USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 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= -4.67! C(o=-4.7!,f=-15!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 THR OG1 : rot -57:sc= -1.97! USER MOD Set 2.2: A 8 GLN : amide:sc= -2.84! C(o=-4.8!,f=-11!) USER MOD Single : A 10 SER OG : rot 74:sc= 0.299 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -24:sc= -0.481! USER MOD Single : A 28 THR OG1 : rot -100:sc= -3.52 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 57:sc= 8.1e-05 USER MOD Single : A 36 MET CE :methyl -177:sc= 0 (180deg=-0.00564) USER MOD Single : A 38 SER OG : rot -27:sc= 0.485 USER MOD Single : A 41 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.29) USER MOD Single : A 42 ASN : amide:sc= -1.04 K(o=-1,f=-7.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 49 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.5) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.747 K(o=-0.75,f=-2.2!) USER MOD Single : A 70 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.0039) USER MOD Single : A 72 MET CE :methyl -145:sc= -0.171 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.720 -6.808 -5.672 1.00 0.00 N ATOM 62 CA THR A 5 -16.514 -7.303 -4.541 1.00 0.00 C ATOM 63 C THR A 5 -16.149 -6.582 -3.247 1.00 0.00 C ATOM 64 O THR A 5 -15.233 -5.764 -3.211 1.00 0.00 O ATOM 65 CB THR A 5 -16.287 -8.802 -4.338 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.017 -9.008 -3.736 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.344 -9.529 -5.682 1.00 0.00 C ATOM 0 HA THR A 5 -17.560 -7.111 -4.778 1.00 0.00 H new ATOM 0 HB THR A 5 -17.068 -9.199 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.321 -8.603 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.181 -10.595 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.322 -9.374 -6.138 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.570 -9.136 -6.341 1.00 0.00 H new ATOM 75 N ASP A 6 -16.867 -6.926 -2.180 1.00 0.00 N ATOM 76 CA ASP A 6 -16.605 -6.355 -0.869 1.00 0.00 C ATOM 77 C ASP A 6 -15.421 -7.068 -0.237 1.00 0.00 C ATOM 78 O ASP A 6 -14.718 -6.518 0.609 1.00 0.00 O ATOM 79 CB ASP A 6 -17.830 -6.517 0.026 1.00 0.00 C ATOM 80 CG ASP A 6 -18.304 -7.965 -0.006 1.00 0.00 C ATOM 81 OD1 ASP A 6 -17.719 -8.743 -0.742 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.253 -8.275 0.697 1.00 0.00 O ATOM 0 H ASP A 6 -17.634 -7.598 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.381 -5.294 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.586 -6.227 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.628 -5.856 -0.311 1.00 0.00 H new ATOM 87 N GLU A 7 -15.227 -8.312 -0.655 1.00 0.00 N ATOM 88 CA GLU A 7 -14.149 -9.131 -0.132 1.00 0.00 C ATOM 89 C GLU A 7 -12.798 -8.528 -0.470 1.00 0.00 C ATOM 90 O GLU A 7 -11.921 -8.450 0.378 1.00 0.00 O ATOM 91 CB GLU A 7 -14.230 -10.536 -0.727 1.00 0.00 C ATOM 92 CG GLU A 7 -15.449 -11.268 -0.168 1.00 0.00 C ATOM 93 CD GLU A 7 -15.589 -12.627 -0.845 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.779 -12.920 -1.709 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.502 -13.352 -0.490 1.00 0.00 O ATOM 0 H GLU A 7 -15.805 -8.774 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.254 -9.178 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.297 -10.477 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.322 -11.092 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.345 -11.397 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.348 -10.675 -0.333 1.00 0.00 H new ATOM 102 N GLN A 8 -12.639 -8.093 -1.707 1.00 0.00 N ATOM 103 CA GLN A 8 -11.386 -7.492 -2.130 1.00 0.00 C ATOM 104 C GLN A 8 -11.206 -6.134 -1.466 1.00 0.00 C ATOM 105 O GLN A 8 -10.090 -5.649 -1.286 1.00 0.00 