USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 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 60 ASN : amide:sc= -4.13! C(o=-4.1!,f=-19!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -110:sc= -1.29! (180deg=-3.52!) USER MOD Set 2.2: A 34 THR OG1 : rot 17:sc= 0.529 USER MOD Set 3.1: A 5 THR OG1 : rot -43:sc= -0.294 USER MOD Set 3.2: A 8 GLN : amide:sc= 0.0406 K(o=-0.25,f=-1) USER MOD Single : A 10 SER OG : rot 31:sc= 0.818 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0283 (180deg=-0.284) USER MOD Single : A 17 SER OG : rot 74:sc= 0.134 USER MOD Single : A 26 CYS SG : rot 62:sc= -1.12 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0465 (180deg=-0.445) USER MOD Single : A 36 MET CE :methyl -171:sc=-0.00821 (180deg=-0.168) USER MOD Single : A 38 SER OG : rot -22:sc= 0.364 USER MOD Single : A 41 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.4) USER MOD Single : A 42 ASN :FLIP amide:sc= -1.22 F(o=-2.1,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.98!) USER MOD Single : A 70 ASN :FLIP amide:sc=-0.00925 F(o=-0.86,f=-0.0093) USER MOD Single : A 72 MET CE :methyl -113:sc= -0.0118 (180deg=-0.112) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -14.926 -5.736 -5.440 1.00 0.00 N ATOM 62 CA THR A 5 -15.976 -6.317 -4.591 1.00 0.00 C ATOM 63 C THR A 5 -15.812 -5.892 -3.136 1.00 0.00 C ATOM 64 O THR A 5 -14.910 -5.137 -2.794 1.00 0.00 O ATOM 65 CB THR A 5 -15.933 -7.845 -4.665 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.595 -8.284 -4.493 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.457 -8.312 -6.019 1.00 0.00 C ATOM 0 HA THR A 5 -16.934 -5.951 -4.961 1.00 0.00 H new ATOM 0 HB THR A 5 -16.559 -8.265 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.993 -7.708 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.424 -9.400 -6.066 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.485 -7.974 -6.147 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.837 -7.896 -6.813 1.00 0.00 H new ATOM 75 N ASP A 6 -16.678 -6.426 -2.283 1.00 0.00 N ATOM 76 CA ASP A 6 -16.616 -6.137 -0.855 1.00 0.00 C ATOM 77 C ASP A 6 -15.425 -6.856 -0.232 1.00 0.00 C ATOM 78 O ASP A 6 -14.700 -6.302 0.593 1.00 0.00 O ATOM 79 CB ASP A 6 -17.899 -6.609 -0.175 1.00 0.00 C ATOM 80 CG ASP A 6 -19.080 -5.773 -0.652 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.843 -4.723 -1.227 1.00 0.00 O ATOM 82 OD2 ASP A 6 -20.204 -6.195 -0.436 1.00 0.00 O ATOM 0 H ASP A 6 -17.430 -7.060 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.505 -5.061 -0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.073 -7.661 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.798 -6.527 0.907 1.00 0.00 H new ATOM 87 N GLU A 7 -15.252 -8.109 -0.640 1.00 0.00 N ATOM 88 CA GLU A 7 -14.167 -8.943 -0.136 1.00 0.00 C ATOM 89 C GLU A 7 -12.809 -8.342 -0.486 1.00 0.00 C ATOM 90 O GLU A 7 -11.914 -8.277 0.355 1.00 0.00 O ATOM 91 CB GLU A 7 -14.277 -10.353 -0.737 1.00 0.00 C ATOM 92 CG GLU A 7 -14.636 -10.260 -2.224 1.00 0.00 C ATOM 93 CD GLU A 7 -14.683 -11.652 -2.840 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.183 -12.551 -2.185 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.218 -11.797 -3.957 1.00 0.00 O ATOM 0 H GLU A 7 -15.853 -8.571 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.251 -8.997 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.333 -10.885 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.037 -10.926 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.602 -9.769 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.901 -9.648 -2.746 1.00 0.00 H new ATOM 102 N GLN A 8 -12.668 -7.892 -1.722 1.00 0.00 N ATOM 103 CA GLN A 8 -11.419 -7.291 -2.159 1.00 0.00 C ATOM 104 C GLN A 8 -11.222 -5.946 -1.475 1.00 0.00 C ATOM 105 O GLN A 8 -10.099 -5.483 -1.277 1.00 0.00 O ATOM 106 CB GLN A 8 -11.419 -7.118 -3.687 1.00 0.00 C ATOM 107 CG GLN A 8 -11.255 -8.485 -4.363 1.00 0.00 C ATOM 108 CD GLN A 8 -11.329 -8.340 -5.882 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.174 -7.607 -6.398 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.494 -9.007 -6.634 1.00 0.00 N ATOM 0 H GLN A 8 -13.396 -7.931 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.595 -7.949 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.350 -6.652 -4.010 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.609 -6.454 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.299 -8.926 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.034 -9.164 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.795 -9.614 -6.206 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.541 -8.921 -7.649 1.00 0.00 H new ATOM 119 N ILE A 9 -12.328 -5.343 -1.069 1.00 0.00 N ATOM 120 CA ILE A 9 -12.269 -4.065 -0.369 1.00 0.00 C ATOM 121 C ILE A 9 -12.001 -4.288 1.113 1.00 0.00 C ATOM 122 O ILE A 9 -11.039 -3.755 1.665 1.00 0.00 O ATOM 123 CB ILE A 9 -13.583 -3.302 -0.576 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.617 -2.750 -2.007 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.682 -2.140 0.419 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.035 -2.292 -2.357 1.00 0.00 C ATOM 0 H ILE A 9 -13.269 -5.711 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.451 -3.470 -0.775 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.422 -3.978 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.923 -1.915 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.290 -3.517 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.619 -1.606 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.652 -2.529 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.846 -1.458 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.050 -1.901 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.719 -3.137 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.347 -1.511 -1.664 1.00 0.00 H new ATOM 138 N SER A 10 -12.854 -5.074 1.751 1.00 0.00 N ATOM 139 CA SER A 10 -12.697 -5.341 3.170 1.00 0.00 C ATOM 140 C SER A 10 -11.332 -5.969 3.428 1.00 0.00 C ATOM 141 O SER A 10 -10.642 -5.596 4.378 1.00 0.00 O ATOM 142 CB SER A 10 -13.802 -6.275 3.660 1.00 0.00 C ATOM 143 OG SER A 10 -13.455 -6.786 4.937 1.00 0.00 O ATOM 0 H SER A 10 -13.653 -5.533 1.314 1.00 0.00 H new ATOM 0 HA SER A 10 -12.769 -4.400 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.749 -5.738 3.716 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.941 -7.094 2.954 1.00 0.00 H new ATOM 0 HG SER A 10 -12.916 -6.124 5.419 1.00 0.00 H new ATOM 149 N GLU A 11 -10.935 -6.907 2.569 1.00 0.00 N ATOM 150 CA GLU A 11 -9.639 -7.552 2.718 1.00 0.00 C ATOM 151 C GLU A 11 -8.535 -6.519 2.540 1.00 0.00 C ATOM 152 O GLU A 11 -7.543 -6.529 3.271 1.00 0.00 O ATOM 153 CB GLU A 11 -9.484 -8.671 1.679 1.00 0.00 C ATOM 154 CG GLU A 11 -8.155 -9.415 1.883 1.00 0.00 C ATOM 155 CD GLU A 11 -8.197 -10.227 3.172 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.255 -10.303 3.771 1.00 0.00 O ATOM 157 OE2 GLU A 11 -7.165 -10.766 3.542 1.00 0.00 O ATOM 0 H GLU A 11 -11.486 -7.231 1.774 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.567 -7.988 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.316 -9.371 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.521 -8.250 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.965 -10.074 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.333 -8.701 1.922 1.00 0.00 H new ATOM 164 N PHE A 12 -8.721 -5.609 1.583 1.00 0.00 N ATOM 165 CA PHE A 12 -7.749 -4.552 1.346 1.00 0.00 C ATOM 166 C PHE A 12 -7.665 -3.642 2.567 1.00 0.00 C ATOM 167 O PHE A 12 -6.584 -3.279 3.032 1.00 0.00 O ATOM 168 CB PHE A 12 -8.201 -3.750 0.105 1.00 0.00 C ATOM 169 CG PHE A 12 -7.665 -4.394 -1.162 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.538 -5.792 -1.257 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.294 -3.590 -2.248 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.042 -6.372 -2.429 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.803 -4.174 -3.416 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.677 -5.565 -3.508 1.00 0.00 C ATOM 0 H PHE A 12 -9.532 -5.586 0.965 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.761 -4.977 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.290 -3.708 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.845 -2.723 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.824 -6.418 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.388 -2.516 -2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.941 -7.445 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.519 -3.551 -4.251 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.297 -6.014 -4.414 1.00 0.00 H new ATOM 184 N LYS A 13 -8.834 -3.281 3.071 1.00 0.00 N ATOM 185 CA LYS A 13 -8.948 -2.404 4.229 1.00 0.00 C ATOM 186 C LYS A 13 -8.286 -3.011 5.466 1.00 0.00 C ATOM 187 O LYS A 13 -7.521 -2.339 6.160 1.00 0.00 O ATOM 188 CB LYS A 13 -10.432 -2.151 4.487 1.00 0.00 C ATOM 189 CG LYS A 13 -10.628 -0.911 5.359 1.00 0.00 C ATOM 190 CD LYS A 13 -12.125 -0.594 5.422 1.00 0.00 C ATOM 191 CE LYS A 13 -12.353 0.664 6.256 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.991 0.391 7.676 1.00 0.00 N ATOM 0 H LYS A 13 -9.730 -3.586 2.691 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.430 -1.467 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.953 -2.020 3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.874 -3.019 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.235 -1.086 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.079 -0.066 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.518 -0.450 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.666 -1.434 5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.751 1.485 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.396 0.974 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.391 1.133 8.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.374 -0.533 7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.956 0.382 7.775 1.00 0.00 H new ATOM 206 N GLU A 14 -8.565 -4.281 5.730 1.00 0.00 N ATOM 207 CA GLU A 14 -7.966 -4.946 6.882 1.00 0.00 C ATOM 208 C GLU A 14 -6.454 -4.974 6.708 1.00 0.00 C ATOM 209 O GLU A 14 -5.702 -4.757 7.655 1.00 0.00 O ATOM 210 CB GLU A 14 -8.501 -6.385 7.005 1.00 0.00 C ATOM 211 CG GLU A 14 -9.839 -6.392 7.751 1.00 0.00 C ATOM 212 CD GLU A 14 -10.872 -5.565 6.999 1.00 0.00 C ATOM 213 OE1 GLU A 14 -10.683 -4.363 6.902 1.00 0.00 O ATOM 214 OE2 GLU A 14 -11.839 -6.145 6.534 1.00 0.00 O ATOM 0 H GLU A 14 -9.191 -4.864 5.174 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.225 -4.399 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.627 -6.819 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.778 -7.005 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.195 -7.416 7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.704 -5.991 8.755 1.00 0.00 H new ATOM 221 N ALA A 15 -6.029 -5.220 5.476 1.00 0.00 N ATOM 222 CA ALA A 15 -4.611 -5.263 5.158 1.00 0.00 C ATOM 223 C ALA A 15 -3.957 -3.920 5.460 1.00 0.00 C ATOM 224 O ALA A 15 -2.860 -3.856 6.014 1.00 0.00 O ATOM 225 CB ALA A 15 -4.428 -5.591 3.672 1.00 0.00 C ATOM 0 H ALA A 15 -6.646 -5.392 4.682 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.139 -6.033 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.365 -5.623 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.877 -6.560 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.912 -4.823 3.068 1.00 0.00 H new ATOM 231 N PHE A 16 -4.617 -2.845 5.058 1.00 0.00 N ATOM 232 CA PHE A 16 -4.090 -1.502 5.255 1.00 0.00 C ATOM 233 C PHE A 16 -4.064 -1.066 6.726 1.00 0.00 C ATOM 234 O PHE A 16 -3.056 -0.534 7.189 1.00 0.00 O ATOM 235 CB PHE A 16 -4.928 -0.547 4.428 1.00 0.00 C ATOM 236 CG PHE A 16 -4.475 0.867 4.671 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.947 1.570 5.782 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.588 1.474 3.783 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.530 2.889 6.000 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.171 2.787 3.995 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.641 3.499 5.103 1.00 0.00 C ATOM 0 H PHE A 16 -5.523 -2.876 4.591 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.049 -1.492 4.933 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.837 -0.791 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.981 -0.652 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.632 1.098 6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.223 0.925 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.893 3.436 6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.485 3.254 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.320 4.517 5.268 1.00 0.00 H new ATOM 251 N SER A 17 -5.148 -1.299 7.464 1.00 0.00 N ATOM 252 CA SER A 17 -5.168 -0.922 8.881 1.00 0.00 C ATOM 253 C SER A 17 -4.158 -1.764 9.631 1.00 0.00 C ATOM 254 O SER A 17 -3.518 -1.314 10.581 1.00 0.00 O ATOM 255 CB SER A 17 -6.551 -1.114 9.498 1.00 0.00 C ATOM 256 OG SER A 17 -7.522 -0.460 8.696 1.00 0.00 O ATOM 0 H SER A 17 -6.003 -1.735 7.119 1.00 0.00 H new ATOM 0 HA SER A 17 -4.914 0.135 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.783 -2.176 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.568 -0.710 10.510 1.00 0.00 H new ATOM 0 HG SER A 17 -7.676 -0.980 7.879 1.00 0.00 H new ATOM 262 N LEU A 18 -4.009 -2.993 9.158 1.00 0.00 N ATOM 263 CA LEU A 18 -3.068 -3.944 9.721 1.00 0.00 C ATOM 264 C LEU A 18 -1.647 -3.403 9.567 1.00 0.00 C ATOM 265 O LEU A 18 -0.828 -3.512 10.479 1.00 0.00 O ATOM 266 CB LEU A 18 -3.264 -5.261 8.959 1.00 0.00 C ATOM 267 CG LEU A 18 -2.213 -6.307 9.304 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.293 -6.663 10.788 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.511 -7.553 8.465 1.00 0.00 C ATOM 0 H LEU A 18 -4.542 -3.358 8.368 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.234 -4.107 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.253 -5.660 9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.234 -5.063 7.888 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.214 -5.924 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.537 -7.412 11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.117 -5.769 11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.282 -7.062 11.014 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.775 -8.326 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.508 -7.922 8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.462 -7.299 7.406 1.00 0.00 H new ATOM 281 N PHE A 19 -1.371 -2.800 8.412 1.00 0.00 N ATOM 282 CA PHE A 19 -0.052 -2.225 8.165 1.00 0.00 C ATOM 283 C PHE A 19 0.136 -0.931 8.956 1.00 0.00 C ATOM 284 O PHE A 19 1.255 -0.437 9.089 1.00 0.00 O ATOM 285 CB PHE A 19 0.146 -1.927 6.666 1.00 0.00 C ATOM 286 CG PHE A 19 0.207 -3.206 5.839 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.036 -4.274 6.214 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.558 -3.310 4.667 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.089 -5.430 5.435 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.503 -4.469 3.890 1.00 0.00 C ATOM 291 CZ PHE A 19 0.318 -5.529 4.274 1.00 0.00 C ATOM 0 H PHE A 19 -2.033 -2.698 7.643 1.00 0.00 H new ATOM 0 HA PHE A 19 0.687 -2.958 8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.672 -1.301 6.308 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.066 -1.359 6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.636 -4.201 7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.192 -2.490 4.365 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.727 -6.250 