USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 75 LYS NZ :NH3+ -164:sc= -0.0247 (180deg=-0.295) USER MOD Set 1.2: A 79 THR OG1 : rot 77:sc= 0.495 USER MOD Set 2.1: A 26 CYS SG : rot -49:sc= 0.358 USER MOD Set 2.2: A 60 ASN : amide:sc= -5.6! C(o=-5.5!,f=-15!) USER MOD Set 2.3: A 62 THR OG1 : rot 180:sc= -0.216 USER MOD Set 3.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 34 THR OG1 : rot 16:sc= 0.277 USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.0576 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.9!) USER MOD Single : A 5 THR OG1 : rot -170:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 166:sc=-0.000275 (180deg=-0.237) USER MOD Single : A 17 SER OG : rot -72:sc= 0.00473 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00708 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0172 (180deg=-0.341) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -30:sc= 0.244 USER MOD Single : A 41 GLN : amide:sc= -3! C(o=-3!,f=-7.8!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 49 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.1!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1 K(o=-1,f=-2.6!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 72 MET CE :methyl -166:sc= 0 (180deg=-0.0887) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.463 -2.247 -3.360 1.00 0.00 N ATOM 2 CA ALA A 1 -21.444 -1.862 -4.798 1.00 0.00 C ATOM 3 C ALA A 1 -21.576 -3.115 -5.654 1.00 0.00 C ATOM 4 O ALA A 1 -21.148 -4.199 -5.257 1.00 0.00 O ATOM 5 CB ALA A 1 -20.128 -1.149 -5.120 1.00 0.00 C ATOM 0 H1 ALA A 1 -22.407 -2.064 -2.964 1.00 0.00 H new ATOM 0 H2 ALA A 1 -21.239 -3.258 -3.268 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.756 -1.687 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.275 -1.189 -5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.115 -0.867 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.039 -0.254 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.292 -1.817 -4.913 1.00 0.00 H new ATOM 13 N ASP A 2 -22.167 -2.958 -6.832 1.00 0.00 N ATOM 14 CA ASP A 2 -22.348 -4.084 -7.744 1.00 0.00 C ATOM 15 C ASP A 2 -21.080 -4.291 -8.561 1.00 0.00 C ATOM 16 O ASP A 2 -20.140 -3.512 -8.439 1.00 0.00 O ATOM 17 CB ASP A 2 -23.533 -3.809 -8.675 1.00 0.00 C ATOM 18 CG ASP A 2 -23.236 -2.600 -9.555 1.00 0.00 C ATOM 19 OD1 ASP A 2 -22.262 -1.920 -9.283 1.00 0.00 O ATOM 20 OD2 ASP A 2 -23.985 -2.375 -10.491 1.00 0.00 O ATOM 0 H ASP A 2 -22.528 -2.069 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 2 -22.551 -4.987 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -23.728 -4.683 -9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -24.433 -3.629 -8.088 1.00 0.00 H new ATOM 25 N GLN A 3 -21.043 -5.346 -9.370 1.00 0.00 N ATOM 26 CA GLN A 3 -19.864 -5.632 -10.187 1.00 0.00 C ATOM 27 C GLN A 3 -18.673 -6.030 -9.324 1.00 0.00 C ATOM 28 O GLN A 3 -17.871 -6.878 -9.706 1.00 0.00 O ATOM 29 CB GLN A 3 -19.498 -4.415 -11.039 1.00 0.00 C ATOM 30 CG GLN A 3 -18.519 -4.822 -12.140 1.00 0.00 C ATOM 31 CD GLN A 3 -19.221 -5.697 -13.172 1.00 0.00 C ATOM 32 OE1 GLN A 3 -20.443 -5.642 -13.305 1.00 0.00 O ATOM 33 NE2 GLN A 3 -18.518 -6.508 -13.914 1.00 0.00 N ATOM 0 H GLN A 3 -21.807 -6.013 -9.478 1.00 0.00 H new ATOM 0 HA GLN A 3 -20.111 -6.470 -10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -20.398 -3.987 -11.481 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -19.052 -3.643 -10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.113 -3.933 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.677 -5.362 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -17.505 -6.552 -13.803 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -18.981 -7.098 -14.605 1.00 0.00 H new ATOM 42 N LEU A 4 -18.557 -5.404 -8.163 1.00 0.00 N ATOM 43 CA LEU A 4 -17.449 -5.677 -7.231 1.00 0.00 C ATOM 44 C LEU A 4 -17.973 -6.197 -5.896 1.00 0.00 C ATOM 45 O LEU A 4 -19.173 -6.141 -5.632 1.00 0.00 O ATOM 46 CB LEU A 4 -16.637 -4.393 -7.009 1.00 0.00 C ATOM 47 CG LEU A 4 -15.746 -4.123 -8.235 1.00 0.00 C ATOM 48 CD1 LEU A 4 -15.300 -2.657 -8.230 1.00 0.00 C ATOM 49 CD2 LEU A 4 -14.495 -5.031 -8.202 1.00 0.00 C ATOM 0 H LEU A 4 -19.215 -4.698 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.810 -6.445 -7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.309 -3.551 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -16.022 -4.491 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 4 -16.319 -4.336 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.669 -2.466 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.176 -2.010 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.737 -2.451 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.875 -4.828 -9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.923 -4.830 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.804 -6.076 -8.211 1.00 0.00 H new ATOM 61 N THR A 5 -17.068 -6.711 -5.054 1.00 0.00 N ATOM 62 CA THR A 5 -17.460 -7.253 -3.742 1.00 0.00 C ATOM 63 C THR A 5 -16.826 -6.462 -2.612 1.00 0.00 C ATOM 64 O THR A 5 -15.841 -5.772 -2.809 1.00 0.00 O ATOM 65 CB THR A 5 -17.022 -8.713 -3.614 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.605 -8.784 -3.580 1.00 0.00 O ATOM 67 CG2 THR A 5 -17.545 -9.520 -4.800 1.00 0.00 C ATOM 0 H THR A 5 -16.069 -6.764 -5.252 1.00 0.00 H new ATOM 0 HA THR A 5 -18.545 -7.180 -3.672 1.00 0.00 H new ATOM 0 HB THR A 5 -17.429 -9.127 -2.692 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.322 -9.719 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.229 -10.558 -4.701 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.634 -9.473 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.146 -9.106 -5.726 1.00 0.00 H new ATOM 75 N ASP A 6 -17.387 -6.606 -1.421 1.00 0.00 N ATOM 76 CA ASP A 6 -16.860 -5.931 -0.240 1.00 0.00 C ATOM 77 C ASP A 6 -15.602 -6.642 0.224 1.00 0.00 C ATOM 78 O ASP A 6 -14.802 -6.099 0.986 1.00 0.00 O ATOM 79 CB ASP A 6 -17.895 -5.965 0.880 1.00 0.00 C ATOM 80 CG ASP A 6 -19.069 -5.055 0.539 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.920 -4.244 -0.362 1.00 0.00 O ATOM 82 OD2 ASP A 6 -20.098 -5.177 1.184 1.00 0.00 O ATOM 0 H ASP A 6 -18.208 -7.185 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.631 -4.895 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.248 -6.986 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.438 -5.646 1.817 1.00 0.00 H new ATOM 87 N GLU A 7 -15.448 -7.875 -0.243 1.00 0.00 N ATOM 88 CA GLU A 7 -14.302 -8.686 0.123 1.00 0.00 C ATOM 89 C GLU A 7 -13.018 -8.100 -0.437 1.00 0.00 C ATOM 90 O GLU A 7 -12.012 -8.022 0.255 1.00 0.00 O ATOM 91 CB GLU A 7 -14.477 -10.105 -0.423 1.00 0.00 C ATOM 92 CG GLU A 7 -15.666 -10.776 0.262 1.00 0.00 C ATOM 93 CD GLU A 7 -15.344 -11.030 1.730 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.194 -10.861 2.103 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.247 -11.402 2.458 1.00 0.00 O ATOM 0 H GLU A 7 -16.105 -8.332 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.237 -8.706 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.636 -10.073 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.571 -10.686 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.549 -10.143 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.900 -11.717 -0.236 1.00 0.00 H new ATOM 102 N GLN A 8 -13.062 -7.674 -1.690 1.00 0.00 N ATOM 103 CA GLN A 8 -11.890 -7.087 -2.316 1.00 0.00 C ATOM 104 C GLN A 8 -11.551 -5.753 -1.662 1.00 0.00 C ATOM 105 O GLN A 8 -10.381 -5.396 -1.492 1.00 0.00 O ATOM 106 CB GLN A 8 -12.143 -6.895 -3.823 1.00 0.00 C ATOM 107 CG GLN A 8 -12.067 -8.250 -4.539 1.00 0.00 C ATOM 108 CD GLN A 8 -12.449 -8.098 -6.011 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.741 -6.994 -6.470 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.454 -9.151 -6.787 1.00 0.00 N ATOM 0 H GLN A 8 -13.888 -7.723 -2.287 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.044 -7.761 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.122 -6.444 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.405 -6.211 -4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.058 -8.655 -4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.736 -8.962 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.212 -10.066 -6.407 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.700 -9.057 -7.772 1.00 0.00 H new ATOM 119 N ILE A 9 -12.585 -5.046 -1.237 1.00 0.00 N ATOM 120 CA ILE A 9 -12.395 -3.772 -0.571 1.00 0.00 C ATOM 121 C ILE A 9 -11.880 -3.977 0.845 1.00 0.00 C ATOM 122 O ILE A 9 -10.826 -3.458 1.212 1.00 0.00 O ATOM 123 CB ILE A 9 -13.720 -2.999 -0.565 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.923 -2.330 -1.930 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.689 -1.922 0.527 1.00 0.00 C ATOM 126 CD1 ILE A 9 -13.730 -3.356 -3.049 1.00 0.00 C ATOM 0 H ILE A 9 -13.559 -5.332 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.648 -3.192 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.539 -3.690 -0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.923 -1.900 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.215 -1.510 