O ATOM 106 CB GLN A 8 -11.367 -7.345 -3.662 1.00 0.00 C ATOM 107 CG GLN A 8 -11.124 -8.718 -4.318 1.00 0.00 C ATOM 108 CD GLN A 8 -12.438 -9.490 -4.440 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.255 -9.192 -5.311 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.691 -10.468 -3.612 1.00 0.00 N ATOM 0 H GLN A 8 -13.355 -8.144 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.562 -8.138 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.313 -6.929 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.585 -6.647 -3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.681 -8.583 -5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.412 -9.291 -3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.013 -10.714 -2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.567 -10.986 -3.687 1.00 0.00 H new ATOM 119 N ILE A 9 -12.319 -5.549 -1.065 1.00 0.00 N ATOM 120 CA ILE A 9 -12.286 -4.258 -0.391 1.00 0.00 C ATOM 121 C ILE A 9 -12.016 -4.442 1.099 1.00 0.00 C ATOM 122 O ILE A 9 -11.073 -3.869 1.645 1.00 0.00 O ATOM 123 CB ILE A 9 -13.607 -3.531 -0.609 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.750 -3.193 -2.096 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.613 -2.239 0.209 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.166 -2.687 -2.373 1.00 0.00 C ATOM 0 H ILE A 9 -13.252 -5.941 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.479 -3.658 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.436 -4.165 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.020 -2.434 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.543 -4.076 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.557 -1.716 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.498 -2.477 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.789 -1.602 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.266 -2.447 -3.432 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.887 -3.460 -2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.356 -1.793 -1.779 1.00 0.00 H new ATOM 138 N SER A 10 -12.849 -5.219 1.764 1.00 0.00 N ATOM 139 CA SER A 10 -12.672 -5.435 3.174 1.00 0.00 C ATOM 140 C SER A 10 -11.292 -6.028 3.446 1.00 0.00 C ATOM 141 O SER A 10 -10.618 -5.637 4.399 1.00 0.00 O ATOM 142 CB SER A 10 -13.754 -6.374 3.683 1.00 0.00 C ATOM 143 OG SER A 10 -15.029 -5.781 3.468 1.00 0.00 O ATOM 0 H SER A 10 -13.645 -5.704 1.350 1.00 0.00 H new ATOM 0 HA SER A 10 -12.749 -4.481 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.694 -7.332 3.166 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.608 -6.575 4.744 1.00 0.00 H new ATOM 0 HG SER A 10 -15.253 -5.824 2.515 1.00 0.00 H new ATOM 149 N GLU A 11 -10.863 -6.961 2.594 1.00 0.00 N ATOM 150 CA GLU A 11 -9.555 -7.578 2.761 1.00 0.00 C ATOM 151 C GLU A 11 -8.465 -6.542 2.551 1.00 0.00 C ATOM 152 O GLU A 11 -7.453 -6.529 3.260 1.00 0.00 O ATOM 153 CB GLU A 11 -9.375 -8.722 1.756 1.00 0.00 C ATOM 154 CG GLU A 11 -10.264 -9.916 2.136 1.00 0.00 C ATOM 155 CD GLU A 11 -10.194 -10.981 1.046 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.435 -10.794 0.106 1.00 0.00 O ATOM 157 OE2 GLU A 11 -10.900 -11.969 1.162 1.00 0.00 O ATOM 0 H GLU A 11 -11.397 -7.299 1.793 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.485 -7.979 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.628 -8.377 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.330 -9.032 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.938 -10.335 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.294 -9.586 2.269 1.00 0.00 H new ATOM 164 N PHE A 12 -8.688 -5.637 1.597 1.00 0.00 N ATOM 165 CA PHE A 12 -7.736 -4.572 1.318 1.00 0.00 C ATOM 166 C PHE A 12 -7.587 -3.670 2.543 1.00 0.00 C ATOM 167 O PHE A 12 -6.481 -3.310 2.945 1.00 0.00 O ATOM 168 CB PHE A 12 -8.274 -3.753 0.114 1.00 0.00 C ATOM 169 CG PHE A 12 -7.722 -4.291 -1.194 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.535 -5.664 -1.337 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.392 -3.430 -2.256 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.026 -6.185 -2.521 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.888 -3.955 -3.446 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.704 -5.336 -3.577 1.00 0.00 C ATOM 0 H PHE A 12 -9.520 -5.624 1.007 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.757 -4.990 1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.363 -3.794 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.996 -2.705 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.787 -6.328 -0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.529 -2.364 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.880 -7.250 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.640 -3.296 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.312 -5.744 -4.497 1.00 0.00 H new ATOM 184 N LYS A 13 -8.727 -3.329 3.117 1.00 0.00 N ATOM 185 CA LYS A 13 -8.785 -2.473 4.294 1.00 0.00 C ATOM 186 C LYS A 13 -8.102 -3.110 5.500 1.00 0.00 C ATOM 187 O LYS A 13 -7.379 -2.436 6.233 1.00 0.00 O ATOM 188 CB LYS A 13 -10.265 -2.194 4.608 1.00 0.00 C ATOM 189 CG LYS A 13 -10.682 -0.826 4.061 1.00 0.00 C ATOM 190 CD LYS A 13 -12.006 -0.410 4.701 1.00 0.00 C ATOM 191 CE LYS A 13 -13.140 -1.305 4.194 1.00 0.00 C ATOM 192 NZ LYS A 13 -14.447 -0.722 4.602 1.00 0.00 N ATOM 0 H LYS A 13 -9.640 -3.636 2.782 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.251 -1.546 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.889 -2.973 4.169 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.426 -2.226 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.912 -0.085 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.787 -0.871 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.933 -0.482 5.786 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.221 0.632 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.091 -1.393 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.035 -2.311 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.220 -1.328 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.491 -0.659 5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.546 0.229 4.193 1.00 0.00 H new ATOM 206 N GLU A 14 -8.326 -4.398 5.699 1.00 0.00 N ATOM 207 CA GLU A 14 -7.700 -5.092 6.817 1.00 0.00 C ATOM 208 C GLU A 14 -6.185 -5.066 6.626 1.00 0.00 C ATOM 209 O GLU A 14 -5.428 -4.828 7.565 1.00 0.00 O ATOM 210 CB GLU A 14 -8.189 -6.546 6.882 1.00 0.00 C ATOM 211 CG GLU A 14 -9.655 -6.592 7.330 1.00 0.00 C ATOM 212 CD GLU A 14 -9.766 -6.148 8.783 1.00 0.00 C ATOM 213 OE1 GLU A 14 -8.756 -6.182 9.468 1.00 0.00 O ATOM 214 OE2 GLU A 14 -10.859 -5.797 9.197 1.00 0.00 O ATOM 0 H GLU A 14 -8.926 -4.978 5.113 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.968 -4.594 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.085 -7.016 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.571 -7.115 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.259 -5.944 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.047 -7.603 7.218 1.00 0.00 H new ATOM 221 N ALA A 15 -5.763 -5.290 5.382 1.00 0.00 N ATOM 222 CA ALA A 15 -4.346 -5.281 5.035 1.00 0.00 C ATOM 223 C ALA A 15 -3.727 -3.930 5.375 1.00 0.00 C ATOM 224 O ALA A 15 -2.644 -3.844 5.954 1.00 0.00 O ATOM 225 CB ALA A 15 -4.189 -5.540 3.532 1.00 0.00 C ATOM 0 H ALA A 15 -6.386 -5.480 4.597 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.839 -6.060 5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.131 -5.534 