5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.097 -4.545 2.991 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.358 -6.426 3.674 1.00 0.00 H new ATOM 301 N ASP A 20 -0.954 -0.375 9.473 1.00 0.00 N ATOM 302 CA ASP A 20 -0.874 0.867 10.237 1.00 0.00 C ATOM 303 C ASP A 20 -0.646 0.587 11.726 1.00 0.00 C ATOM 304 O ASP A 20 -1.584 0.626 12.522 1.00 0.00 O ATOM 305 CB ASP A 20 -2.172 1.640 10.054 1.00 0.00 C ATOM 306 CG ASP A 20 -1.997 3.082 10.520 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.871 3.464 10.799 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.989 3.783 10.587 1.00 0.00 O ATOM 0 H ASP A 20 -1.894 -0.759 9.379 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.030 1.451 9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.469 1.623 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.971 1.162 10.620 1.00 0.00 H new ATOM 313 N LYS A 21 0.600 0.284 12.088 1.00 0.00 N ATOM 314 CA LYS A 21 0.934 -0.027 13.483 1.00 0.00 C ATOM 315 C LYS A 21 0.210 0.901 14.459 1.00 0.00 C ATOM 316 O LYS A 21 -0.355 0.442 15.450 1.00 0.00 O ATOM 317 CB LYS A 21 2.442 0.114 13.721 1.00 0.00 C ATOM 318 CG LYS A 21 3.202 -1.000 13.000 1.00 0.00 C ATOM 319 CD LYS A 21 4.704 -0.845 13.263 1.00 0.00 C ATOM 320 CE LYS A 21 5.465 -1.974 12.565 1.00 0.00 C ATOM 321 NZ LYS A 21 6.929 -1.824 12.811 1.00 0.00 N ATOM 0 H LYS A 21 1.390 0.247 11.444 1.00 0.00 H new ATOM 0 HA LYS A 21 0.615 -1.054 13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.784 1.086 13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.653 0.074 14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.859 -1.974 13.349 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.003 -0.957 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.050 0.122 12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.900 -0.869 14.335 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.122 -2.940 12.936 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.263 -1.953 11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.403 -1.546 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.086 -1.093 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.320 -2.729 13.143 1.00 0.00 H new ATOM 335 N ASP A 22 0.249 2.204 14.194 1.00 0.00 N ATOM 336 CA ASP A 22 -0.393 3.177 15.080 1.00 0.00 C ATOM 337 C ASP A 22 -1.857 3.402 14.705 1.00 0.00 C ATOM 338 O ASP A 22 -2.564 4.161 15.366 1.00 0.00 O ATOM 339 CB ASP A 22 0.367 4.501 15.006 1.00 0.00 C ATOM 340 CG ASP A 22 0.470 4.959 13.556 1.00 0.00 C ATOM 341 OD1 ASP A 22 -0.420 4.635 12.788 1.00 0.00 O ATOM 342 OD2 ASP A 22 1.436 5.633 13.238 1.00 0.00 O ATOM 0 H ASP A 22 0.713 2.610 13.382 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.368 2.783 16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.145 5.258 15.600 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.364 4.383 15.431 1.00 0.00 H new ATOM 347 N GLY A 23 -2.313 2.740 13.650 1.00 0.00 N ATOM 348 CA GLY A 23 -3.701 2.889 13.226 1.00 0.00 C ATOM 349 C GLY A 23 -4.075 4.360 13.083 1.00 0.00 C ATOM 350 O GLY A 23 -5.180 4.765 13.442 1.00 0.00 O ATOM 0 H GLY A 23 -1.754 2.105 13.080 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.851 2.378 12.275 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.360 2.412 13.952 1.00 0.00 H new ATOM 354 N ASP A 24 -3.144 5.159 12.559 1.00 0.00 N ATOM 355 CA ASP A 24 -3.387 6.590 12.376 1.00 0.00 C ATOM 356 C ASP A 24 -3.972 6.880 10.995 1.00 0.00 C ATOM 357 O ASP A 24 -4.245 8.031 10.659 1.00 0.00 O ATOM 358 CB ASP A 24 -2.080 7.365 12.547 1.00 0.00 C ATOM 359 CG ASP A 24 -1.134 7.068 11.385 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.470 6.222 10.571 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.086 7.690 11.328 1.00 0.00 O ATOM 0 H ASP A 24 -2.223 4.843 12.256 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.108 6.908 13.130 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.286 8.434 12.593 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.607 7.091 13.490 1.00 0.00 H new ATOM 366 N GLY A 25 -4.164 5.832 10.198 1.00 0.00 N ATOM 367 CA GLY A 25 -4.717 5.998 8.860 1.00 0.00 C ATOM 368 C GLY A 25 -3.642 6.418 7.862 1.00 0.00 C ATOM 369 O GLY A 25 -3.951 6.962 6.802 1.00 0.00 O ATOM 0 H GLY A 25 -3.947 4.869 10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.173 5.063 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.508 6.747 8.882 1.00 0.00 H new ATOM 373 N CYS A 26 -2.374 6.163 8.199 1.00 0.00 N ATOM 374 CA CYS A 26 -1.270 6.522 7.310 1.00 0.00 C ATOM 375 C CYS A 26 -0.169 5.471 7.352 1.00 0.00 C ATOM 376 O CYS A 26 0.210 4.993 8.419 1.00 0.00 O ATOM 377 CB CYS A 26 -0.681 7.875 7.722 1.00 0.00 C ATOM 378 SG CYS A 26 -2.021 9.028 8.109 1.00 0.00 S ATOM 0 H CYS A 26 -2.091 5.715 9.070 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.665 6.581 6.296 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.032 7.752 8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.065 8.275 6.917 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.708 8.573 9.115 1.00 0.00 H new ATOM 384 N ILE A 27 0.356 5.137 6.176 1.00 0.00 N ATOM 385 CA ILE A 27 1.443 4.163 6.067 1.00 0.00 C ATOM 386 C ILE A 27 2.699 4.922 5.676 1.00 0.00 C ATOM 387 O ILE A 27 2.722 5.585 4.633 1.00 0.00 O ATOM 388 CB ILE A 27 1.149 3.110 4.972 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.343 2.763 4.957 1.00 0.00 C ATOM 390 CG2 ILE A 27 1.966 1.831 5.214 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.742 1.998 6.218 1.00 0.00 C ATOM 0 H ILE A 27 0.048 5.525 5.285 1.00 0.00 H new ATOM 0 HA ILE A 27 1.556 3.645 7.019 1.00 0.00 H new ATOM 0 HB ILE A 27 1.433 3.536 4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.932 3.677 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.571 2.163 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.744 1.104 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.029 2.070 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.705 1.411 6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.806 1.765 6.181 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.169 1.072 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.535 2.610 7.096 1.00 0.00 H new ATOM 403 N THR A 28 3.736 4.819 6.491 1.00 0.00 N ATOM 404 CA THR A 28 4.996 5.488 6.195 1.00 0.00 C ATOM 405 C THR A 28 5.961 4.465 5.609 1.00 0.00 C ATOM 406 O THR A 28 5.701 3.263 5.654 1.00 0.00 O ATOM 407 CB THR A 28 5.569 6.134 7.461 1.00 0.00 C ATOM 408 OG1 THR A 28 5.967 5.124 8.375 1.00 0.00 O ATOM 409 CG2 THR A 28 4.501 7.029 8.105 1.00 0.00 C ATOM 0 H THR A 28 3.733 4.282 7.358 1.00 0.00 H new ATOM 0 HA THR A 28 4.836 6.286 5.470 1.00 0.00 H new ATOM 0 HB THR A 28 6.437 6.739 7.200 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.334 5.540 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.907 7.489 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.206 7.807 7.401 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.631 6.427 8.366 1.00 0.00 H new ATOM 417 N THR A 29 7.060 4.934 5.038 1.00 0.00 N ATOM 418 CA THR A 29 8.017 4.027 4.421 1.00 0.00 C ATOM 419 C THR A 29 8.565 3.046 5.456 1.00 0.00 C ATOM 420 O THR A 29 8.941 1.921 5.127 1.00 0.00 O ATOM 421 CB THR A 29 9.164 4.820 3.801 1.00 0.00 C ATOM 422 OG1 THR A 29 9.800 5.594 4.806 1.00 0.00 O ATOM 423 CG2 THR A 29 8.614 5.745 2.716 1.00 0.00 C ATOM 0 H THR A 29 7.310 5.922 4.989 1.00 0.00 H new ATOM 0 HA THR A 29 7.507 3.464 3.639 1.00 0.00 H new ATOM 0 HB THR A 29 9.886 4.133 3.360 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.538 6.102 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.432 6.312 2.272 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.124 5.150 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.892 6.433 3.156 1.00 0.00 H new ATOM 431 N LYS A 30 8.598 3.492 6.709 1.00 