 -9.543 -4.463 -10.061 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.905 -6.955 -8.926 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.226 -5.460 -9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.366 -7.079 -10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.972 -8.511 -6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.030 -8.581 -8.432 1.00 0.00 H new ATOM 854 N GLU A 58 -9.129 -6.890 -12.211 1.00 0.00 N ATOM 855 CA GLU A 58 -8.831 -7.645 -13.423 1.00 0.00 C ATOM 856 C GLU A 58 -7.334 -7.916 -13.541 1.00 0.00 C ATOM 857 O GLU A 58 -6.910 -9.060 -13.707 1.00 0.00 O ATOM 858 CB GLU A 58 -9.322 -6.885 -14.657 1.00 0.00 C ATOM 859 CG GLU A 58 -10.832 -6.909 -14.826 1.00 0.00 C ATOM 860 CD GLU A 58 -11.277 -6.367 -16.171 1.00 0.00 C ATOM 861 OE1 GLU A 58 -11.105 -5.153 -16.407 1.00 0.00 O ATOM 862 OE2 GLU A 58 -11.797 -7.157 -16.987 1.00 0.00 O ATOM 0 H GLU A 58 -9.419 -5.926 -12.375 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.352 -8.601 -13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.989 -5.849 -14.592 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.859 -7.314 -15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.190 -7.932 -14.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.292 -6.322 -14.031 1.00 0.00 H new ATOM 869 N PHE A 59 -6.538 -6.855 -13.454 1.00 0.00 N ATOM 870 CA PHE A 59 -5.089 -6.977 -13.552 1.00 0.00 C ATOM 871 C PHE A 59 -4.543 -7.883 -12.452 1.00 0.00 C ATOM 872 O PHE A 59 -3.575 -8.615 -12.660 1.00 0.00 O ATOM 873 CB PHE A 59 -4.432 -5.598 -13.465 1.00 0.00 C ATOM 874 CG PHE A 59 -2.944 -5.629 -13.661 1.00 0.00 C ATOM 875 CD1 PHE A 59 -2.396 -6.117 -14.837 1.00 0.00 C ATOM 876 CD2 PHE A 59 -2.091 -5.170 -12.670 1.00 0.00 C ATOM 877 CE1 PHE A 59 -1.027 -6.147 -15.021 1.00 0.00 C ATOM 878 CE2 PHE A 59 -0.721 -5.197 -12.848 1.00 0.00 C ATOM 879 CZ PHE A 59 -0.188 -5.687 -14.025 1.00 0.00 C ATOM 0 H PHE A 59 -6.873 -5.901 -13.316 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.852 -7.424 -14.517 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.876 -4.945 -14.217 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.653 -5.160 -12.492 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.047 -6.478 -15.619 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.502 -4.787 -11.748 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.614 -6.530 -15.942 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.067 -4.835 -12.068 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.883 -5.710 -14.166 1.00 0.00 H new ATOM 889 N ILE A 60 -5.171 -7.828 -11.283 1.00 0.00 N ATOM 890 CA ILE A 60 -4.750 -8.643 -10.150 1.00 0.00 C ATOM 891 C ILE A 60 -5.053 -10.118 -10.392 1.00 0.00 C ATOM 892 O ILE A 60 -4.222 -10.985 -10.120 1.00 0.00 O ATOM 893 CB ILE A 60 -5.439 -8.196 -8.847 1.00 0.00 C ATOM 894 CG1 ILE A 60 -4.733 -6.969 -8.267 1.00 0.00 C ATOM 895 CG2 ILE A 60 -5.452 -9.333 -7.838 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.442 -7.297 -7.550 1.00 0.00 C ATOM 0 H ILE A 60 -5.974 -7.227 -11.095 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.673 -8.507 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.471 -7.925 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.523 -6.266 -9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.407 -6.466 -7.573 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.942 -9.002 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.995 -10.182 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.428 -9.632 -7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.996 -6.380 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.648 -7.976 -6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.750 -7.772 -8.245 1.00 0.00 H new ATOM 908 N SER A 61 -6.247 -10.395 -10.906 1.00 0.00 N ATOM 909 CA SER A 61 -6.660 -11.765 -11.183 1.00 0.00 C ATOM 910 C SER A 61 -5.587 -12.508 -11.972 1.00 0.00 C ATOM 