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.633 -1.376 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.543 -2.393 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.870 -1.230 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.876 -2.873 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.721 -3.766 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.455 -4.161 -2.933 1.00 0.00 H new ATOM 138 N SER A 10 -12.637 -4.710 1.643 1.00 0.00 N ATOM 139 CA SER A 10 -12.237 -4.932 3.015 1.00 0.00 C ATOM 140 C SER A 10 -10.847 -5.549 3.051 1.00 0.00 C ATOM 141 O SER A 10 -9.982 -5.094 3.791 1.00 0.00 O ATOM 142 CB SER A 10 -13.227 -5.868 3.692 1.00 0.00 C ATOM 143 OG SER A 10 -12.851 -6.047 5.051 1.00 0.00 O ATOM 0 H SER A 10 -13.514 -5.152 1.369 1.00 0.00 H new ATOM 0 HA SER A 10 -12.222 -3.978 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.234 -5.455 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.246 -6.829 3.178 1.00 0.00 H new ATOM 0 HG SER A 10 -13.488 -6.648 5.490 1.00 0.00 H new ATOM 149 N GLU A 11 -10.618 -6.567 2.222 1.00 0.00 N ATOM 150 CA GLU A 11 -9.306 -7.206 2.176 1.00 0.00 C ATOM 151 C GLU A 11 -8.212 -6.155 2.101 1.00 0.00 C ATOM 152 O GLU A 11 -7.267 -6.168 2.895 1.00 0.00 O ATOM 153 CB GLU A 11 -9.204 -8.127 0.945 1.00 0.00 C ATOM 154 CG GLU A 11 -9.847 -9.487 1.240 1.00 0.00 C ATOM 155 CD GLU A 11 -9.996 -10.278 -0.058 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.557 -9.783 -1.085 1.00 0.00 O ATOM 157 OE2 GLU A 11 -10.545 -11.366 -0.008 1.00 0.00 O ATOM 0 H GLU A 11 -11.310 -6.960 1.585 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.181 -7.797 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.698 -7.661 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.158 -8.264 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.234 -10.044 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.823 -9.346 1.705 1.00 0.00 H new ATOM 164 N PHE A 12 -8.362 -5.224 1.166 1.00 0.00 N ATOM 165 CA PHE A 12 -7.397 -4.149 1.025 1.00 0.00 C ATOM 166 C PHE A 12 -7.365 -3.284 2.279 1.00 0.00 C ATOM 167 O PHE A 12 -6.301 -2.986 2.830 1.00 0.00 O ATOM 168 CB PHE A 12 -7.811 -3.293 -0.202 1.00 0.00 C ATOM 169 CG PHE A 12 -7.605 -4.057 -1.506 1.00 0.00 C ATOM 170 CD1 PHE A 12 -6.456 -4.827 -1.690 1.00 0.00 C ATOM 171 CD2 PHE A 12 -8.558 -3.982 -2.543 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.247 -5.516 -2.865 1.00 0.00 C ATOM 173 CE2 PHE A 12 -8.341 -4.684 -3.739 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.182 -5.450 -3.895 1.00 0.00 C ATOM 0 H PHE A 12 -9.136 -5.194 0.502 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.399 -4.564 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.858 -3.003 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.226 -2.373 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.721 -4.884 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.451 -3.387 -2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.354 -6.110 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.067 -4.633 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.012 -5.991 -4.814 1.00 0.00 H new ATOM 184 N LYS A 13 -8.544 -2.895 2.714 1.00 0.00 N ATOM 185 CA LYS A 13 -8.705 -2.053 3.892 1.00 0.00 C ATOM 186 C LYS A 13 -8.187 -2.741 5.154 1.00 0.00 C ATOM 187 O LYS A 13 -7.444 -2.142 5.931 1.00 0.00 O ATOM 188 CB LYS A 13 -10.192 -1.734 4.034 1.00 0.00 C ATOM 189 CG LYS A 13 -10.399 -0.499 4.911 1.00 0.00 C ATOM 190 CD LYS A 13 -11.887 -0.133 4.906 1.00 0.00 C ATOM 191 CE LYS A 13 -12.129 1.073 5.818 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.497 2.284 5.223 1.00 0.00 N ATOM 0 H LYS A 13 -9.423 -3.151 2.264 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.122 -1.141 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.628 -1.564 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.712 -2.587 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.063 -0.698 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.804 0.334 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.211 0.097 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.481 -0.982 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.199 1.235 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.714 0.883 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.854 3.134 5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.465 2.229 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.731 2.336 4.211 1.00 0.00 H new ATOM 206 N GLU A 14 -8.568 -3.999 5.354 1.00 0.00 N ATOM 207 CA GLU A 14 -8.111 -4.734 6.523 1.00 0.00 C ATOM 208 C GLU A 14 -6.595 -4.855 6.467 1.00 0.00 C ATOM 209 O GLU A 14 -5.910 -4.672 7.466 1.00 0.00 O ATOM 210 CB GLU A 14 -8.746 -6.133 6.548 1.00 0.00 C ATOM 211 CG GLU A 14 -8.318 -6.888 7.812 1.00 0.00 C ATOM 212 CD GLU A 14 -8.995 -8.256 7.850 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.525 -8.659 6.827 1.00 0.00 O ATOM 214 OE2 GLU A 14 -8.973 -8.881 8.898 1.00 0.00 O ATOM 0 H GLU A 14 -9.183 -4.522 4.731 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.406 -4.202 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.832 -6.048 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.445 -6.693 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.235 -7.007 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.587 -6.314 8.699 1.00 0.00 H new ATOM 221 N ALA A 15 -6.088 -5.141 5.272 1.00 0.00 N ATOM 222 CA ALA A 15 -4.651 -5.271 5.055 1.00 0.00 C ATOM 223 C ALA A 15 -3.949 -3.948 5.339 1.00 0.00 C ATOM 224 O ALA A 15 -2.858 -3.910 5.912 1.00 0.00 O ATOM 225 CB ALA A 15 -4.390 -5.675 3.600 1.00 0.00 C ATOM 0 H ALA A 15 -6.653 -5.288 4.436 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.262 -6.033 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.317 -5.772 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.877 -6.628 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.791 -4.912 2.933 1.00 0.00 H new ATOM 231 N PHE A 16 -4.563 -2.860 4.907 1.00 0.00 N ATOM 232 CA PHE A 16 -3.993 -1.540 5.091 1.00 0.00 C ATOM 233 C PHE A 16 -3.998 -1.067 6.556 1.00 0.00 C ATOM 234 O PHE A 16 -2.977 -0.593 7.052 1.00 0.00 O ATOM 235 CB PHE A 16 -4.762 -0.569 4.204 1.00 0.00 C ATOM 236 CG PHE A 16 -4.332 0.843 4.497 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.859 1.514 5.602 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.407 1.477 3.666 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.461 2.825 5.876 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.007 2.785 3.936 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.533 3.461 5.040 1.00 0.00 C ATOM 0 H PHE A 16 -5.461 -2.867 4.424 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.941 -1.580 4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.583 -0.802 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.833 -0.675 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.573 1.020 6.244 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.001 0.954 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.867 3.347 6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.291 3.275 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.224 4.475 5.249 1.00 0.00 H new ATOM 251 N SER A 17 -5.129 -1.200 7.257 1.00 0.00 N ATOM 252 CA SER A 17 -5.176 -0.771 8.662 1.00 0.00 C ATOM 253 C SER A 17 -4.260 -1.667 9.473 1.00 0.00 C ATOM 254 O SER A 17 -3.657 -1.252 10.462 1.00 0.00 O ATOM 255 CB SER A 17 -6.601 -0.835 9.228 1.00 0.00 C ATOM 256 OG SER A 17 -7.069 -2.176 9.197 1.00 0.00 O ATOM 0 H SER A 17 -5.999 -1.588 6.892 1.00 0.00 H new ATOM 0 HA SER A 17 -4.848 0.267 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.613 -0.459 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.263 -0.195 8.645 1.00 0.00 H new ATOM 0 HG SER A 17 -7.253 -2.437 8.270 1.00 0.00 H new ATOM 262 N LEU A 18 -4.150 -2.899 9.007 1.00 0.00 N ATOM 263 CA LEU A 18 -3.294 -3.895 9.621 1.00 0.00 C ATOM 264 C LEU A 18 -1.850 -3.413 9.578 1.00 0.00 C ATOM 265 O LEU A 18 -1.110 -3.544 10.551 1.00 0.00 O ATOM 266 CB LEU A 18 -3.492 -5.192 8.826 1.00 0.00 C ATOM 267 CG LEU A 18 -2.482 -6.278 9.176 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.641 -6.696 10.637 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.760 -7.482 8.265 1.00 0.00 C ATOM 0 H LEU A 18 -4.655 -3.237 8.188 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.541 -4.066 10.669 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.498 -5.570 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.422 -4.971 7.761 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.467 -5.908 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.914 -7.472 10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.475 -5.833 11.282 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.648 -7.081 10.798 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.052 -8.280 8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.776 -7.839 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.650 -7.183 7.223 1.00 0.00 H new ATOM 281 N PHE A 19 -1.464 -2.829 8.446 1.00 0.00 N ATOM 282 CA PHE A 19 -0.108 -2.309 8.296 1.00 0.00 C ATOM 283 C PHE A 19 0.075 -1.029 9.107 1.00 0.00 C ATOM 284 O PHE A 19 1.201 -0.587 9.332 1.00 0.00 O ATOM 285 CB PHE A 19 0.212 -2.013 6.819 1.00 0.00 C ATOM 286 CG PHE A 19 0.274 -3.291 5.986 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.014 -4.406 6.417 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.408 -3.350 4.761 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.062 -5.561 5.633 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.356 -4.510 3.980 1.00 0.00 C ATOM 291 CZ PHE A 19 0.374 -5.616 4.418 1.00 0.00 C ATOM 0 H PHE A 19 -2.062 -2.705 7.629 1.00 0.00 H new ATOM 0 HA PHE A 19 0.574 -3.075 8.665 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.548 -1.348 6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.165 -1.488 6.751 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.546 -4.369 7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.975 -2.497 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.633 -6.415 5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.881 -4.549 3.037 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.407 -6.514 3.818 1.00 0.00 H new ATOM 301 N ASP A 20 -1.033 -0.428 9.539 1.00 0.00 N ATOM 302 CA ASP A 20 -0.962 0.814 10.311 1.00 0.00 C ATOM 303 C ASP A 20 -0.794 0.530 11.805 1.00 0.00 C ATOM 304 O ASP A 20 -1.717 0.750 12.593 1.00 0.00 O ATOM 305 CB ASP A 20 -2.244 1.623 10.089 1.00 0.00 C ATOM 306 CG ASP A 20 -2.026 3.079 10.491 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.902 3.540 10.386 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.987 3.712 10.891 1.00 0.00 O ATOM 0 H ASP A 20 -1.978 -0.774 9.371 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.095 1.380 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.540 1.568 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.058 1.195 10.674 1.00 0.00 H new ATOM 313 N LYS A 21 0.380 0.027 12.190 1.00 0.00 N ATOM 314 CA LYS A 21 0.634 -0.299 13.601 1.00 0.00 C ATOM 315 C LYS A 21 0.048 0.754 14.538 1.00 0.00 C ATOM 316 O LYS A 21 -0.589 0.418 15.536 1.00 0.00 O ATOM 317 CB LYS A 21 2.143 -0.419 13.863 1.00 0.00 C ATOM 318 CG LYS A 21 2.898 0.670 13.100 1.00 0.00 C ATOM 319 CD LYS A 21 4.373 0.675 13.531 1.00 0.00 C ATOM 320 CE LYS A 21 5.068 -0.595 13.030 1.00 0.00 C ATOM 321 NZ LYS A 21 6.543 -0.428 13.106 1.00 0.00 N ATOM 0 H LYS A 21 1.160 -0.162 11.560 1.00 0.00 H new ATOM 0 HA LYS A 21 0.147 -1.253 13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.343 -0.330 14.931 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.497 -1.402 13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.823 0.494 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.448 1.643 13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.875 1.556 13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.443 0.734 14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.759 -1.450 13.631 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.769 -0.802 12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.008 -1.293 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.832 0.377 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.822 -0.251 14.092 1.00 0.00 H new ATOM 335 N ASP A 22 0.277 2.021 14.222 1.00 0.00 N ATOM 336 CA ASP A 22 -0.221 3.111 15.053 1.00 0.00 C ATOM 337 C ASP A 22 -1.722 3.309 14.872 1.00 0.00 C ATOM 338 O ASP A 22 -2.383 3.916 15.717 1.00 0.00 O ATOM 339 CB ASP A 22 0.516 4.400 14.703 1.00 0.00 C ATOM 340 CG ASP A 22 0.440 4.647 13.203 1.00 0.00 C ATOM 341 OD1 ASP A 22 0.033 3.742 12.500 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.796 5.734 12.781 1.00 0.00 O ATOM 0 H ASP A 22 0.802 2.320 13.400 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.039 2.853 16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.076 5.239 15.242 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.557 4.331 15.017 1.00 0.00 H new ATOM 347 N GLY A 23 -2.253 2.804 13.766 1.00 0.00 N ATOM 348 CA GLY A 23 -3.681 2.941 13.484 1.00 0.00 C ATOM 349 C GLY A 23 -4.056 4.409 13.285 1.00 0.00 C ATOM 350 O GLY A 23 -5.174 4.819 13.594 1.00 0.00 O ATOM 0 H GLY A 23 -1.725 2.300 13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.936 2.371 12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.261 2.521 14.306 1.00 0.00 H new ATOM 354 N ASP A 24 -3.108 5.198 12.779 1.00 0.00 N ATOM 355 CA ASP A 24 -3.344 6.623 12.555 1.00 0.00 C ATOM 356 C ASP A 24 -4.086 6.858 11.246 1.00 0.00 C ATOM 357 O ASP A 24 -4.440 7.990 10.918 1.00 0.00 O ATOM 358 CB ASP A 24 -2.013 7.378 12.524 1.00 0.00 C ATOM 359 CG ASP A 24 -1.150 6.884 11.365 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.550 5.932 10.715 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.102 7.467 11.145 1.00 0.00 O ATOM 0 H ASP A 24 -2.176 4.877 12.518 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.958 6.993 13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.196 8.447 12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.484 7.235 13.466 1.00 0.00 H new ATOM 366 N GLY A 25 -4.321 5.786 10.502 1.00 0.00 N ATOM 367 CA GLY A 25 -5.026 5.893 9.228 1.00 0.00 C ATOM 368 C GLY A 25 -4.052 6.134 8.081 1.00 0.00 C ATOM 369 O GLY A 25 -4.468 6.335 6.942 1.00 0.00 O ATOM 0 H GLY A 25 -4.037 4.839 10.754 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.591 4.979 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.747 6.709 9.275 1.00 0.00 H new ATOM 373 N CYS A 26 -2.750 6.104 8.377 1.00 0.00 N ATOM 374 CA CYS A 26 -1.733 6.312 7.340 1.00 0.00 C ATOM 375 C CYS A 26 -0.600 5.302 7.482 1.00 0.00 C ATOM 376 O CYS A 26 -0.271 4.875 8.584 1.00 0.00 O ATOM 377 CB CYS A 26 -1.164 7.738 7.433 1.00 0.00 C ATOM 378 SG CYS A 26 -2.284 8.886 6.593 1.00 0.00 S ATOM 0 H CYS A 26 -2.378 5.940 9.312 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.207 6.173 6.368 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.045 8.027 8.477 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.175 7.778 6.977 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.586 8.417 5.419 1.00 0.00 H new ATOM 384 N ILE A 27 0.020 4.959 6.358 1.00 0.00 N ATOM 385 CA ILE A 27 1.154 4.035 6.351 1.00 0.00 C ATOM 386 C ILE A 27 2.355 4.794 5.833 1.00 0.00 C ATOM 387 O ILE A 27 2.267 5.437 4.784 1.00 0.00 O ATOM 388 CB ILE A 27 0.891 2.835 5.424 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.342 2.067 5.899 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.097 1.883 5.419 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.668 0.961 4.892 1.00 0.00 C ATOM 0 H ILE A 27 -0.243 5.307 5.436 1.00 0.00 H new ATOM 0 HA ILE A 27 1.317 3.655 7.360 1.00 0.00 H new ATOM 0 HB ILE A 27 0.726 3.214 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.159 1.636 6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.190 2.744 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.893 1.041 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.980 2.416 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.275 1.516 6.430 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.547 0.411 5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.868 1.404 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.179 0.279 4.814 1.00 0.00 H new ATOM 403 N THR A 28 3.477 4.726 6.539 1.00 0.00 N ATOM 404 CA THR A 28 4.681 5.413 6.087 1.00 0.00 C ATOM 405 C THR A 28 5.637 4.367 5.514 1.00 0.00 C ATOM 406 O THR A 28 5.428 3.170 5.701 1.00 0.00 O ATOM 407 CB THR A 28 5.315 6.191 7.250 1.00 0.00 C ATOM 408 OG1 THR A 28 6.067 5.310 8.065 1.00 0.00 O ATOM 409 CG2 THR A 28 4.215 6.859 8.091 1.00 0.00 C ATOM 0 H THR A 28 3.579 4.211 7.413 1.00 0.00 H new ATOM 0 HA THR A 28 4.443 6.141 5.311 1.00 0.00 H new ATOM 0 HB THR A 28 5.975 6.958 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.470 5.812 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.670 7.409 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.646 7.547 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.548 6.095 8.490 1.00 0.00 H new ATOM 417 N THR A 29 6.664 4.809 4.805 1.00 0.00 N ATOM 418 CA THR A 29 7.609 3.874 4.204 1.00 0.00 C ATOM 419 C THR A 29 8.213 2.961 5.272 1.00 0.00 C ATOM 420 O THR A 29 8.661 1.855 4.978 1.00 0.00 O ATOM 421 CB THR A 29 8.724 4.649 3.500 1.00 0.00 C ATOM 422 OG1 THR A 29 9.523 5.310 4.469 1.00 0.00 O ATOM 423 CG2 THR A 29 8.102 5.678 2.553 1.00 0.00 C ATOM 0 H THR A 29 6.865 5.794 4.632 1.00 0.00 H new ATOM 0 HA THR A 29 7.077 3.259 3.478 1.00 0.00 H new ATOM 0 HB THR A 29 9.348 3.961 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.239 5.806 4.020 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.893 6.233 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.489 5.166 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.481 6.369 3.123 1.00 0.00 H new ATOM 431 N LYS A 30 8.225 3.444 6.509 1.00 0.00 N ATOM 432 CA LYS A 30 8.772 2.669 7.623 1.00 0.00 C ATOM 433 C LYS A 30 7.906 1.459 7.924 1.00 0.00 C ATOM 434 O LYS A 30 8.390 0.331 7.984 1.00 0.00 O ATOM 435 CB LYS A 30 8.849 3.547 8.877 1.00 0.00 C ATOM 436 CG LYS A 30 9.503 2.769 10.025 1.00 0.00 C ATOM 437 CD LYS A 30 9.669 3.700 11.230 1.00 0.00 C ATOM 438 CE LYS A 30 10.366 2.959 12.377 1.00 0.00 C ATOM 439 NZ LYS A 30 9.526 1.814 12.830 1.00 0.00 N ATOM 0 H LYS A 30 7.865 4.363 6.768 1.00 0.00 H new ATOM 0 HA LYS A 30 9.768 2.329 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.424 4.449 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.849 3.868 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.889 1.910 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.473 2.382 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.252 4.576 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.694 4.060 11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.341 2.598 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.543 3.642 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.857 1.487 13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.534 2.118 12.