0.00 N ATOM 432 CA LYS A 30 9.086 2.659 7.808 1.00 0.00 C ATOM 433 C LYS A 30 8.152 1.476 8.040 1.00 0.00 C ATOM 434 O LYS A 30 8.586 0.326 8.128 1.00 0.00 O ATOM 435 CB LYS A 30 9.176 3.486 9.088 1.00 0.00 C ATOM 436 CG LYS A 30 9.806 2.650 10.206 1.00 0.00 C ATOM 437 CD LYS A 30 9.958 3.521 11.456 1.00 0.00 C ATOM 438 CE LYS A 30 10.585 2.705 12.591 1.00 0.00 C ATOM 439 NZ LYS A 30 11.949 2.255 12.194 1.00 0.00 N ATOM 0 H LYS A 30 8.293 4.424 6.990 1.00 0.00 H new ATOM 0 HA LYS A 30 10.075 2.285 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.772 4.381 8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.182 3.819 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.182 1.783 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.778 2.272 9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.581 4.387 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.984 3.901 11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.640 3.308 13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.959 1.842 12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.489 1.993 13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.873 1.431 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.438 3.027 11.697 1.00 0.00 H new ATOM 453 N GLU A 31 6.859 1.776 8.114 1.00 0.00 N ATOM 454 CA GLU A 31 5.848 0.747 8.310 1.00 0.00 C ATOM 455 C GLU A 31 5.790 -0.129 7.074 1.00 0.00 C ATOM 456 O GLU A 31 5.797 -1.357 7.159 1.00 0.00 O ATOM 457 CB GLU A 31 4.493 1.411 8.527 1.00 0.00 C ATOM 458 CG GLU A 31 4.500 2.146 9.866 1.00 0.00 C ATOM 459 CD GLU A 31 3.196 2.915 10.044 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.730 3.484 9.071 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.685 2.930 11.152 1.00 0.00 O ATOM 0 H GLU A 31 6.488 2.723 8.041 1.00 0.00 H new ATOM 0 HA GLU A 31 6.098 0.139 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.283 2.109 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.702 0.662 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.626 1.433 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.346 2.832 9.909 1.00 0.00 H new ATOM 468 N LEU A 32 5.780 0.526 5.918 1.00 0.00 N ATOM 469 CA LEU A 32 5.770 -0.183 4.656 1.00 0.00 C ATOM 470 C LEU A 32 7.054 -0.998 4.581 1.00 0.00 C ATOM 471 O LEU A 32 7.047 -2.157 4.185 1.00 0.00 O ATOM 472 CB LEU A 32 5.694 0.814 3.498 1.00 0.00 C ATOM 473 CG LEU A 32 5.535 0.075 2.161 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.149 -0.587 2.065 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.708 1.079 1.014 1.00 0.00 C ATOM 0 H LEU A 32 5.779 1.543 5.835 1.00 0.00 H new ATOM 0 HA LEU A 32 4.903 -0.840 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.853 1.491 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.596 1.426 3.477 1.00 0.00 H new ATOM 0 HG LEU A 32 6.293 -0.706 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.058 -1.105 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.031 -1.303 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.375 0.177 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.597 0.564 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.951 1.859 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.699 1.529 1.070 1.00 0.00 H new ATOM 487 N GLY A 33 8.155 -0.380 5.006 1.00 0.00 N ATOM 488 CA GLY A 33 9.439 -1.065 5.016 1.00 0.00 C ATOM 489 C GLY A 33 9.404 -2.246 5.980 1.00 0.00 C ATOM 490 O GLY A 33 9.887 -3.327 5.661 1.00 0.00 O ATOM 0 H GLY A 33 8.181 0.582 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.680 -1.414 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.226 -0.371 5.310 1.00 0.00 H new ATOM 494 N THR A 34 8.803 -2.048 7.159 1.00 0.00 N ATOM 495 CA THR A 34 8.704 -3.130 8.139 1.00 0.00 C ATOM 496 C THR A 34 8.150 -4.350 7.428 1.00 0.00 C ATOM 497 O THR A 34 8.635 -5.473 7.577 1.00 0.00 O ATOM 498 CB THR A 34 7.740 -2.715 9.266 1.00 0.00 C ATOM 499 OG1 THR A 34 8.108 -1.436 9.764 1.00 0.00 O ATOM 500 CG2 THR A 34 7.778 -3.741 10.404 1.00 0.00 C ATOM 0 H THR A 34 8.386 -1.165 7.452 1.00 0.00 H new ATOM 0 HA THR A 34 9.682 -3.347 8.570 1.00 0.00 H new ATOM 0 HB THR A 34 6.728 -2.672 8.864 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.706 -0.996 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.092 -3.434 11.193 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.480 -4.718 10.023 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.789 -3.801 10.806 1.00 0.00 H new ATOM 508 N VAL A 35 7.107 -4.083 6.665 1.00 0.00 N ATOM 509 CA VAL A 35 6.417 -5.104 5.902 1.00 0.00 C ATOM 510 C VAL A 35 7.280 -5.614 4.751 1.00 0.00 C ATOM 511 O VAL A 35 7.540 -6.807 4.651 1.00 0.00 O ATOM 512 CB VAL A 35 5.111 -4.507 5.388 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.352 -5.527 4.538 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.259 -4.086 6.585 1.00 0.00 C ATOM 0 H VAL A 35 6.714 -3.148 6.557 1.00 0.00 H new ATOM 0 HA VAL A 35 6.208 -5.963 6.539 1.00 0.00 H new ATOM 0 HB VAL A 35 5.329 -3.641 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.423 -5.083 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.966 -5.820 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.125 -6.406 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.321 -3.657 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.048 -4.957 7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.799 -3.343 7.173 1.00 0.00 H new ATOM 524 N MET A 36 7.739 -4.716 3.887 1.00 0.00 N ATOM 525 CA MET A 36 8.576 -5.131 2.767 1.00 0.00 C ATOM 526 C MET A 36 9.800 -5.868 3.296 1.00 0.00 C ATOM 527 O MET A 36 10.204 -6.897 2.754 1.00 0.00 O ATOM 528 CB MET A 36 9.002 -3.896 1.973 1.00 0.00 C ATOM 529 CG MET A 36 7.774 -3.253 1.319 1.00 0.00 C ATOM 530 SD MET A 36 7.101 -4.350 0.044 1.00 0.00 S ATOM 531 CE MET A 36 8.200 -3.841 -1.302 1.00 0.00 C ATOM 0 H MET A 36 7.551 -3.715 3.937 1.00 0.00 H new ATOM 0 HA MET A 36 8.018 -5.800 2.112 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.492 -3.179 2.632 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.728 -4.175 1.210 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.014 -3.051 2.074 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.047 -2.295 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.857 -4.281 -2.238 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.192 -2.754 -1.387 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.214 -4.181 -1.092 1.00 0.00 H new ATOM 541 N ARG A 37 10.365 -5.347 4.381 1.00 0.00 N ATOM 542 CA ARG A 37 11.523 -5.961 5.024 1.00 0.00 C ATOM 543 C ARG A 37 11.203 -7.382 5.459 1.00 0.00 C ATOM 544 O ARG A 37 11.932 -8.330 5.168 1.00 0.00 O ATOM 545 CB ARG A 37 11.848 -5.148 6.272 1.00 0.00 C ATOM 546 CG ARG A 37 13.090 -5.687 6.973 1.00 0.00 C ATOM 547 CD ARG A 37 13.414 -4.779 8.170 1.00 0.00 C ATOM 548 NE ARG A 37 12.346 -4.847 9.164 1.00 0.00 N ATOM 549 CZ ARG A 37 12.310 -4.017 10.204 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.231 -3.102 10.346 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.348 -4.115 11.081 1.00 0.00 N ATOM 0 H ARG A 37 10.037 -4.495 4.836 1.00 0.00 H new ATOM 0 HA ARG A 37 12.357 -5.981 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.005 -4.105 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.001 -5.174 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.920 -6.710 7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.932 -5.715 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.359 -5.084 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.539 -3.751 7.831 1.00 0.00 H new ATOM 0 HE ARG A 37 11.611 -5.546 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.981 -3.022 9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.201 -2.467 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.626 -4.827 10.969 