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.619 -6.510 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.706 -4.760 2.972 1.00 0.00 H new ATOM 231 N PHE A 16 -4.407 -2.865 4.981 1.00 0.00 N ATOM 232 CA PHE A 16 -3.925 -1.521 5.216 1.00 0.00 C ATOM 233 C PHE A 16 -3.917 -1.125 6.704 1.00 0.00 C ATOM 234 O PHE A 16 -2.926 -0.578 7.192 1.00 0.00 O ATOM 235 CB PHE A 16 -4.789 -0.560 4.405 1.00 0.00 C ATOM 236 CG PHE A 16 -4.332 0.854 4.643 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.816 1.568 5.740 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.424 1.448 3.764 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.393 2.884 5.955 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.001 2.760 3.975 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.486 3.482 5.069 1.00 0.00 C ATOM 0 H PHE A 16 -5.302 -2.911 4.493 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.883 -1.472 4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.721 -0.801 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.836 -0.667 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.515 1.106 6.421 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.049 0.890 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.765 3.439 6.803 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.299 3.218 3.294 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.162 4.499 5.232 1.00 0.00 H new ATOM 251 N SER A 17 -4.995 -1.410 7.440 1.00 0.00 N ATOM 252 CA SER A 17 -5.022 -1.064 8.868 1.00 0.00 C ATOM 253 C SER A 17 -3.945 -1.856 9.582 1.00 0.00 C ATOM 254 O SER A 17 -3.309 -1.378 10.521 1.00 0.00 O ATOM 255 CB SER A 17 -6.390 -1.367 9.501 1.00 0.00 C ATOM 256 OG SER A 17 -6.687 -2.751 9.380 1.00 0.00 O ATOM 0 H SER A 17 -5.837 -1.865 7.087 1.00 0.00 H new ATOM 0 HA SER A 17 -4.842 0.006 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.385 -1.078 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.165 -0.777 9.012 1.00 0.00 H new ATOM 0 HG SER A 17 -7.559 -2.935 9.787 1.00 0.00 H new ATOM 262 N LEU A 18 -3.732 -3.058 9.088 1.00 0.00 N ATOM 263 CA LEU A 18 -2.723 -3.956 9.613 1.00 0.00 C ATOM 264 C LEU A 18 -1.347 -3.330 9.425 1.00 0.00 C ATOM 265 O LEU A 18 -0.494 -3.401 10.311 1.00 0.00 O ATOM 266 CB LEU A 18 -2.865 -5.273 8.834 1.00 0.00 C ATOM 267 CG LEU A 18 -1.801 -6.311 9.195 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.997 -6.789 10.636 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.970 -7.494 8.233 1.00 0.00 C ATOM 0 H LEU A 18 -4.259 -3.443 8.304 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.846 -4.143 10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.852 -5.694 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.809 -5.063 7.766 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.804 -5.879 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.234 -7.528 10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.913 -5.941 11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.984 -7.240 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.226 -8.257 8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.969 -7.916 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.836 -7.151 7.207 1.00 0.00 H new ATOM 281 N PHE A 19 -1.151 -2.692 8.271 1.00 0.00 N ATOM 282 CA PHE A 19 0.120 -2.036 7.984 1.00 0.00 C ATOM 283 C PHE A 19 0.264 -0.747 8.786 1.00 0.00 C ATOM 284 O PHE A 19 1.371 -0.236 8.946 1.00 0.00 O ATOM 285 CB PHE A 19 0.253 -1.713 6.483 1.00 0.00 C ATOM 286 CG PHE A 19 0.327 -2.981 5.639 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.070 -4.101 6.058 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.345 -3.027 4.406 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.127 -5.244 5.261 