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.600 1.036 12.144 1.00 0.00 H new ATOM 453 N GLU A 31 6.610 1.705 8.061 1.00 0.00 N ATOM 454 CA GLU A 31 5.652 0.647 8.314 1.00 0.00 C ATOM 455 C GLU A 31 5.575 -0.268 7.110 1.00 0.00 C ATOM 456 O GLU A 31 5.683 -1.490 7.222 1.00 0.00 O ATOM 457 CB GLU A 31 4.285 1.277 8.580 1.00 0.00 C ATOM 458 CG GLU A 31 4.303 1.990 9.930 1.00 0.00 C ATOM 459 CD GLU A 31 2.972 2.692 10.171 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.122 2.619 9.300 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.818 3.285 11.225 1.00 0.00 O ATOM 0 H GLU A 31 6.200 2.637 8.000 1.00 0.00 H new ATOM 0 HA GLU A 31 5.961 0.062 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.039 1.984 7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.512 0.509 8.574 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.493 1.271 10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.116 2.716 9.955 1.00 0.00 H new ATOM 468 N LEU A 32 5.422 0.351 5.948 1.00 0.00 N ATOM 469 CA LEU A 32 5.373 -0.393 4.709 1.00 0.00 C ATOM 470 C LEU A 32 6.703 -1.099 4.546 1.00 0.00 C ATOM 471 O LEU A 32 6.765 -2.273 4.182 1.00 0.00 O ATOM 472 CB LEU A 32 5.093 0.566 3.536 1.00 0.00 C ATOM 473 CG LEU A 32 5.151 -0.185 2.195 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.151 -1.347 2.207 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.804 0.775 1.038 1.00 0.00 C ATOM 0 H LEU A 32 5.331 1.361 5.843 1.00 0.00 H new ATOM 0 HA LEU A 32 4.570 -1.130 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.112 1.024 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.824 1.374 3.538 1.00 0.00 H new ATOM 0 HG LEU A 32 6.159 -0.574 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.196 -1.876 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.401 -2.034 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.144 -0.959 2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.847 0.235 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.799 1.172 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.520 1.597 1.020 1.00 0.00 H new ATOM 487 N GLY A 33 7.770 -0.381 4.864 1.00 0.00 N ATOM 488 CA GLY A 33 9.095 -0.957 4.789 1.00 0.00 C ATOM 489 C GLY A 33 9.238 -2.099 5.788 1.00 0.00 C ATOM 490 O GLY A 33 9.772 -3.149 5.456 1.00 0.00 O ATOM 0 H GLY A 33 7.741 0.591 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.282 -1.323 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.843 -0.191 4.994 1.00 0.00 H new ATOM 494 N THR A 34 8.727 -1.905 7.011 1.00 0.00 N ATOM 495 CA THR A 34 8.799 -2.959 8.026 1.00 0.00 C ATOM 496 C THR A 34 8.308 -4.255 7.407 1.00 0.00 C ATOM 497 O THR A 34 8.900 -5.322 7.561 1.00 0.00 O ATOM 498 CB THR A 34 7.895 -2.592 9.218 1.00 0.00 C ATOM 499 OG1 THR A 34 8.183 -1.271 9.650 1.00 0.00 O ATOM 500 CG2 THR A 34 8.117 -3.563 10.380 1.00 0.00 C ATOM 0 H THR A 34 8.269 -1.046 7.316 1.00 0.00 H new ATOM 0 HA THR A 34 9.825 -3.070 8.376 1.00 0.00 H new ATOM 0 HB THR A 34 6.856 -2.656 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.689 -0.802 8.954 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.470 -3.288 11.213 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.881 -4.577 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.158 -3.517 10.699 1.00 0.00 H new ATOM 508 N VAL A 35 7.191 -4.119 6.729 1.00 0.00 N ATOM 509 CA VAL A 35 6.543 -5.235 6.076 1.00 0.00 C ATOM 510 C VAL A 35 7.365 -5.734 4.888 1.00 0.00 C ATOM 511 O VAL A 35 7.724 -6.907 4.827 1.00 0.00 O ATOM 512 CB VAL A 35 5.158 -4.765 5.633 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.467 -5.831 4.780 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.325 -4.468 6.892 1.00 0.00 C ATOM 0 H VAL A 35 6.705 -3.230 6.614 1.00 0.00 H new ATOM 0 HA VAL A 35 6.454 -6.076 6.764 1.00 0.00 H new ATOM 0 HB VAL A 35 5.254 -3.867 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.483 -5.473 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.068 -6.034 3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.357 -6.747 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.331 -4.130 6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.238 -5.373 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.815 -3.690 7.477 1.00 0.00 H new ATOM 524 N MET A 36 7.681 -4.848 3.953 1.00 0.00 N ATOM 525 CA MET A 36 8.460 -5.254 2.790 1.00 0.00 C ATOM 526 C MET A 36 9.814 -5.796 3.246 1.00 0.00 C ATOM 527 O MET A 36 10.297 -6.812 2.742 1.00 0.00 O ATOM 528 CB MET A 36 8.655 -4.035 1.875 1.00 0.00 C ATOM 529 CG MET A 36 7.370 -3.769 1.082 1.00 0.00 C ATOM 530 SD MET A 36 7.090 -5.114 -0.099 1.00 0.00 S ATOM 531 CE MET A 36 5.425 -4.622 -0.611 1.00 0.00 C ATOM 0 H MET A 36 7.417 -3.863 3.974 1.00 0.00 H new ATOM 0 HA MET A 36 7.937 -6.038 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.913 -3.159 2.471 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.485 -4.211 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.522 -3.687 1.762 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.448 -2.819 0.554 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.049 -5.327 -1.352 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.764 -4.620 0.255 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.458 -3.623 -1.045 1.00 0.00 H new ATOM 541 N ARG A 37 10.390 -5.115 4.230 1.00 0.00 N ATOM 542 CA ARG A 37 11.676 -5.511 4.810 1.00 0.00 C ATOM 543 C ARG A 37 11.598 -6.925 5.346 1.00 0.00 C ATOM 544 O ARG A 37 12.449 -7.770 5.066 1.00 0.00 O ATOM 545 CB ARG A 37 11.975 -4.578 5.992 1.00 0.00 C ATOM 546 CG ARG A 37 13.345 -4.881 6.605 1.00 0.00 C ATOM 547 CD ARG A 37 13.596 -3.907 7.765 1.00 0.00 C ATOM 548 NE ARG A 37 12.645 -4.157 8.846 1.00 0.00 N ATOM 549 CZ ARG A 37 12.898 -5.054 9.798 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.024 -5.713 9.794 1.00 0.00 N ATOM 551 NH2 ARG A 37 12.020 -5.271 10.739 1.00 0.00 N ATOM 0 H ARG A 37 9.985 -4.278 4.649 1.00 0.00 H new ATOM 0 HA ARG A 37 12.449 -5.452 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.945 -3.541 5.657 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.201 -4.690 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.379 -5.910 6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.126 -4.779 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.615 -4.023 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.498 -2.879 7.415 1.00 0.00 H new ATOM 0 HE ARG A 37 11.770 -3.634 8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.712 -5.542 9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.216 -6.399 10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.141 -4.754 10.745 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.213 -5.958 11.468 1.00 0.00 H new ATOM 565 N SER A 38 10.566 -7.150 6.136 1.00 0.00 N ATOM 566 CA SER A 38 10.343 -8.447 6.759 1.00 0.00 C ATOM 567 C SER A 38 9.973 -9.511 5.726 1.00 0.00 C ATOM 568 O SER A 38 10.041 -10.706 6.005 1.00 0.00 O ATOM 569 CB SER A 38 9.216 -8.336 7.787 1.00 0.00 C ATOM 570 OG SER A 38 9.073 -9.576 8.461 1.00 0.00 O ATOM 0 H SER A 38 9.862 -6.448 6.365 1.00 0.00 H new ATOM 0 HA SER A 38 11.272 -8.747 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.437 -7.544 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.282 -8.068 7.293 1.00 0.00 H new ATOM 0 HG SER A 38 9.327 -10.307 7.859 1.00 0.00 H new ATOM 576 N LEU A 39 9.550 -9.069 4.548 1.00 0.00 N ATOM 577 CA LEU A 39 9.133 -9.995 3.487 1.00 0.00 C ATOM 578 C LEU A 39 10.306 -10.365 2.572 1.00 0.00 C ATOM 579 O LEU A 39 10.143 -10.504 1.361 1.00 0.00 O ATOM 580 CB LEU A 39 7.978 -9.355 2.679 1.00 0.00 C ATOM 581 CG LEU A 39 6.590 -9.782 3.224 1.00 0.00 C ATOM 582 CD1 LEU A 39 6.221 -11.174 2.692 1.00 0.00 C ATOM 583 CD2 LEU A 39 6.574 -9.808 4.767 1.00 0.00 C ATOM 0 H LEU A 39 9.485 -8.082 4.298 1.00 0.00 H new ATOM 0 HA LEU A 39 8.784 -10.921 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.065 -8.269 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.062 -9.645 1.632 1.00 0.00 H new ATOM 0 HG LEU A 39 5.861 -9.048 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.245 -11.465 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.186 -11.150 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.970 -11.897 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.587 -10.111 5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.319 -10.517 