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.318 -3.480 11.879 1.00 0.00 H new ATOM 565 N SER A 38 10.102 -7.495 6.177 1.00 0.00 N ATOM 566 CA SER A 38 9.649 -8.778 6.694 1.00 0.00 C ATOM 567 C SER A 38 9.160 -9.697 5.575 1.00 0.00 C ATOM 568 O SER A 38 8.956 -10.892 5.789 1.00 0.00 O ATOM 569 CB SER A 38 8.515 -8.552 7.695 1.00 0.00 C ATOM 570 OG SER A 38 8.118 -9.800 8.245 1.00 0.00 O ATOM 0 H SER A 38 9.499 -6.709 6.418 1.00 0.00 H new ATOM 0 HA SER A 38 10.495 -9.261 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.843 -7.880 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.669 -8.074 7.202 1.00 0.00 H new ATOM 0 HG SER A 38 8.382 -10.523 7.639 1.00 0.00 H new ATOM 576 N LEU A 39 8.939 -9.129 4.390 1.00 0.00 N ATOM 577 CA LEU A 39 8.431 -9.901 3.247 1.00 0.00 C ATOM 578 C LEU A 39 9.572 -10.340 2.318 1.00 0.00 C ATOM 579 O LEU A 39 9.410 -10.396 1.097 1.00 0.00 O ATOM 580 CB LEU A 39 7.384 -9.052 2.483 1.00 0.00 C ATOM 581 CG LEU A 39 5.944 -9.334 2.980 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.405 -10.612 2.327 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.892 -9.470 4.519 1.00 0.00 C ATOM 0 H LEU A 39 9.102 -8.142 4.193 1.00 0.00 H new ATOM 0 HA LEU A 39 7.955 -10.809 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.612 -7.994 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.449 -9.267 1.416 1.00 0.00 H new ATOM 0 HG LEU A 39 5.320 -8.487 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.392 -10.803 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.393 -10.490 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.046 -11.453 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.867 -9.667 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.533 -10.294 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.240 -8.545 4.978 1.00 0.00 H new ATOM 595 N GLY A 40 10.718 -10.680 2.897 1.00 0.00 N ATOM 596 CA GLY A 40 11.845 -11.138 2.096 1.00 0.00 C ATOM 597 C GLY A 40 12.261 -10.086 1.080 1.00 0.00 C ATOM 598 O GLY A 40 13.123 -10.333 0.236 1.00 0.00 O ATOM 0 H GLY A 40 10.890 -10.648 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.687 -11.371 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.577 -12.060 1.580 1.00 0.00 H new ATOM 602 N GLN A 41 11.647 -8.908 1.166 1.00 0.00 N ATOM 603 CA GLN A 41 11.957 -7.811 0.250 1.00 0.00 C ATOM 604 C GLN A 41 12.860 -6.798 0.951 1.00 0.00 C ATOM 605 O GLN A 41 12.806 -6.653 2.172 1.00 0.00 O ATOM 606 CB GLN A 41 10.638 -7.137 -0.207 1.00 0.00 C ATOM 607 CG GLN A 41 10.667 -6.865 -1.714 1.00 0.00 C ATOM 608 CD GLN A 41 10.595 -8.188 -2.470 1.00 0.00 C ATOM 609 OE1 GLN A 41 9.709 -9.003 -2.212 1.00 0.00 O ATOM 610 NE2 GLN A 41 11.483 -8.456 -3.386 1.00 0.00 N ATOM 0 H GLN A 41 10.932 -8.688 1.860 1.00 0.00 H new ATOM 0 HA GLN A 41 12.479 -8.196 -0.626 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.792 -7.779 0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.494 -6.202 0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.829 -6.227 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.579 -6.330 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.216 -7.780 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.444 -9.342 -3.890 1.00 0.00 H new ATOM 619 N ASN A 42 13.695 -6.101 0.183 1.00 0.00 N ATOM 620 CA ASN A 42 14.602 -5.110 0.765 1.00 0.00 C ATOM 621 C ASN A 42 14.776 -3.911 -0.160 1.00 0.00 C ATOM 622 O ASN A 42 15.853 -3.701 -0.712 1.00 0.00 O ATOM 623 CB ASN A 42 15.970 -5.737 1.015 1.00 0.00 C ATOM 624 CG ASN A 42 15.812 -7.101 1.674 1.00 0.00 C ATOM 625 OD1 ASN A 42 15.228 -7.188 2.835 1.00 0.00 O flip ATOM 626 ND2 ASN A 42 16.235 -8.112 1.117 1.00 0.00 N flip ATOM 0 H ASN A 42 13.764 -6.200 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 42 14.164 -4.773 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.508 -5.841 0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.566 -5.084 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.692 -8.040 0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.129 -9.023 1.564 1.00 0.00 H new ATOM 633 N PRO A 43 13.749 -3.117 -0.330 1.00 0.00 N ATOM 634 CA PRO A 43 13.809 -1.902 -1.197 1.00 0.00 C ATOM 635 C PRO A 43 14.772 -0.854 -0.653 1.00 0.00 C ATOM 636 O PRO A 43 14.972 -0.751 0.557 1.00 0.00 O ATOM 637 CB PRO A 43 12.366 -1.367 -1.178 1.00 0.00 C ATOM 638 CG PRO A 43 11.530 -2.515 -0.721 1.00 0.00 C ATOM 639 CD PRO A 43 12.419 -3.271 0.270 1.00 0.00 C ATOM 0 HA PRO A 43 14.173 -2.136 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.270 -0.517 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.059 -1.025 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.611 -2.172 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.239 -3.151 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.371 -2.841 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.131 -4.318 0.359 1.00 0.00 H new ATOM 647 N THR A 44 15.328 -0.041 -1.543 1.00 0.00 N ATOM 648 CA THR A 44 16.216 1.022 -1.107 1.00 0.00 C ATOM 649 C THR A 44 15.356 2.172 -0.610 1.00 0.00 C ATOM 650 O THR A 44 14.176 2.245 -0.927 1.00 0.00 O ATOM 651 CB THR A 44 17.111 1.490 -2.248 1.00 0.00 C ATOM 652 OG1 THR A 44 17.693 0.364 -2.890 1.00 0.00 O ATOM 653 CG2 THR A 44 18.217 2.381 -1.695 1.00 0.00 C ATOM 0 H THR A 44 15.182 -0.097 -2.551 1.00 0.00 H new ATOM 0 HA THR A 44 16.866 0.657 -0.312 1.00 0.00 H new ATOM 0 HB THR A 44 16.514 2.051 -2.967 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.267 0.667 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.857 2.716 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.775 3.247 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.811 1.819 -0.975 1.00 0.00 H new ATOM 661 N GLU A 45 15.926 3.048 0.186 1.00 0.00 N ATOM 662 CA GLU A 45 15.147 4.149 0.737 1.00 0.00 C ATOM 663 C GLU A 45 14.585 5.060 -0.356 1.00 0.00 C ATOM 664 O GLU A 45 13.395 5.380 -0.350 1.00 0.00 O ATOM 665 CB GLU A 45 16.011 4.956 1.701 1.00 0.00 C ATOM 666 CG GLU A 45 15.111 5.760 2.641 1.00 0.00 C ATOM 667 CD GLU A 45 14.438 4.824 3.637 1.00 0.00 C ATOM 668 OE1 GLU A 45 14.767 3.649 3.630 1.00 0.00 O ATOM 669 OE2 GLU A 45 13.599 5.294 4.386 1.00 0.00 O ATOM 0 H GLU A 45 16.907 3.028 0.466 1.00 0.00 H new ATOM 0 HA GLU A 45 14.298 3.722 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.653 4.289 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.666 5.627 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.700 6.508 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.357 6.297 2.066 1.00 0.00 H new ATOM 676 N ALA A 46 15.428 5.467 -1.296 1.00 0.00 N ATOM 677 CA ALA A 46 14.966 6.326 -2.380 1.00 0.00 C ATOM 678 C ALA A 46 13.853 5.627 -3.127 1.00 0.00 C ATOM 679 O ALA A 46 12.884 6.247 -3.562 1.00 0.00 O ATOM 680 CB ALA A 46 16.113 6.609 -3.353 1.00 0.00 C ATOM 0 H ALA A 46 16.418 5.222 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 46 14.608 7.266 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.757 7.251 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.925 7.108 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.475 5.670 -3.771 1.00 0.00 H new ATOM 686 N GLU A 47 14.015 4.326 -3.277 1.00 0.00 N ATOM 687 CA GLU A 47 13.042 3.521 -3.984 1.00 0.00 C ATOM 688 C GLU A 47 11.672 3.576 -3.298 1.00 0.00 C ATOM 689 O GLU A 47 10.649 3.727 -3.965 1.00 0.00 O ATOM 690 CB GLU A 47 13.557 2.082 -4.038 1.00 0.00 C ATOM 691 CG GLU A 47 12.737 1.262 -5.021 1.00 0.00 C ATOM 692 CD GLU A 47 13.021 1.724 -6.448 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.924 2.526 -6.621 1.00 0.00 O ATOM 694 OE2 GLU A 47 12.334 1.265 -7.344 1.00 0.00 O ATOM 0 H GLU A 47 14.814 3.805 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 47 12.913 3.912 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.606 2.075 -4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.504 1.633 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.980 0.204 -4.917 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.675 1.369 -4.800 1.00 0.00 H new ATOM 701 N LEU A 48 11.650 3.438 -1.968 1.00 0.00 N ATOM 702 CA LEU A 48 10.391 3.464 -1.217 1.00 0.00 C ATOM 703 C LEU A 48 9.699 4.805 -1.373 1.00 0.00 C ATOM 704 O LEU A 48 8.481 4.880 -1.546 1.00 0.00 O ATOM 705 CB LEU A 48 10.681 3.271 0.265 1.00 0.00 C ATOM 706 CG LEU A 48 11.275 1.890 0.494 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.792 1.795 1.937 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.222 0.795 0.222 1.00 0.00 C ATOM 0 H LEU A 48 12.483 3.308 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 48 9.753 2.669 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.373 4.038 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.764 3.384 0.843 1.00 0.00 H new ATOM 0 HG LEU A 48 12.104 1.736 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.219 0.806 2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.558 2.554 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.967 1.957 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.665 -0.186 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.374 0.931 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.882 0.866 -0.811 1.00 0.00 H new ATOM 720 N GLN A 49 10.496 5.861 -1.324 1.00 0.00 N ATOM 721 CA GLN A 49 9.963 7.214 -1.476 1.00 0.00 C ATOM 722 C GLN A 49 9.403 7.387 -2.876 1.00 0.00 C ATOM 723 O GLN A 49 8.304 7.907 -3.064 1.00 0.00 O ATOM 724 CB GLN A 49 11.067 8.245 -1.244 1.00 0.00 C ATOM 725 CG GLN A 49 11.427 8.294 0.240 1.00 0.00 C ATOM 726 CD GLN A 49 12.634 9.206 0.442 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.720 8.918 -0.061 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.505 10.298 1.146 1.00 0.00 N ATOM 0 H GLN A 49 11.505 5.813 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 49 9.172 7.365 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.947 7.987 -1.833 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.736 9.228 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.579 8.661 0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.651 7.291 0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.604 10.534 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.306 10.916 1.281 1.00 0.00 H new ATOM 737 N ASP A 50 10.175 6.938 -3.853 1.00 0.00 N ATOM 738 CA ASP A 50 9.776 7.023 -5.238 1.00 0.00 C ATOM 739 C ASP A 50 8.529 6.171 -5.483 1.00 0.00 C ATOM 740 O ASP A 50 7.594 6.592 -6.170 1.00 0.00 O ATOM 741 CB ASP A 50 10.940 6.535 -6.091 1.00 0.00 C ATOM 742 CG ASP A 50 12.065 7.569 -6.078 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.807 8.693 -5.677 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.168 7.220 -6.461 1.00 0.00 O ATOM 0 H ASP A 50 11.088 6.508 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 50 9.528 8.051 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.306 5.582 -5.710 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.605 6.362 -7.114 1.00 0.00 H new ATOM 749 N MET A 51 8.516 4.975 -4.897 1.00 0.00 N ATOM 750 CA MET A 51 7.375 4.077 -5.043 1.00 0.00 C ATOM 751 C MET A 51 6.128 4.771 -4.512 1.00 0.00 C ATOM 752 O MET A 51 5.080 4.786 -5.154 1.00 0.00 O ATOM 753 CB MET A 51 7.631 2.792 -4.250 1.00 0.00 C ATOM 754 CG MET A 51 6.511 1.782 -4.503 1.00 0.00 C ATOM 755 SD MET A 51 6.566 1.242 -6.229 1.00 0.00 S ATOM 756 CE MET A 51 7.701 -0.149 -5.999 1.00 0.00 C ATOM 0 H MET A 51 9.275 4.609 -4.322 1.00 0.00 H new ATOM 0 HA MET A 51 7.234 3.825 -6.094 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.590 2.362 -4.540 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.692 3.019 -3.186 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.622 0.925 -3.839 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.543 2.233 -4.282 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.878 -0.637 -6.958 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.646 0.215 -5.597 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.263 -0.865 -5.303 1.00 0.00 H new ATOM 766 N ILE A 52 6.279 5.375 -3.345 1.00 0.00 N ATOM 767 CA ILE A 52 5.197 6.115 -2.713 1.00 0.00 C ATOM 768 C ILE A 52 4.797 7.311 -3.575 1.00 0.00 C ATOM 769 O ILE A 52 3.612 7.597 -3.741 1.00 0.00 O ATOM 770 CB ILE A 52 5.657 6.565 -1.294 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.266 5.503 -0.246 1.00 0.00 C ATOM 772 CG2 ILE A 52 5.084 7.933 -0.894 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.840 5.861 1.134 1.00 0.00 C ATOM 0 H ILE A 52 7.148 5.367 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 52 4.318 5.478 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 52 6.742 6.667 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.180 5.428 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.636 4.526 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.436 8.198 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.413 8.688 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.995 7.885 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.552 5.098 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.927 5.911 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.449 6.828 1.451 1.00 0.00 H new ATOM 785 N ASN A 53 5.798 8.009 -4.098 1.00 0.00 N ATOM 786 CA ASN A 53 5.570 9.199 -4.909 1.00 0.00 C ATOM 787 C ASN A 53 4.730 8.924 -6.166 1.00 0.00 C ATOM 788 O ASN A 53 4.025 9.813 -6.645 1.00 0.00 O ATOM 789 CB ASN A 53 6.913 9.816 -5.298 1.00 0.00 C ATOM 790 CG ASN A 53 6.726 11.282 -5.680 1.00 0.00 C ATOM 791 OD1 ASN A 53 5.619 11.701 -6.019 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.748 12.091 -5.638 1.00 0.00 N ATOM 0 H ASN A 53 6.782 7.769 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 53 4.994 9.896 -4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.613 9.735 -4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.346 9.267 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.631 13.073 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.664 11.741 -5.357 1.00 0.00 H new ATOM 799 N GLU A 54 4.806 7.707 -6.700 1.00 0.00 N ATOM 800 CA GLU A 54 4.047 7.339 -7.884 1.00 0.00 C ATOM 801 C GLU A 54 2.552 7.282 -7.573 1.00 0.00 C ATOM 802 O GLU A 54 1.709 7.537 -8.435 1.00 0.00 O ATOM 803 CB GLU A 54 4.547 5.974 -8.367 1.00 0.00 C ATOM 804 CG GLU A 54 3.615 5.424 -9.435 1.00 0.00 C ATOM 805 CD GLU A 54 4.244 4.201 -10.093 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.196 3.681 -9.537 1.00 0.00 O ATOM 807 OE2 GLU A 54 3.764 3.803 -11.141 1.00 0.00 O ATOM 0 H GLU A 54 5.390 6.959 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 54 4.191 8.088 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.556 6.069 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.601 5.280 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.656 5.156 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.416 6.189 -10.185 1.00 0.00 H new ATOM 814 N VAL A 55 2.249 6.923 -6.338 1.00 0.00 N ATOM 815 CA VAL A 55 0.873 6.795 -5.866 1.00 0.00 C ATOM 816 C VAL A 55 0.451 8.044 -5.105 1.00 0.00 C ATOM 817 O VAL A 55 -0.720 8.244 -4.795 1.00 0.00 O ATOM 818 CB VAL A 55 0.811 5.596 -4.932 1.00 0.00 C ATOM 819 CG1 VAL A 55 -0.546 5.534 -4.231 1.00 0.00 C ATOM 820 CG2 VAL A 55 1.050 4.317 -5.728 1.00 0.00 C ATOM 0 H VAL A 55 2.950 6.710 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 55 0.202 6.666 -6.716 1.00 0.00 H new ATOM 0 HB VAL A 55 1.586 5.698 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.573 4.670 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.697 6.444 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.337 5.444 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.006 3.458 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.283 