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.284 -4.179 3.612 1.00 0.00 C ATOM 291 CZ PHE A 19 0.451 -5.288 4.040 1.00 0.00 C ATOM 0 H PHE A 19 -1.848 -2.617 7.530 1.00 0.00 H new ATOM 0 HA PHE A 19 0.911 -2.729 8.272 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.598 -1.112 6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.148 -1.113 6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.598 -4.075 7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.911 -2.171 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.697 -6.100 5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.806 -4.210 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.496 -6.177 3.428 1.00 0.00 H new ATOM 301 N ASP A 20 -0.852 -0.222 9.276 1.00 0.00 N ATOM 302 CA ASP A 20 -0.828 1.023 10.052 1.00 0.00 C ATOM 303 C ASP A 20 -0.561 0.750 11.536 1.00 0.00 C ATOM 304 O ASP A 20 -1.469 0.832 12.365 1.00 0.00 O ATOM 305 CB ASP A 20 -2.168 1.746 9.902 1.00 0.00 C ATOM 306 CG ASP A 20 -2.025 3.201 10.324 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.054 3.511 10.997 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.887 3.985 9.966 1.00 0.00 O ATOM 0 H ASP A 20 -1.779 -0.630 9.155 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.020 1.646 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.507 1.691 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.926 1.255 10.512 1.00 0.00 H new ATOM 313 N LYS A 21 0.688 0.417 11.868 1.00 0.00 N ATOM 314 CA LYS A 21 1.051 0.117 13.255 1.00 0.00 C ATOM 315 C LYS A 21 0.453 1.143 14.219 1.00 0.00 C ATOM 316 O LYS A 21 0.059 0.803 15.335 1.00 0.00 O ATOM 317 CB LYS A 21 2.577 0.105 13.431 1.00 0.00 C ATOM 318 CG LYS A 21 3.188 -1.079 12.670 1.00 0.00 C ATOM 319 CD LYS A 21 4.720 -1.012 12.759 1.00 0.00 C ATOM 320 CE LYS A 21 5.178 -1.491 14.140 1.00 0.00 C ATOM 321 NZ LYS A 21 6.652 -1.690 14.140 1.00 0.00 N ATOM 0 H LYS A 21 1.458 0.349 11.203 1.00 0.00 H new ATOM 0 HA LYS A 21 0.648 -0.869 13.485 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.000 1.040 13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.828 0.035 14.489 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.830 -2.019 13.090 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.873 -1.056 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.167 -1.632 11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.060 0.009 12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.900 -0.760 14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.676 -2.424 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.958 -2.015 15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.906 -2.403 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.124 -0.791 13.914 1.00 0.00 H new ATOM 335 N ASP A 22 0.402 2.401 13.792 1.00 0.00 N ATOM 336 CA ASP A 22 -0.135 3.464 14.639 1.00 0.00 C ATOM 337 C ASP A 22 -1.645 3.603 14.469 1.00 0.00 C ATOM 338 O ASP A 22 -2.335 4.103 15.359 1.00 0.00 O ATOM 339 CB ASP A 22 0.541 4.789 14.283 1.00 0.00 C ATOM 340 CG ASP A 22 2.056 4.640 14.380 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.525 4.215 15.421 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.725 4.955 13.408 1.00 0.00 O ATOM 0 H ASP A 22 0.722 2.709 12.874 1.00 0.00 H new ATOM 0 HA ASP A 22 0.068 3.205 15.678 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.260 5.091 13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.200 5.574 14.958 1.00 0.00 H new ATOM 347 N GLY A 23 -2.152 3.162 13.321 1.00 0.00 N ATOM 348 CA GLY A 23 -3.583 3.247 13.048 1.00 0.00 C ATOM 349 C GLY A 23 -4.014 4.701 12.851 1.00 0.00 C ATOM 350 O GLY A 23 -5.189 5.033 13.009 1.00 0.00 O ATOM 0 H GLY A 23 -1.599 2.746 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.822 2.668 