911 O SER A 61 -5.477 -13.732 -11.894 1.00 0.00 O ATOM 912 CB SER A 61 -7.979 -11.775 -11.959 1.00 0.00 C ATOM 913 OG SER A 61 -9.088 -11.707 -11.080 1.00 0.00 O ATOM 0 H SER A 61 -6.945 -9.689 -11.139 1.00 0.00 H new ATOM 0 HA SER A 61 -6.803 -12.275 -10.230 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.005 -10.931 -12.649 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.043 -12.681 -12.561 1.00 0.00 H new ATOM 0 HG SER A 61 -9.245 -10.774 -10.823 1.00 0.00 H new ATOM 919 N PHE A 62 -4.796 -11.758 -12.734 1.00 0.00 N ATOM 920 CA PHE A 62 -3.731 -12.344 -13.539 1.00 0.00 C ATOM 921 C PHE A 62 -2.631 -12.918 -12.651 1.00 0.00 C ATOM 922 O PHE A 62 -2.097 -13.994 -12.923 1.00 0.00 O ATOM 923 CB PHE A 62 -3.144 -11.296 -14.486 1.00 0.00 C ATOM 924 CG PHE A 62 -2.406 -11.888 -15.653 1.00 0.00 C ATOM 925 CD1 PHE A 62 -1.306 -12.706 -15.451 1.00 0.00 C ATOM 926 CD2 PHE A 62 -2.813 -11.627 -16.951 1.00 0.00 C ATOM 927 CE1 PHE A 62 -0.625 -13.252 -16.522 1.00 0.00 C ATOM 928 CE2 PHE A 62 -2.136 -12.171 -18.027 1.00 0.00 C ATOM 929 CZ PHE A 62 -1.041 -12.985 -17.812 1.00 0.00 C ATOM 0 H PHE A 62 -4.873 -10.744 -12.810 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.158 -13.156 -14.127 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.949 -10.663 -14.859 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.466 -10.652 -13.926 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.977 -12.919 -14.445 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.669 -10.991 -17.125 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.232 -13.887 -16.351 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.463 -11.960 -19.034 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.511 -13.412 -18.651 1.00 0.00 H new ATOM 939 N CYS A 63 -2.297 -12.192 -11.590 1.00 0.00 N ATOM 940 CA CYS A 63 -1.258 -12.626 -10.662 1.00 0.00 C ATOM 941 C CYS A 63 -1.792 -13.692 -9.710 1.00 0.00 C ATOM 942 O CYS A 63 -1.135 -14.701 -9.462 1.00 0.00 O ATOM 943 CB CYS A 63 -0.725 -11.434 -9.866 1.00 0.00 C ATOM 944 SG CYS A 63 0.643 -11.841 -8.757 1.00 0.00 S ATOM 0 H CYS A 63 -2.730 -11.300 -11.351 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.443 -13.058 -11.243 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.397 -10.663 -10.563 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.540 -11.008 -9.280 1.00 0.00 H new ATOM 0 HG CYS A 63 1.324 -10.765 -8.495 1.00 0.00 H new ATOM 950 N ASN A 64 -2.988 -13.458 -9.179 1.00 0.00 N ATOM 951 CA ASN A 64 -3.609 -14.397 -8.252 1.00 0.00 C ATOM 952 C ASN A 64 -3.770 -15.771 -8.895 1.00 0.00 C ATOM 953 O ASN A 64 -3.886 -16.782 -8.203 1.00 0.00 O ATOM 954 CB ASN A 64 -4.972 -13.871 -7.798 1.00 0.00 C ATOM 955 CG ASN A 64 -4.943 -13.340 -6.378 1.00 0.00 C ATOM 956 OD1 ASN A 64 -5.349 -14.025 -5.439 1.00 0.00 O ATOM 957 ND2 ASN A 64 -4.462 -12.113 -6.215 1.00 0.00 N ATOM 0 H ASN A 64 -3.546 -12.627 -9.375 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.957 -14.496 -7.384 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.296 -13.079 -8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.709 -14.671 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.418 -11.702 -5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.136 -11.581 -7.022 1.00 0.00 H new ATOM 964 N ALA A 65 -3.775 -15.799 -10.223 1.00 0.00 N ATOM 965 CA ALA A 65 -3.918 -17.048 -10.960 1.00 0.00 C ATOM 966 C ALA A 65 -2.586 -17.783 -11.060 1.00 0.00 C ATOM 967 O ALA A 65 -2.546 -18.980 -11.343 1.00 0.00 O ATOM 968 CB ALA A 65 -4.481 -16.781 -12.349 1.00 0.00 C ATOM 0 H ALA A 65 -3.682 -14.971 -10.811 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.614 -17.685 -10.414 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.582 -17.723 -12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.458 -16.307 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.806 -16.122 -12.895 1.00 0.00 H new ATOM 974 N ASN A 66 -1.497 -17.058 -10.827 1.00 0.00 N ATOM 975 CA ASN A 66 -0.162 -17.642 -10.892 1.00 0.00 C ATOM 976 C ASN A 66 0.027 -18.425 -12.187 1.00 0.00 C ATOM 977 O ASN A 66 0.377 -19.606 -12.182 1.00 0.00 O ATOM 978 CB ASN A 66 0.076 -18.558 -9.689 1.00 0.00 C ATOM 979 CG ASN A 66 0.272 -17.782 -8.401 1.00 0.00 C ATOM 980 OD1 ASN A 66 1.401 -17.510 -7.992 1.00 0.00 O ATOM 981 ND2 ASN A 66 -0.830 -17.420 -7.755 1.00 0.00 N ATOM 0 H ASN A 66 -1.512 -16.066 -10.592 1.00 0.00 H new ATOM 0 HA ASN A 66 0.564 -16.829 -10.871 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.772 -19.234 -9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.954 -19.176 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.761 -16.895 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.746 -17.667 -8.131 1.00 0.00 H new ATOM 988 N PRO A 67 -0.209 -17.754 -13.324 1.00 0.00 N ATOM 989 CA PRO A 67 -0.071 -18.367 -14.649 1.00 0.00 C ATOM 990 C PRO A 67 1.384 -18.655 -15.005 1.00 0.00 C ATOM 991 O PRO A 67 1.679 -19.598 -15.737 1.00 0.00 O ATOM 992 CB PRO A 67 -0.654 -17.311 -15.591 1.00 0.00 C ATOM 993 CG PRO A 67 -0.484 -16.021 -14.866 1.00 0.00 C ATOM 994 CD PRO A 67 -0.629 -16.345 -13.405 1.00 0.00 C ATOM 0 HA PRO A 67 -0.574 -19.332 -14.706 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.130 -17.300 -16.546 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.704 -17.509 -15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.492 -15.582 -15.073 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.233 -15.295 -15.181 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.002 -15.703 -12.787 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.656 -16.212 -13.064 1.00 0.00 H new ATOM 1002 N GLY A 68 2.290 -17.835 -14.482 1.00 0.00 N ATOM 1003 CA GLY A 68 3.703 -18.018 -14.756 1.00 0.00 C ATOM 1004 C GLY A 68 4.288 -16.880 -15.569 1.00 0.00 C ATOM 1005 O GLY A 68 5.457 -16.921 -15.956 1.00 0.00 O ATOM 0 H GLY A 68 2.070 -17.047 -13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.245 -18.103 -13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.847 -18.956 -15.293 1.00 0.00 H new ATOM 1009 N LEU A 69 3.475 -15.863 -15.831 1.00 0.00 N ATOM 1010 CA LEU A 69 3.919 -14.709 -16.605 1.00 0.00 C ATOM 1011 C LEU A 69 4.246 -13.533 -15.690 1.00 0.00 C ATOM 1012 O LEU A 69 5.363 -13.017 -15.701 1.00 0.00 O ATOM 1013 CB LEU A 69 2.842 -14.301 -17.612 1.00 0.00 C ATOM 1014 CG LEU A 69 2.355 -15.402 -18.556 1.00 0.00 C ATOM 1015 CD1 LEU A 69 3.502 -16.326 -18.935 1.00 0.00 C ATOM 1016 CD2 LEU A 69 1.222 -16.190 -17.916 1.00 0.00 C ATOM 0 H LEU A 69 2.505 -15.814 -15.519 1.00 0.00 H new ATOM 0 HA LEU A 69 4.824 -14.990 -17.143 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.984 -13.917 -17.061 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.228 -13.478 -18.214 1.00 0.00 H new ATOM 0 HG LEU A 69 1.977 -14.934 -19.465 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.137 -17.103 -19.607 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.282 -15.752 -19.435 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.910 -16.787 -18.036 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.888 -16.969 -18.601 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.574 -16.647 -16.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.391 -15.519 -17.696 1.00 0.00 H new ATOM 1028 N MET A 70 3.264 -13.115 -14.898 1.00 0.00 N ATOM 1029 CA MET A 70 3.449 -12.002 -13.974 1.00 0.00 C ATOM 1030 C MET A 70 4.586 -12.289 -12.998 1.00 0.00 C ATOM 1031 O MET A 70 5.226 -11.370 -12.487 1.00 0.00 O ATOM 1032 CB MET A 70 2.156 -11.730 -13.203 1.00 0.00 C ATOM 1033 CG MET A 70 1.056 -11.120 -14.057 1.00 0.00 C ATOM 1034 SD MET A 70 1.126 -9.319 -14.096 1.00 0.00 S ATOM 1035 CE MET A 70 1.905 -9.045 -15.685 1.00 0.00 C ATOM 0 H MET A 70 2.332 -13.530 -14.878 1.00 0.00 H new ATOM 0 HA MET A 70 3.708 -11.118 -14.557 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.795 -12.665 -12.774 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.373 -11.060 -12.371 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.135 -11.505 -15.074 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.086 -11.434 -13.672 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.827 -7.991 -15.952 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.956 -9.328 -15.629 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.407 -9.649 -16.443 1.00 0.00 H new ATOM 1045 N LYS A 71 4.831 -13.569 -12.742 1.00 0.00 N ATOM 1046 CA LYS A 71 5.891 -13.978 -11.828 1.00 0.00 C ATOM 1047 C LYS A 71 7.235 -13.399 -12.259 1.00 0.00 C ATOM 1048 O LYS A 71 7.985 -12.870 -11.438 1.00 0.00 O ATOM 1049 CB LYS A 71 5.979 -15.505 -11.767 1.00 0.00 C ATOM 1050 CG LYS A 71 4.718 -16.166 -11.235 1.00 0.00 C ATOM 1051 CD LYS A 71 5.021 -17.512 -10.599 1.00 0.00 C ATOM 1052 CE LYS A 71 5.564 -18.501 -11.618 1.00 0.00 C ATOM 1053 NZ LYS A 71 4.608 -19.612 -11.878 1.00 0.00 N ATOM 0 H LYS A 71 4.309 -14.342 -13.155 1.00 0.00 H new ATOM 0 HA LYS A 71 5.650 -13.593 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.187 -15.889 -12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.821 -15.787 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.246 -15.513 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.005 -16.299 -12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.746 -17.381 -9.796 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.114 -17.914 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.778 -17.980 -12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.508 -18.911 -11.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.703 -19.928 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.815 -20.405 -11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.636 -19.280 -11.714 1.00 0.00 H new ATOM 1067 N ASP A 72 7.531 -13.500 -13.550 1.00 0.00 N ATOM 1068 CA ASP A 72 8.783 -12.983 -14.090 1.00 0.00 C ATOM 1069 C ASP A 72 8.667 -11.494 -14.402 1.00 0.00 C ATOM 1070 O ASP A 72 9.659 -10.766 -14.387 1.00 0.00 O ATOM 1071 CB ASP A 72 9.176 -13.753 -15.352 1.00 0.00 C ATOM 1072 CG ASP A 72 10.678 -13.841 -15.532 1.00 0.00 C ATOM 1073 OD1 ASP A 72 11.269 -12.879 -16.068 1.00 0.00 O ATOM 1074 OD2 ASP A 72 11.264 -14.870 -15.137 1.00 0.00 O ATOM 0 H ASP A 72 6.921 -13.935 -14.242 1.00 0.00 H new ATOM 0 HA ASP A 72 9.558 -13.118 -13.336 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.759 -14.759 -15.305 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.737 -13.266 -16.223 1.00 0.00 H new ATOM 1079 N VAL A 73 7.447 -11.048 -14.687 1.00 0.00 N ATOM 1080 CA VAL A 73 7.201 -9.647 -15.004 1.00 0.00 C ATOM 1081 C VAL A 73 7.391 -8.764 -13.775 1.00 0.00 C ATOM 1082 O VAL A 73 8.240 -7.873 -13.764 1.00 0.00 O ATOM 1083 CB VAL A 73 5.778 -9.438 -15.556 1.00 0.00 C ATOM 1084 CG1 VAL A 73 5.553 -7.977 -15.913 1.00 0.00 C ATOM 1085 CG2 VAL A 73 5.540 -10.333 -16.764 1.00 0.00 C ATOM 0 H VAL A 73 6.614 -11.637 -14.705 1.00 0.00 H new ATOM 0 HA VAL A 73 7.925 -9.364 -15.768 1.00 0.00 H new ATOM 0 HB VAL A 73 5.062 -9.712 -14.781 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.543 -7.849 -16.301 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.681 -7.361 -15.023 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.274 -7.672 -16.671 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.530 -10.173 -17.142 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.262 -10.091 -17.544 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.657 -11.377 -16.472 1.00 0.00 H new ATOM 1095 N ALA A 74 6.596 -9.019 -12.742 1.00 0.00 N ATOM 1096 CA ALA A 74 6.679 -8.249 -11.506 1.00 0.00 C ATOM 1097 C ALA A 74 8.106 -8.222 -10.971 1.00 0.00 C ATOM 1098 O ALA A 74 8.504 -7.282 -10.283 1.00 0.00 O ATOM 1099 CB ALA A 74 5.732 -8.823 -10.462 1.00 0.00 C ATOM 0 H ALA A 74 5.887 -9.752 -12.736 1.00 0.00 H new ATOM 0 HA