4.218 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.032 4.360 -6.199 1.00 0.00 H new ATOM 830 N ASP A 56 1.435 8.858 -4.773 1.00 0.00 N ATOM 831 CA ASP A 56 1.188 10.068 -4.013 1.00 0.00 C ATOM 832 C ASP A 56 0.491 11.126 -4.865 1.00 0.00 C ATOM 833 O ASP A 56 0.807 12.313 -4.783 1.00 0.00 O ATOM 834 CB ASP A 56 2.527 10.580 -3.485 1.00 0.00 C ATOM 835 CG ASP A 56 2.347 11.546 -2.328 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.217 11.912 -2.044 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.348 11.906 -1.735 1.00 0.00 O ATOM 0 H ASP A 56 2.413 8.703 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 56 0.520 9.849 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.137 9.736 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.069 11.075 -4.290 1.00 0.00 H new ATOM 842 N ALA A 57 -0.471 10.683 -5.678 1.00 0.00 N ATOM 843 CA ALA A 57 -1.228 11.589 -6.544 1.00 0.00 C ATOM 844 C ALA A 57 -1.559 12.879 -5.803 1.00 0.00 C ATOM 845 O ALA A 57 -1.788 13.923 -6.413 1.00 0.00 O ATOM 846 CB ALA A 57 -2.536 10.917 -6.976 1.00 0.00 C ATOM 0 H ALA A 57 -0.744 9.703 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.620 11.821 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.097 11.594 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.311 10.000 -7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.131 10.679 -6.094 1.00 0.00 H new ATOM 852 N ASP A 58 -1.592 12.785 -4.478 1.00 0.00 N ATOM 853 CA ASP A 58 -1.903 13.934 -3.630 1.00 0.00 C ATOM 854 C ASP A 58 -0.638 14.711 -3.268 1.00 0.00 C ATOM 855 O ASP A 58 -0.644 15.941 -3.239 1.00 0.00 O ATOM 856 CB ASP A 58 -2.597 13.448 -2.356 1.00 0.00 C ATOM 857 CG ASP A 58 -1.869 12.229 -1.801 1.00 0.00 C ATOM 858 OD1 ASP A 58 -1.600 11.325 -2.575 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.598 12.211 -0.612 1.00 0.00 O ATOM 0 H ASP A 58 -1.407 11.923 -3.965 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.564 14.604 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.610 14.245 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.635 13.196 -2.571 1.00 0.00 H new ATOM 864 N GLY A 59 0.444 13.988 -2.989 1.00 0.00 N ATOM 865 CA GLY A 59 1.713 14.628 -2.621 1.00 0.00 C ATOM 866 C GLY A 59 1.844 14.786 -1.106 1.00 0.00 C ATOM 867 O GLY A 59 2.070 15.889 -0.608 1.00 0.00 O ATOM 0 H GLY A 59 0.473 12.969 -3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.544 14.033 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.779 15.606 -3.097 1.00 0.00 H new ATOM 871 N ASN A 60 1.704 13.676 -0.372 1.00 0.00 N ATOM 872 CA ASN A 60 1.813 13.702 1.092 1.00 0.00 C ATOM 873 C ASN A 60 2.988 12.844 1.569 1.00 0.00 C ATOM 874 O ASN A 60 3.485 13.030 2.680 1.00 0.00 O ATOM 875 CB ASN A 60 0.513 13.195 1.723 1.00 0.00 C ATOM 876 CG ASN A 60 0.335 11.707 1.448 1.00 0.00 C ATOM 877 OD1 ASN A 60 1.202 11.076 0.847 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.745 11.101 1.861 1.00 0.00 N ATOM 0 H ASN A 60 1.516 12.753 -0.764 1.00 0.00 H new ATOM 0 HA ASN A 60 1.989 14.732 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.529 13.373 2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.335 13.750 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.869 10.104 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.464 11.624 2.360 1.00 0.00 H new ATOM 885 N GLY A 61 3.436 11.910 0.728 1.00 0.00 N ATOM 886 CA GLY A 61 4.559 11.045 1.088 1.00 0.00 C ATOM 887 C GLY A 61 4.115 9.886 1.972 1.00 0.00 C ATOM 888 O GLY A 61 4.940 9.099 2.436 1.00 0.00 O ATOM 0 H GLY A 61 3.043 11.735 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.023 10.655 0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.317 11.630 1.608 1.00 0.00 H new ATOM 892 N THR A 62 2.808 9.762 2.179 1.00 0.00 N ATOM 893 CA THR A 62 2.260 8.670 2.986 1.00 0.00 C ATOM 894 C THR A 62 1.053 8.092 2.282 1.00 0.00 C ATOM 895 O THR A 62 0.549 8.677 1.325 1.00 0.00 O ATOM 896 CB THR A 62 1.902 9.151 4.391 1.00 0.00 C ATOM 897 OG1 THR A 62 0.884 10.141 4.322 1.00 0.00 O ATOM 898 CG2 THR A 62 3.156 9.729 5.047 1.00 0.00 C ATOM 0 H THR A 62 2.108 10.401 1.802 1.00 0.00 H new ATOM 0 HA THR A 62 3.015 7.892 3.097 1.00 0.00 H new ATOM 0 HB THR A 62 1.530 8.316 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.659 10.443 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.914 10.076 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.925 8.958 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.525 10.565 4.453 1.00 0.00 H new ATOM 906 N ILE A 63 0.621 6.914 2.713 1.00 0.00 N ATOM 907 CA ILE A 63 -0.497 6.242 2.057 1.00 0.00 C ATOM 908 C ILE A 63 -1.763 6.277 2.899 1.00 0.00 C ATOM 909 O ILE A 63 -1.779 5.813 4.042 1.00 0.00 O ATOM 910 CB ILE A 63 -0.123 4.773 1.809 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.341 4.693 1.361 1.00 0.00 C ATOM 912 CG2 ILE A 63 -1.018 4.175 0.719 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.710 3.244 1.060 1.00 0.00 C ATOM 0 H ILE A 63 1.020 6.408 3.503 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.693 6.767 1.122 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.262 4.210 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.494 5.309 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.992 5.089 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.743 3.134 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.060 4.229 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.889 4.736 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.751 3.192 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.574 2.640 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.069 2.863 0.265 1.00 0.00 H new ATOM 925 N ASP A 64 -2.839 6.762 2.290 1.00 0.00 N ATOM 926 CA ASP A 64 -4.141 6.775 2.936 1.00 0.00 C ATOM 927 C ASP A 64 -4.807 5.465 2.531 1.00 0.00 C ATOM 928 O ASP A 64 -4.129 4.597 1.988 1.00 0.00 O ATOM 929 CB ASP A 64 -4.955 7.981 2.462 1.00 0.00 C ATOM 930 CG ASP A 64 -6.109 8.253 3.422 1.00 0.00 C ATOM 931 OD1 ASP A 64 -7.143 7.620 3.277 1.00 0.00 O ATOM 932 OD2 ASP A 64 -5.940 9.090 4.294 1.00 0.00 O ATOM 0 H ASP A 64 -2.833 7.152 1.347 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.063 6.860 4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.312 8.859 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.343 7.795 1.460 1.00 0.00 H new ATOM 937 N PHE A 65 -6.103 5.285 2.754 1.00 0.00 N ATOM 938 CA PHE A 65 -6.714 4.024 2.339 1.00 0.00 C ATOM 939 C PHE A 65 -7.015 4.022 0.823 1.00 0.00 C ATOM 940 O PHE A 65 -6.635 3.088 0.124 1.00 0.00 O ATOM 941 CB PHE A 65 -7.952 3.683 3.189 1.00 0.00 C ATOM 942 CG PHE A 65 -8.655 2.528 2.542 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.013 1.292 2.479 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.923 2.692 1.987 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.638 0.209 1.870 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.558 1.606 1.377 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.915 0.361 1.320 1.00 0.00 C ATOM 0 H PHE A 65 -6.728 5.958 3.198 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.992 3.228 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.657 3.428 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.617 4.544 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.027 1.175 2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.413 3.654 2.028 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.138 -0.747 1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.543 1.726 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.405 -0.480 0.852 1.00 0.00 H new ATOM 957 N PRO A 66 -7.670 5.017 0.278 1.00 0.00 N ATOM 958 CA PRO A 66 -7.969 5.041 -1.186 1.00 0.00 C ATOM 959 C PRO A 66 -6.694 5.029 -2.032 1.00 0.00 C ATOM 960 O PRO A 66 -6.652 4.432 -3.113 1.00 0.00 O ATOM 961 