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.805 -8.814 5.150 1.00 0.00 H new ATOM 595 N GLY A 40 11.483 -10.551 3.151 1.00 0.00 N ATOM 596 CA GLY A 40 12.648 -10.939 2.362 1.00 0.00 C ATOM 597 C GLY A 40 12.946 -9.920 1.276 1.00 0.00 C ATOM 598 O GLY A 40 13.532 -10.249 0.245 1.00 0.00 O ATOM 0 H GLY A 40 11.658 -10.442 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.514 -11.041 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.474 -11.915 1.909 1.00 0.00 H new ATOM 602 N GLN A 41 12.546 -8.677 1.513 1.00 0.00 N ATOM 603 CA GLN A 41 12.779 -7.595 0.556 1.00 0.00 C ATOM 604 C GLN A 41 13.786 -6.608 1.141 1.00 0.00 C ATOM 605 O GLN A 41 13.770 -6.344 2.341 1.00 0.00 O ATOM 606 CB GLN A 41 11.442 -6.880 0.259 1.00 0.00 C ATOM 607 CG GLN A 41 11.366 -6.495 -1.221 1.00 0.00 C ATOM 608 CD GLN A 41 12.486 -5.517 -1.547 1.00 0.00 C ATOM 609 OE1 GLN A 41 13.599 -5.930 -1.870 1.00 0.00 O ATOM 610 NE2 GLN A 41 12.258 -4.236 -1.473 1.00 0.00 N ATOM 0 H GLN A 41 12.057 -8.390 2.361 1.00 0.00 H new ATOM 0 HA GLN A 41 13.180 -8.001 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.607 -7.532 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.352 -5.988 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.452 -7.385 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.399 -6.044 -1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.334 -3.897 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.003 -3.572 -1.683 1.00 0.00 H new ATOM 619 N ASN A 42 14.661 -6.066 0.295 1.00 0.00 N ATOM 620 CA ASN A 42 15.675 -5.107 0.756 1.00 0.00 C ATOM 621 C ASN A 42 15.659 -3.834 -0.085 1.00 0.00 C ATOM 622 O ASN A 42 16.548 -3.625 -0.913 1.00 0.00 O ATOM 623 CB ASN A 42 17.065 -5.743 0.668 1.00 0.00 C ATOM 624 CG ASN A 42 17.104 -7.040 1.469 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.690 -8.088 0.976 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.579 -7.031 2.685 1.00 0.00 N ATOM 0 H ASN A 42 14.692 -6.269 -0.704 1.00 0.00 H new ATOM 0 HA ASN A 42 15.443 -4.846 1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.316 -5.943 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.815 -5.049 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.607 -7.894 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.922 -6.161 3.092 1.00 0.00 H new ATOM 633 N PRO A 43 14.687 -2.974 0.106 1.00 0.00 N ATOM 634 CA PRO A 43 14.594 -1.699 -0.655 1.00 0.00 C ATOM 635 C PRO A 43 15.503 -0.631 -0.066 1.00 0.00 C ATOM 636 O PRO A 43 15.631 -0.518 1.153 1.00 0.00 O ATOM 637 CB PRO A 43 13.129 -1.306 -0.502 1.00 0.00 C ATOM 638 CG PRO A 43 12.753 -1.820 0.850 1.00 0.00 C ATOM 639 CD PRO A 43 13.566 -3.109 1.061 1.00 0.00 C ATOM 0 HA PRO A 43 14.907 -1.806 -1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.997 -0.226 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.513 -1.751 -1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.980 -1.086 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.683 -2.021 0.906 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.922 -3.195 2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.969 -3.998 0.855 1.00 0.00 H new ATOM 647 N THR A 44 16.084 0.188 -0.926 1.00 0.00 N ATOM 648 CA THR A 44 16.926 1.282 -0.459 1.00 0.00 C ATOM 649 C THR A 44 16.048 2.496 -0.239 1.00 0.00 C ATOM 650 O THR A 44 14.868 2.472 -0.565 1.00 0.00 O ATOM 651 CB THR A 44 18.033 1.598 -1.466 1.00 0.00 C ATOM 652 OG1 THR A 44 18.572 2.882 -1.186 1.00 0.00 O ATOM 653 CG2 THR A 44 17.464 1.575 -2.882 1.00 0.00 C ATOM 0 H THR A 44 15.992 0.120 -1.940 1.00 0.00 H new ATOM 0 HA THR A 44 17.411 0.994 0.473 1.00 0.00 H new ATOM 0 HB THR A 44 18.821 0.849 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.283 3.086 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.256 1.801 -3.596 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.055 0.587 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.674 2.321 -2.969 1.00 0.00 H new ATOM 661 N GLU A 45 16.608 3.536 0.333 1.00 0.00 N ATOM 662 CA GLU A 45 15.827 4.733 0.617 1.00 0.00 C ATOM 663 C GLU A 45 15.302 5.388 -0.661 1.00 0.00 C ATOM 664 O GLU A 45 14.161 5.849 -0.697 1.00 0.00 O ATOM 665 CB GLU A 45 16.673 5.726 1.402 1.00 0.00 C ATOM 666 CG GLU A 45 15.789 6.868 1.891 1.00 0.00 C ATOM 667 CD GLU A 45 16.632 7.873 2.665 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.737 7.518 3.040 1.00 0.00 O ATOM 669 OE2 GLU A 45 16.164 8.979 2.866 1.00 0.00 O ATOM 0 H GLU A 45 17.588 3.586 0.611 1.00 0.00 H new ATOM 0 HA GLU A 45 14.964 4.434 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.145 5.229 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.474 6.115 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.309 7.357 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.994 6.479 2.527 1.00 0.00 H new ATOM 676 N ALA A 46 16.114 5.420 -1.713 1.00 0.00 N ATOM 677 CA ALA A 46 15.672 6.018 -2.970 1.00 0.00 C ATOM 678 C ALA A 46 14.466 5.268 -3.487 1.00 0.00 C ATOM 679 O ALA A 46 13.486 5.861 -3.933 1.00 0.00 O ATOM 680 CB ALA A 46 16.784 5.930 -4.016 1.00 0.00 C ATOM 0 H ALA A 46 17.063 5.047 -1.723 1.00 0.00 H new ATOM 0 HA ALA A 46 15.420 7.063 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.443 6.379 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.664 6.464 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.039 4.884 -4.189 1.00 0.00 H new ATOM 686 N GLU A 47 14.570 3.953 -3.443 1.00 0.00 N ATOM 687 CA GLU A 47 13.516 3.087 -3.921 1.00 0.00 C ATOM 688 C GLU A 47 12.195 3.381 -3.204 1.00 0.00 C ATOM 689 O GLU A 47 11.164 3.558 -3.847 1.00 0.00 O ATOM 690 CB GLU A 47 13.943 1.634 -3.698 1.00 0.00 C ATOM 691 CG GLU A 47 12.913 0.687 -4.297 1.00 0.00 C ATOM 692 CD GLU A 47 12.888 0.829 -5.821 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.876 1.284 -6.374 1.00 0.00 O ATOM 694 OE2 GLU A 47 11.875 0.492 -6.407 1.00 0.00 O ATOM 0 H GLU A 47 15.384 3.460 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 47 13.352 3.265 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.917 1.459 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.051 1.438 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.151 -0.341 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.926 0.905 -3.888 1.00 0.00 H new ATOM 701 N LEU A 48 12.227 3.410 -1.874 1.00 0.00 N ATOM 702 CA LEU A 48 11.016 3.660 -1.086 1.00 0.00 C ATOM 703 C LEU A 48 10.451 5.041 -1.374 1.00 0.00 C ATOM 704 O LEU A 48 9.242 5.215 -1.526 1.00 0.00 O ATOM 705 CB LEU A 48 11.364 3.610 0.393 1.00 0.00 C ATOM 706 CG LEU A 48 11.923 2.242 0.748 1.00 0.00 C ATOM 707 CD1 LEU A 48 12.480 2.293 2.176 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.829 1.170 0.637 1.00 0.00 C ATOM 0 H LEU A 48 13.071 3.265 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 48 10.280 2.900 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.095 4.383 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.476 3.816 0.991 1.00 0.00 H new ATOM 0 HG LEU A 48 12.720 1.980 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.885 1.317 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.271 3.041 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.681 2.557 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.246 0.196 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.015 1.409 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.448 1.143 -0.384 1.00 0.00 H new ATOM 720 N GLN A 49 11.343 6.015 -1.459 1.00 0.00 N ATOM 721 CA GLN A 49 10.945 7.391 -1.738 1.00 0.00 C ATOM 722 C GLN A 49 10.342 7.466 -3.130 1.00 0.00 C ATOM 723 O GLN A 49 9.392 8.196 -3.383 1.00 0.00 O ATOM 724 CB GLN A 49 12.160 8.311 -1.658 1.00 0.00 C ATOM 725 CG GLN A 49 12.552 8.531 -0.194 1.00 0.00 C ATOM 726 CD GLN A 49 11.506 9.405 0.484 1.00 0.00 C ATOM 727 OE1 GLN A 49 10.760 10.114 -0.189 1.00 0.00 O ATOM 728 NE2 GLN A 49 11.409 9.406 1.786 1.00 0.00 N ATOM 0 H GLN A 49 12.347 5.881 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 49 10.208 7.710 -1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.995 7.873 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.935 9.267 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.631 7.573 0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.532 9.006 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.028 8.818 2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.714 9.995 2.245 1.00 0.00 H new ATOM 737 N ASP A 50 10.926 6.705 -4.035 1.00 0.00 N ATOM 738 CA ASP A 50 10.468 6.664 -5.402 1.00 0.00 C ATOM 739 C ASP A 50 9.181 5.848 -5.500 1.00 0.00 C ATOM 740 O ASP A 50 8.292 6.154 -6.301 1.00 0.00 O ATOM 741 CB ASP A 50 11.578 6.042 -6.253 1.00 0.00 C ATOM 742 CG ASP A 50 12.619 7.106 -6.613 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.399 8.262 -6.290 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.620 6.749 -7.206 1.00 0.00 O ATOM 0 H ASP A 50 11.726 6.103 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 50 10.248 7.669 -5.763 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.053 5.227 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.155 5.613 -7.161 1.00 0.00 H new ATOM 749 N MET A 51 9.094 4.804 -4.682 1.00 0.00 N ATOM 750 CA MET A 51 