ALA A 74 6.382 -7.223 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.804 -8.239 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.709 -8.784 -10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.003 -9.858 -10.255 1.00 0.00 H new ATOM 1105 N LYS A 75 8.873 -9.259 -11.291 1.00 0.00 N ATOM 1106 CA LYS A 75 10.257 -9.354 -10.843 1.00 0.00 C ATOM 1107 C LYS A 75 11.070 -8.160 -11.330 1.00 0.00 C ATOM 1108 O LYS A 75 12.030 -7.743 -10.681 1.00 0.00 O ATOM 1109 CB LYS A 75 10.889 -10.655 -11.345 1.00 0.00 C ATOM 1110 CG LYS A 75 11.846 -10.456 -12.507 1.00 0.00 C ATOM 1111 CD LYS A 75 12.181 -11.774 -13.186 1.00 0.00 C ATOM 1112 CE LYS A 75 12.765 -12.775 -12.201 1.00 0.00 C ATOM 1113 NZ LYS A 75 14.007 -13.408 -12.725 1.00 0.00 N ATOM 0 H LYS A 75 8.559 -10.046 -11.859 1.00 0.00 H new ATOM 0 HA LYS A 75 10.261 -9.352 -9.753 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.423 -11.131 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.098 -11.340 -11.650 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.402 -9.774 -13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.762 -9.987 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.281 -12.190 -13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.892 -11.598 -13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.983 -12.272 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.026 -13.547 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.374 -14.084 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.794 -13.909 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.721 -12.674 -12.905 1.00 0.00 H new ATOM 1127 N VAL A 76 10.680 -7.612 -12.477 1.00 0.00 N ATOM 1128 CA VAL A 76 11.372 -6.464 -13.050 1.00 0.00 C ATOM 1129 C VAL A 76 10.980 -5.175 -12.338 1.00 0.00 C ATOM 1130 O VAL A 76 11.655 -4.152 -12.465 1.00 0.00 O ATOM 1131 CB VAL A 76 11.069 -6.319 -14.554 1.00 0.00 C ATOM 1132 CG1 VAL A 76 12.097 -5.420 -15.222 1.00 0.00 C ATOM 1133 CG2 VAL A 76 11.028 -7.685 -15.223 1.00 0.00 C ATOM 0 H VAL A 76 9.888 -7.945 -13.027 1.00 0.00 H new ATOM 0 HA VAL A 76 12.440 -6.639 -12.917 1.00 0.00 H new ATOM 0 HB VAL A 76 10.089 -5.855 -14.666 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.866 -5.330 -16.283 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.072 -4.433 -14.760 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.091 -5.852 -15.102 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.813 -7.564 -16.285 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.992 -8.178 -15.102 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.249 -8.293 -14.762 1.00 0.00 H new ATOM 1143 N PHE A 77 9.885 -5.229 -11.587 1.00 0.00 N ATOM 1144 CA PHE A 77 9.402 -4.065 -10.853 1.00 0.00 C ATOM 1145 C PHE A 77 8.835 -4.474 -9.497 1.00 0.00 C ATOM 1146 O PHE A 77 7.842 -3.915 -9.034 1.00 0.00 O ATOM 1147 CB PHE A 77 8.333 -3.332 -11.665 1.00 0.00 C ATOM 1148 CG PHE A 77 8.490 -1.838 -11.650 1.00 0.00 C ATOM 1149 CD1 PHE A 77 9.694 -1.250 -12.003 1.00 0.00 C ATOM 1150 CD2 PHE A 77 7.432 -1.021 -11.282 1.00 0.00 C ATOM 1151 CE1 PHE A 77 9.841 0.124 -11.991 1.00 0.00 C ATOM 1152 CE2 PHE A 77 7.573 0.354 -11.269 1.00 0.00 C ATOM 1153 CZ PHE A 77 8.779 0.927 -11.622 1.00 0.00 C ATOM 0 H PHE A 77 9.315 -6.067 -11.471 1.00 0.00 H new ATOM 0 HA PHE A 77 10.246 -3.395 -10.687 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.367 -3.683 -12.696 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.349 -3.590 -11.273 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.528 -1.873 -12.291 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.487 -1.464 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.785 0.569 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.741 0.980 -10.983 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.892 2.001 -11.610 1.00 0.00 H new TER 1163 PHE A 77 HETATM 1164 MG MG A 101 -11.455 -5.445 -18.764 1.00 0.00 MG