CB PRO A 66 -8.754 6.347 -1.379 1.00 0.00 C ATOM 962 CG PRO A 66 -9.297 6.656 -0.030 1.00 0.00 C ATOM 963 CD PRO A 66 -8.209 6.214 0.939 1.00 0.00 C ATOM 0 HA PRO A 66 -8.525 4.160 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.109 7.148 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.553 6.226 -2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.512 7.719 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.230 6.122 0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.447 6.982 1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.611 5.987 1.926 1.00 0.00 H new ATOM 971 N GLU A 67 -5.648 5.664 -1.515 1.00 0.00 N ATOM 972 CA GLU A 67 -4.376 5.699 -2.214 1.00 0.00 C ATOM 973 C GLU A 67 -3.815 4.288 -2.239 1.00 0.00 C ATOM 974 O GLU A 67 -3.099 3.887 -3.161 1.00 0.00 O ATOM 975 CB GLU A 67 -3.409 6.639 -1.490 1.00 0.00 C ATOM 976 CG GLU A 67 -3.907 8.077 -1.619 1.00 0.00 C ATOM 977 CD GLU A 67 -3.131 8.980 -0.668 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.353 8.453 0.111 1.00 0.00 O ATOM 979 OE2 GLU A 67 -3.342 10.180 -0.716 1.00 0.00 O ATOM 0 H GLU A 67 -5.658 6.157 -0.622 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.512 6.067 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.334 6.362 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.410 6.549 -1.916 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.784 8.423 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.972 8.124 -1.392 1.00 0.00 H new ATOM 986 N PHE A 68 -4.157 3.547 -1.194 1.00 0.00 N ATOM 987 CA PHE A 68 -3.722 2.173 -1.055 1.00 0.00 C ATOM 988 C PHE A 68 -4.509 1.256 -2.005 1.00 0.00 C ATOM 989 O PHE A 68 -3.971 0.270 -2.502 1.00 0.00 O ATOM 990 CB PHE A 68 -3.860 1.756 0.417 1.00 0.00 C ATOM 991 CG PHE A 68 -3.775 0.265 0.576 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.526 -0.365 0.641 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.946 -0.479 0.729 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.456 -1.744 0.865 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.874 -1.855 0.938 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.633 -2.488 1.011 1.00 0.00 C ATOM 0 H PHE A 68 -4.739 3.882 -0.427 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.674 2.079 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.076 2.231 1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.813 2.111 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.621 0.211 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.907 0.011 0.685 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.495 -2.234 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.781 -2.432 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.580 -3.553 1.180 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.760 1.619 -2.302 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.581 0.841 -3.248 1.00 0.00 C ATOM 1008 C LEU A 69 -6.034 1.000 -4.670 1.00 0.00 C ATOM 1009 O LEU A 69 -6.083 0.066 -5.472 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.053 1.310 -3.216 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.855 0.524 -2.150 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.009 1.390 -1.636 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.430 -0.773 -2.767 1.00 0.00 C ATOM 0 H LEU A 69 -6.227 2.436 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.538 -0.207 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.095 2.377 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.506 1.168 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.189 0.267 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.573 0.836 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.610 2.301 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.666 1.650 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.992 -1.318 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.090 -0.520 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.613 -1.396 -3.131 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.488 2.185 -4.952 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.892 2.467 -6.264 1.00 0.00 C ATOM 1027 C ASN A 70 -3.633 1.631 -6.436 1.00 0.00 C ATOM 1028 O ASN A 70 -3.384 1.021 -7.473 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.500 3.942 -6.336 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.728 4.813 -6.543 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -6.076 5.654 -5.609 1.00 0.00 O flip ATOM 1032 ND2 ASN A 70 -6.390 4.721 -7.576 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.445 2.963 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.614 2.229 -7.045 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.991 4.234 -5.417 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.796 4.097 -7.153 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.112 4.061 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.216 5.305 -7.706 1.00 0.00 H new ATOM 1039 N LEU A 71 -2.857 1.638 -5.369 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.594 0.922 -5.272 1.00 0.00 C ATOM 1041 C LEU A 71 -1.792 -0.580 -5.449 1.00 0.00 C ATOM 1042 O LEU A 71 -1.065 -1.242 -6.200 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.084 1.262 -3.873 1.00 0.00 C ATOM 1044 CG LEU A 71 0.025 0.347 -3.371 1.00 0.00 C ATOM 1045 CD1 LEU A 71 1.217 0.383 -4.313 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.459 0.859 -1.990 1.00 0.00 C ATOM 0 H LEU A 71 -3.092 2.155 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.888 1.209 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.720 2.289 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.919 1.219 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.338 -0.679 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.998 -0.277 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.908 0.051 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.601 1.401 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.255 0.224 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.822 1.883 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.392 0.834 -1.309 1.00 0.00 H new ATOM 1058 N MET A 72 -2.796 -1.097 -4.771 1.00 0.00 N ATOM 1059 CA MET A 72 -3.127 -2.506 -4.849 1.00 0.00 C ATOM 1060 C MET A 72 -3.913 -2.812 -6.125 1.00 0.00 C ATOM 1061 O MET A 72 -3.875 -3.932 -6.631 1.00 0.00 O ATOM 1062 CB MET A 72 -3.977 -2.889 -3.652 1.00 0.00 C ATOM 1063 CG MET A 72 -3.179 -2.754 -2.357 1.00 0.00 C ATOM 1064 SD MET A 72 -1.750 -3.866 -2.355 1.00 0.00 S ATOM 1065 CE MET A 72 -2.628 -5.385 -1.916 1.00 0.00 C ATOM 0 H MET A 72 -3.402 -0.557 -4.154 1.00 0.00 H new ATOM 0 HA MET A 72 -2.198 -3.077 -4.858 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.860 -2.252 -3.609 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.329 -3.915 -3.763 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.843 -1.724 -2.239 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.821 -2.979 -1.505 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.318 -5.711 -0.923 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.702 -5.198 -1.917 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.395 -6.163 -2.643 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.621 -1.811 -6.645 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.402 -1.995 -7.865 1.00 0.00 C ATOM 1077 C ALA A 73 -4.482 -2.148 -9.070 1.00 0.00 C ATOM 1078 O ALA A 73 -4.742 -2.942 -9.975 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.327 -0.797 -8.089 1.00 0.00 C ATOM 0 H ALA A 73 -4.670 -0.874 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.999 -2.900 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.903 -0.948 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.007 -0.699 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.731 0.111 -8.182 1.00 0.00 H new