7.916 3.950 -4.678 1.00 0.00 C ATOM 751 C MET A 51 6.695 4.743 -4.233 1.00 0.00 C ATOM 752 O MET A 51 5.655 4.747 -4.894 1.00 0.00 O ATOM 753 CB MET A 51 8.141 2.782 -3.710 1.00 0.00 C ATOM 754 CG MET A 51 6.924 1.853 -3.727 1.00 0.00 C ATOM 755 SD MET A 51 7.283 0.371 -2.746 1.00 0.00 S ATOM 756 CE MET A 51 7.787 -0.708 -4.111 1.00 0.00 C ATOM 0 H MET A 51 9.820 4.532 -4.019 1.00 0.00 H new ATOM 0 HA MET A 51 7.747 3.571 -5.686 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.036 2.229 -3.995 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.307 3.160 -2.701 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.053 2.369 -3.322 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.680 1.574 -4.752 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.055 -1.689 -3.719 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.963 -0.812 -4.816 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.647 -0.273 -4.620 1.00 0.00 H new ATOM 766 N ILE A 52 6.854 5.421 -3.105 1.00 0.00 N ATOM 767 CA ILE A 52 5.794 6.232 -2.531 1.00 0.00 C ATOM 768 C ILE A 52 5.476 7.426 -3.438 1.00 0.00 C ATOM 769 O ILE A 52 4.319 7.806 -3.595 1.00 0.00 O ATOM 770 CB ILE A 52 6.245 6.701 -1.117 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.030 6.812 -0.196 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.954 8.068 -1.180 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.399 7.593 1.069 1.00 0.00 C ATOM 0 H ILE A 52 7.719 5.423 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 52 4.880 5.644 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 52 6.946 5.962 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.214 7.312 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.675 5.817 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.257 8.368 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.835 7.992 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.272 8.813 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.527 7.667 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.201 7.075 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.732 8.594 0.794 1.00 0.00 H new ATOM 785 N ASN A 53 6.524 8.012 -4.006 1.00 0.00 N ATOM 786 CA ASN A 53 6.399 9.184 -4.866 1.00 0.00 C ATOM 787 C ASN A 53 5.599 8.899 -6.149 1.00 0.00 C ATOM 788 O ASN A 53 4.956 9.795 -6.689 1.00 0.00 O ATOM 789 CB ASN A 53 7.787 9.713 -5.220 1.00 0.00 C ATOM 790 CG ASN A 53 7.671 10.881 -6.189 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.645 11.560 -6.225 1.00 0.00 O ATOM 792 ND2 ASN A 53 8.670 11.163 -6.979 1.00 0.00 N ATOM 0 H ASN A 53 7.484 7.689 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 53 5.842 9.937 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.305 10.031 -4.315 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.385 8.918 -5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.602 11.947 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.520 10.599 -6.948 1.00 0.00 H new ATOM 799 N GLU A 54 5.660 7.667 -6.659 1.00 0.00 N ATOM 800 CA GLU A 54 4.947 7.312 -7.879 1.00 0.00 C ATOM 801 C GLU A 54 3.462 7.112 -7.591 1.00 0.00 C ATOM 802 O GLU A 54 2.601 7.342 -8.445 1.00 0.00 O ATOM 803 CB GLU A 54 5.565 6.020 -8.432 1.00 0.00 C ATOM 804 CG GLU A 54 4.666 5.407 -9.498 1.00 0.00 C ATOM 805 CD GLU A 54 5.432 4.332 -10.273 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.508 3.218 -9.783 1.00 0.00 O ATOM 807 OE2 GLU A 54 5.940 4.644 -11.339 1.00 0.00 O ATOM 0 H GLU A 54 6.195 6.904 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 54 5.036 8.114 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.547 6.233 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.715 5.307 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.782 4.971 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.318 6.182 -10.182 1.00 0.00 H new ATOM 814 N VAL A 55 3.194 6.672 -6.376 1.00 0.00 N ATOM 815 CA VAL A 55 1.842 6.409 -5.910 1.00 0.00 C ATOM 816 C VAL A 55 1.325 7.577 -5.100 1.00 0.00 C ATOM 817 O VAL A 55 0.179 7.577 -4.649 1.00 0.00 O ATOM 818 CB VAL A 55 1.876 5.164 -5.031 1.00 0.00 C ATOM 819 CG1 VAL A 55 0.538 4.983 -4.293 1.00 0.00 C ATOM 820 CG2 VAL A 55 2.173 3.942 -5.893 1.00 0.00 C ATOM 0 H VAL A 55 3.913 6.485 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 55 1.183 6.262 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 55 2.662 5.279 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.583 4.089 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.349 5.853 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.267 4.879 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.198 3.051 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.395 3.832 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.139 4.068 -6.382 1.00 0.00 H new ATOM 830 N ASP A 56 2.190 8.550 -4.880 1.00 0.00 N ATOM 831 CA ASP A 56 1.843 9.700 -4.090 1.00 0.00 C ATOM 832 C ASP A 56 0.734 10.512 -4.781 1.00 0.00 C ATOM 833 O ASP A 56 0.793 11.738 -4.851 1.00 0.00 O ATOM 834 CB ASP A 56 3.118 10.535 -3.893 1.00 0.00 C ATOM 835 CG ASP A 56 3.866 10.142 -2.605 1.00 0.00 C ATOM 836 OD1 ASP A 56 3.414 9.238 -1.920 1.00 0.00 O ATOM 837 OD2 ASP A 56 4.896 10.744 -2.336 1.00 0.00 O ATOM 0 H ASP A 56 3.143 8.559 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 56 1.452 9.397 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.777 10.401 -4.751 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.857 11.593 -3.854 1.00 0.00 H new ATOM 842 N ALA A 57 -0.286 9.808 -5.277 1.00 0.00 N ATOM 843 CA ALA A 57 -1.411 10.457 -5.948 1.00 0.00 C ATOM 844 C ALA A 57 -1.886 11.660 -5.140 1.00 0.00 C ATOM 845 O ALA A 57 -2.275 12.685 -5.701 1.00 0.00 O ATOM 846 CB ALA A 57 -2.570 9.463 -6.082 1.00 0.00 C ATOM 0 H ALA A 57 -0.355 8.792 -5.226 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.085 10.789 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.409 9.947 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.246 8.603 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.881 9.131 -5.091 1.00 0.00 H new ATOM 852 N ASP A 58 -1.860 11.510 -3.819 1.00 0.00 N ATOM 853 CA ASP A 58 -2.290 12.573 -2.908 1.00 0.00 C ATOM 854 C ASP A 58 -1.222 13.653 -2.768 1.00 0.00 C ATOM 855 O ASP A 58 -1.527 14.845 -2.781 1.00 0.00 O ATOM 856 CB ASP A 58 -2.599 11.977 -1.538 1.00 0.00 C ATOM 857 CG ASP A 58 -1.439 11.101 -1.077 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.485 10.969 -1.829 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.526 10.563 0.013 1.00 0.00 O ATOM 0 H ASP A 58 -1.545 10.660 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.185 13.035 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.772 12.775 -0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.514 11.387 -1.587 1.00 0.00 H new ATOM 864 N GLY A 59 0.034 13.233 -2.633 1.00 0.00 N ATOM 865 CA GLY A 59 1.137 14.183 -2.490 1.00 0.00 C ATOM 866 C GLY A 59 1.405 14.514 -1.025 1.00 0.00 C ATOM 867 O GLY A 59 2.067 15.504 -0.716 1.00 0.00 O ATOM 0 H GLY A 59 0.313 12.252 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.038 13.766 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.903 15.098 -3.034 1.00 0.00 H new ATOM 871 N ASN A 60 0.885 13.682 -0.124 1.00 0.00 N ATOM 872 CA ASN A 60 1.074 13.898 1.311 1.00 0.00 C ATOM 873 C ASN A 60 2.276 13.106 1.834 1.00 0.00 C ATOM 874 O ASN A 60 2.609 13.188 3.014 1.00 0.00 O ATOM 875 CB ASN A 60 -0.186 13.477 2.069 1.00 0.00 C ATOM 876 CG ASN A 60 -0.371 11.972 1.974 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.343 11.314 1.222 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.290 11.389 2.700 1.00 0.00 N ATOM 0 H ASN A 60 0.333 12.857 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 60 1.264 14.959 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.109 13.777 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.057 13.986 1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.419 10.379 2.645 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.878 11.945 3.321 1.00 0.00 H new ATOM 885 N GLY A 61 2.925 12.340 0.959 1.00 0.00 N ATOM 886 CA GLY A 61 4.089 11.556 1.365 1.00 0.00 C ATOM 887 C GLY A 61 3.690 10.376 2.243 1.00 0.00 C ATOM 888 O GLY A 61 4.537 9.614 2.699 1.00 0.00 O ATOM 0 H GLY A 61 2.669 12.246 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.610 11.192 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.788 12.194 1.907 1.00 0.00 H new ATOM 892 N THR A 62 2.392 10.212 2.462 1.00 0.00 N ATOM 893 CA THR A 62 1.888 9.094 3.261 1.00 0.00 C ATOM 894 C THR A 62 0.710 8.455 2.547 1.00 0.00 C ATOM 895 O THR A 62 0.014 9.103 1.775 1.00 0.00 O ATOM 896 CB THR A 62 1.508 9.559 4.674 1.00 0.00 C ATOM 897 OG1 THR A 62 0.644 10.686 4.606 1.00 0.00 O ATOM 898 CG2 THR A 62 2.787 9.928 5.425 1.00 0.00 C ATOM 0 H THR A 62 1.669 10.834 2.101 1.00 0.00 H new ATOM 0 HA THR A 62 2.674 8.347 3.372 1.00 0.00 H new ATOM 0 HB THR A 62 0.986 8.758 5.197 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.407 10.972 5.513 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.535 10.261 6.432 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.439 9.056 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.301 10.730 4.896 1.00 0.00 H new ATOM 906 N ILE A 63 0.519 7.166 2.761 1.00 0.00 N ATOM 907 CA ILE A 63 -0.546 6.443 2.076 1.00 0.00 C ATOM 908 C ILE A 63 -1.836 6.437 2.872 1.00 0.00 C ATOM 909 O ILE A 63 -1.840 6.121 4.061 1.00 0.00 O ATOM 910 CB ILE A 63 -0.100 5.002 1.841 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.364 4.991 1.405 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.955 4.360 0.751 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.562 5.948 0.221 1.00 0.00 C ATOM 0 H ILE A 63 1.080 6.599 3.397 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.739 6.951 1.131 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.216 4.437 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.003 5.290 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.661 3.981 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.629 3.332 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.001 4.365 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.847 4.924 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.608 5.936 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.936 5.630 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.283 6.959 0.519 1.00 0.00 H new ATOM 925 N ASP A 64 -2.934 6.733 2.189 1.00 0.00 N ATOM 926 CA ASP A 64 -4.256 6.691 2.795 1.00 0.00 C ATOM 927 C ASP A 64 -4.876 5.385 2.334 1.00 0.00 C ATOM 928 O ASP A 64 -4.188 4.594 1.696 1.00 0.00 O ATOM 929 CB ASP A 64 -5.093 7.886 2.339 1.00 0.00 C ATOM 930 CG ASP A 64 -4.564 9.179 2.956 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.804 9.094 3.909 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.924 10.238 2.465 1.00 0.00 O ATOM 0 H ASP A 64 -2.933 7.007 1.206 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.205 6.744 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.070 7.959 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.134 7.739 2.627 1.00 0.00 H new ATOM 937 N PHE A 65 -6.146 5.119 2.595 1.00 0.00 N ATOM 938 CA PHE A 65 -6.697 3.859 2.111 1.00 0.00 C ATOM 939 C PHE A 65 -7.002 3.914 0.597 1.00 0.00 C ATOM 940 O PHE A 65 -6.653 2.979 -0.124 1.00 0.00 O ATOM 941 CB PHE A 65 -7.934 3.429 2.908 1.00 0.00 C ATOM 942 CG PHE A 65 -8.570 2.318 2.128 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.000 1.048 2.151 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.678 2.582 1.324 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.546 0.029 1.376 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.223 1.564 0.539 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.658 0.283 0.565 1.00 0.00 C ATOM 0 H PHE A 65 -6.788 5.721 3.111 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.930 3.101 2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.656 3.093 3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.626 4.262 3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.136 0.854 2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.113 3.570 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.111 -0.959 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.079 1.764 -0.088 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.079 -0.507 -0.039 1.00 0.00 H new ATOM 957 N PRO A 66 -7.654 4.936 0.084 1.00 0.00 N ATOM 958 CA PRO A 66 -7.982 5.009 -1.383 1.00 0.00 C ATOM 959 C PRO A 66 -6.725 5.009 -2.249 1.00 0.00 C ATOM 960 O PRO A 66 -6.692 4.386 -3.311 1.00 0.00 O ATOM 961 CB PRO A 66 -8.761 6.327 -1.512 1.00 0.00 C ATOM 962 CG PRO A 66 -9.264 6.602 -0.138 1.00 0.00 C ATOM 963 CD PRO A 66 -8.151 6.130 0.789 1.00 0.00 C ATOM 0 HA PRO A 66 -8.552 4.146 -1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.120 7.133 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.582 6.234 -2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.471 7.663 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.194 6.067 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.374 6.885 0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.523 5.891 1.785 1.00 0.00 H new ATOM 971 N GLU A 67 -5.681 5.687 -1.776 1.00 0.00 N ATOM 972 CA GLU A 67 -4.426 5.726 -2.504 1.00 0.00 C ATOM 973 C GLU A 67 -3.871 4.316 -2.551 1.00 0.00 C ATOM 974 O GLU A 67 -3.269 3.874 -3.541 1.00 0.00 O ATOM 975 CB GLU A 67 -3.433 6.648 -1.787 1.00 0.00 C ATOM 976 CG GLU A 67 -2.126 6.720 -2.578 1.00 0.00 C ATOM 977 CD GLU A 67 -1.156 7.674 -1.893 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.590 8.401 -1.015 1.00 0.00 O ATOM 979 OE2 GLU A 67 0.010 7.668 -2.261 1.00 0.00 O ATOM 0 H GLU A 67 -5.684 6.210 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.586 6.108 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.860 7.645 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.239 6.276 -0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.681 5.728 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.325 7.058 -3.595 1.00 0.00 H new ATOM 986 N PHE A 68 -4.104 3.618 -1.454 1.00 0.00 N ATOM 987 CA PHE A 68 -3.660 2.249 -1.324 1.00 0.00 C ATOM 988 C PHE A 68 -4.575 1.314 -2.126 1.00 0.00 C ATOM 989 O PHE A 68 -4.149 0.236 -2.535 1.00 0.00 O ATOM 990 CB PHE A 68 -3.616 1.869 0.157 1.00 0.00 C ATOM 991 CG PHE A 68 -3.423 0.388 0.352 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.132 -0.164 0.421 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.540 -0.425 0.530 1.00 0.00 C ATOM 994 CE1 PHE A 68 -1.976 -1.533 0.675 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.380 -1.789 0.765 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.104 -2.343 0.844 1.00 0.00 C ATOM 0 H PHE A 68 -4.600 3.981 -0.640 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.655 2.146 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.805 2.408 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.542 2.181 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.265 0.464 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.531 0.002 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.987 -1.962 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.249 -2.419 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.986 -3.399 1.036 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.821 1.744 -2.393 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.752 0.931 -3.190 1.00 0.00 C ATOM 1008 C LEU A 69 -6.426 1.044 -4.684 1.00 0.00 C ATOM 1009 O LEU A 69 -6.593 0.094 -5.446 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.203 1.359 -2.913 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.188 0.565 -3.783 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -8.939 -0.943 -3.638 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -10.620 0.866 -3.331 1.00 0.00 C ATOM 0 H LEU A 69 -6.201 2.635 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.639 -0.113 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.437 1.204 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.315 2.425 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.045 0.857 -4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.646 -1.490 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.922 -1.176 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.072 -1.235 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.322 0.304 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.741 0.576 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.818 1.933 -3.437 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.937 2.215 -5.086 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.551 2.461 -6.476 1.00 0.00 C ATOM 1027 C ASN A 70 -4.324 1.623 -6.795 1.00 0.00 C ATOM 1028 O ASN A 70 -4.204 0.994 -7.850 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.213 3.943 -6.614 1.00 0.00 C ATOM 1030 CG ASN A 70 -4.805 4.302 -8.036 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.422 3.850 -9.002 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -3.801 5.115 -8.213 1.00 0.00 N ATOM 0 H ASN A 70 -5.798 3.013 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.357 2.196 -7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.076 4.541 -6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.404 4.196 -5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.521 5.382 -9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.296 5.484 -7.408 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.439 1.631 -5.818 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.185 0.898 -5.838 1.00 0.00 C ATOM 1041 C LEU A 71 -2.448 -0.608 -5.905 1.00 0.00 C ATOM 1042 O LEU A 71 -1.803 -1.340 -6.664 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.483 1.315 -4.539 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.393 0.355 -4.082 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.688 0.244 -5.144 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.219 0.928 -2.797 1.00 0.00 C ATOM 0 H LEU A 71 -3.576 2.165 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.569 1.120 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.046 2.304 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.228 1.403 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.813 -0.636 -3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.461 -0.445 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.251 -0.128 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.128 1.226 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.006 0.263 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.641 1.912 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.554 1.016 -2.034 1.00 0.00 H new ATOM 1058 N MET A 72 -3.438 -1.037 -5.134 1.00 0.00 N ATOM 1059 CA MET A 72 -3.853 -2.434 -5.093 1.00 0.00 C ATOM 1060 C MET A 72 -4.771 -2.766 -6.274 1.00 0.00 C ATOM 1061 O MET A 72 -4.903 -3.928 -6.660 1.00 0.00 O ATOM 1062 CB MET A 72 -4.599 -2.688 -3.767 1.00 0.00 C ATOM 1063 CG MET A 72 -3.652 -3.227 -2.689 1.00 0.00 C ATOM 1064 SD MET A 72 -2.992 -4.836 -3.191 1.00 0.00 S ATOM 1065 CE MET A 72 -2.787 -5.512 -1.532 1.00 0.00 C ATOM 0 H MET A 72 -3.977 -0.427 -4.519 1.00 0.00 H new ATOM 0 HA MET A 72 -2.971 -3.071 -5.160 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.057 -1.761 -3.421 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.407 -3.400 -3.933 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.835 -2.524 -2.527 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.183 -3.322 -1.742 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.162 -6.404 -1.577 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.312 -4.768 -0.892 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.763 -5.773 -1.122 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.406 -1.745 -6.839 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.313 -1.951 -7.968 1.00 0.00 C ATOM 1077 C ALA A 73 -5.514 -2.060 -9.257 1.00 0.00 C ATOM 1078 O ALA A 73 -5.836 -2.855 -10.140 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.304 -0.791 -8.077 1.00 0.00 C ATOM 0 H ALA A 73 -5.313 -0.774 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.868 -2.874 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.971 -0.961 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.890 -0.725 -7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.758 0.141 -8.227 1.00 0.00 H new ATOM 1085 N ARG A 74 -4.457 -1.261 -9.346 1.00 0.00 N ATOM 1086 CA ARG A 74 -3.592 -1.278 -10.510 1.00 0.00 C ATOM 1087 C ARG A 74 -2.800 -2.576 -10.524 1.00 0.00 C ATOM 1088 O ARG A 74 -2.638 -3.218 -11.558 1.00 0.00 O ATOM 1089 CB ARG A 74 -2.637 -0.088 -10.447 1.00 0.00 C ATOM 1090 CG ARG A 74 -1.779 -0.032 -11.714 1.00 0.00 C ATOM 1091 CD ARG A 74 -2.665 0.220 -12.946 1.00 0.00 C ATOM 1092 NE ARG A 74 -1.906 0.939 -13.959 1.00 0.00 N ATOM 1093 CZ ARG A 74 -2.487 1.383 -15.068 1.00 0.00 C ATOM 1094 NH1 ARG A 74 -3.760 1.177 -15.268 1.00 0.00 N ATOM 1095 NH2 ARG A 74 -1.782 2.029 -15.955 1.00 0.00 N ATOM 0 H ARG A 74 -4.182 -0.595 -8.624 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.190 -1.210 -11.418 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.203 0.837 -10.341 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.997 -0.172 -9.569 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.036 0.760 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.234 -0.968 -11.834 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.021 -0.728 -13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.545 0.796 -12.661 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.910 1.105 -13.815 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.311 0.674 -14.572 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.204 1.519 -16.120 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.788 2.192 -15.796 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.225 2.371 -16.808 1.00 0.00 H new ATOM 1109 N LYS A 75 -2.309 -2.954 -9.351 1.00 0.00 N ATOM 1110 CA LYS A 75 -1.541 -4.179 -9.208 1.00 0.00 C ATOM 1111 C LYS A 75 -2.421 -5.395 -9.484 1.00 0.00 C ATOM 1112 O LYS A 75 -2.041 -6.307 -10.218 1.00 0.00 O ATOM 1113 CB LYS A 75 -0.985 -4.263 -7.784 1.00 0.00 C ATOM 1114 CG LYS A 75 -0.096 -5.505 -7.649 1.00 0.00 C ATOM 1115 CD LYS A 75 0.505 -5.573 -6.238 1.00 0.00 C ATOM 1116 CE LYS A 75 1.418 -6.803 -6.122 1.00 0.00 C ATOM 1117 NZ LYS A 75 0.604 -8.048 -6.223 1.00 0.00 N ATOM 0 H LYS A 75 -2.430 -2.428 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.722 -4.170 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.410 -3.366 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.804 -4.310 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.680 -6.403 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.702 -5.473 -8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.073 -4.666 -6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.291 -5.628 -5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.170 -6.785 -6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.952 -6.783 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.161 -8.856 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.255 -7.949 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.337 -8.208 -7.215 1.00 0.00 H new ATOM 1131 N MET A 76 -3.597 -5.394 -8.873 1.00 0.00 N ATOM 1132 CA MET A 76 -4.551 -6.488 -9.021 1.00 0.00 C ATOM 1133 C MET A 76 -5.067 -6.592 -10.458 1.00 0.00 C ATOM 1134 O MET A 76 -5.936 -7.409 -10.761 1.00 0.00 O ATOM 1135 CB MET A 76 -5.715 -6.253 -8.055 1.00 0.00 C ATOM 1136 CG MET A 76 -6.754 -7.385 -8.175 1.00 0.00 C ATOM 1137 SD MET A 76 -8.099 -6.859 -9.278 1.00 0.00 S ATOM 1138 CE MET A 76 -9.480 -7.409 -8.254 1.00 0.00 C ATOM 0 H MET A 76 -3.917 -4.641 -8.264 1.00 0.00 H new ATOM 0 HA MET A 76 -4.051 -7.428 -8.789 1.00 0.00 H new ATOM 0 HB2 MET A 76 -5.342 -6.201 -7.032 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.187 -5.294 -8.271 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.282 -8.287 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.152 -7.633 -7.191 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.420 -7.178 -8.756 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.409 -8.485 -8.095 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.446 -6.897 -7.292 1.00 0.00 H new ATOM 1148 N LYS A 77 -4.514 -5.767 -11.336 1.00 0.00 N ATOM 1149 CA LYS A 77 -4.904 -5.763 -12.746 1.00 0.00 C ATOM 1150 C LYS A 77 -4.553 -7.084 -13.419 1.00 0.00 C ATOM 1151 O LYS A 77 -5.283 -7.559 -14.288 1.00 0.00 O ATOM 1152 CB LYS A 77 -4.186 -4.621 -13.458 1.00 0.00 C ATOM 1153 CG LYS A 77 -4.639 -4.521 -14.915 1.00 0.00 C ATOM 1154 CD LYS A 77 -3.941 -3.317 -15.550 1.00 0.00 C ATOM 1155 CE LYS A 77 -4.371 -3.161 -17.008 1.00 0.00 C ATOM 1156 NZ LYS A 77 -3.675 -1.981 -17.595 1.00 0.00 N ATOM 0 H LYS A 77 -3.791 -5.088 -11.099 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.984 -5.628 -12.808 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.388 -3.681 -12.944 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.109 -4.781 -13.417 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.388 -5.434 -15.455 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.721 -4.405 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.184 -2.412 -14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.860 -3.444 -15.494 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.126 -4.061 -17.571 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.451 -3.030 -17.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.962 -1.867 -18.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.930 -1.126 -17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.646 -2.125 -17.546 1.00 0.00 H new ATOM 1170 N ASP A 78 -3.423 -7.665 -13.024 1.00 0.00 N ATOM 1171 CA ASP A 78 -2.970 -8.929 -13.608 1.00 0.00 C ATOM 1172 C ASP A 78 -2.327 -9.814 -12.547 1.00 0.00 C ATOM 1173 O ASP A 78 -2.976 -10.690 -11.973 1.00 0.00 O ATOM 1174 CB ASP A 78 -1.953 -8.643 -14.712 1.00 0.00 C ATOM 1175 CG ASP A 78 -1.422 -9.954 -15.277 1.00 0.00 C ATOM 1176 OD1 ASP A 78 -1.996 -10.986 -14.964 1.00 0.00 O ATOM 1177 OD2 ASP A 78 -0.450 -9.910 -16.012 1.00 0.00 O ATOM 0 H ASP A 78 -2.806 -7.285 -12.306 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.833 -9.450 -14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.418 -8.057 -15.505 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.130 -8.047 -14.316 1.00 0.00 H new ATOM 1182 N THR A 79 -1.044 -9.580 -12.296 1.00 0.00 N ATOM 1183 CA THR A 79 -0.307 -10.359 -11.307 1.00 0.00 C ATOM 1184 C THR A 79 -0.473 -11.853 -11.567 1.00 0.00 C ATOM 1185 O THR A 79 0.295 -12.387 -12.351 1.00 0.00 O ATOM 1186 CB THR A 79 -0.809 -10.023 -9.903 1.00 0.00 C ATOM 1187 OG1 THR A 79 -0.856 -8.612 -9.748 1.00 0.00 O ATOM 1188 CG2 THR A 79 0.136 -10.621 -8.861 1.00 0.00 C ATOM 1189 OXT THR A 79 -1.365 -12.443 -10.979 1.00 0.00 O ATOM 0 H THR A 79 -0.493 -8.859 -12.762 1.00 0.00 H new ATOM 0 HA THR A 79 0.750 -10.106 -11.386 1.00 0.00 H new ATOM 0 HB THR A 79 -1.806 -10.440 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.641 -8.258 -10.216 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.225 -10.379 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.173 -11.704 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.135 -10.207 -8.996 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 1.244 5.375 10.226 1.00 0.00 CA HETATM 1199 CA CA A 192 1.469 9.405 -0.619 1.00 0.00 CA