12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.142 2.806 13.873 1.00 0.00 H new ATOM 354 N ASP A 24 -3.052 5.561 12.514 1.00 0.00 N ATOM 355 CA ASP A 24 -3.336 6.981 12.311 1.00 0.00 C ATOM 356 C ASP A 24 -3.932 7.229 10.934 1.00 0.00 C ATOM 357 O ASP A 24 -4.263 8.365 10.587 1.00 0.00 O ATOM 358 CB ASP A 24 -2.054 7.802 12.465 1.00 0.00 C ATOM 359 CG ASP A 24 -0.969 7.263 11.540 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.208 6.256 10.897 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.091 7.871 11.483 1.00 0.00 O ATOM 0 H ASP A 24 -2.075 5.301 12.377 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.061 7.288 13.065 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.253 8.848 12.233 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.712 7.765 13.499 1.00 0.00 H new ATOM 366 N GLY A 25 -4.072 6.166 10.152 1.00 0.00 N ATOM 367 CA GLY A 25 -4.635 6.289 8.815 1.00 0.00 C ATOM 368 C GLY A 25 -3.573 6.723 7.807 1.00 0.00 C ATOM 369 O GLY A 25 -3.896 7.334 6.788 1.00 0.00 O ATOM 0 H GLY A 25 -3.806 5.218 10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.063 5.335 8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.449 7.014 8.825 1.00 0.00 H new ATOM 373 N CYS A 26 -2.310 6.407 8.092 1.00 0.00 N ATOM 374 CA CYS A 26 -1.218 6.773 7.187 1.00 0.00 C ATOM 375 C CYS A 26 -0.064 5.778 7.289 1.00 0.00 C ATOM 376 O CYS A 26 0.388 5.445 8.379 1.00 0.00 O ATOM 377 CB CYS A 26 -0.701 8.181 7.512 1.00 0.00 C ATOM 378 SG CYS A 26 -2.095 9.334 7.606 1.00 0.00 S ATOM 0 H CYS A 26 -2.019 5.905 8.931 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.611 6.755 6.171 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.160 8.171 8.458 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.002 8.507 6.746 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.089 8.871 6.908 1.00 0.00 H new ATOM 384 N ILE A 27 0.418 5.323 6.134 1.00 0.00 N ATOM 385 CA ILE A 27 1.543 4.387 6.082 1.00 0.00 C ATOM 386 C ILE A 27 2.774 5.183 5.724 1.00 0.00 C ATOM 387 O ILE A 27 2.674 6.159 4.981 1.00 0.00 O ATOM 388 CB ILE A 27 1.318 3.303 5.004 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.164 2.906 4.963 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.164 2.056 5.307 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.519 2.105 6.217 1.00 0.00 C ATOM 0 H ILE A 27 0.048 5.586 5.221 1.00 0.00 H new ATOM 0 HA ILE A 27 1.648 3.889 7.046 1.00 0.00 H new ATOM 0 HB ILE A 27 1.618 3.712 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.788 3.798 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.367 2.313 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.992 1.304 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.220 2.327 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.881 1.652 6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.572 1.825 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.095 1.205 6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.333 2.713 7.102 1.00 0.00 H new ATOM 403 N THR A 28 3.928 4.778 6.222 1.00 0.00 N ATOM 404 CA THR A 28 5.155 5.489 5.904 1.00 0.00 C ATOM 405 C THR A 28 6.164 4.477 5.371 1.00 0.00 C ATOM 406 O THR A 28 5.932 3.277 5.456 1.00 0.00 O ATOM 407 CB THR A 28 5.674 6.233 7.142 1.00 0.00 C ATOM 408 OG1 THR A 28 5.734 5.341 8.237 1.00 0.00 O ATOM 409 CG2 THR A 28 4.727 7.393 7.494 1.00 0.00 C ATOM 0 H THR A 28 4.043 3.974 6.839 1.00 0.00 H new ATOM 0 HA THR A 28 4.979 6.245 5.139 1.00 0.00 H new ATOM 0 HB THR A 28 6.667 6.627 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.950 5.474 8.810 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.103 7.915 8.374 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.674 8.087 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.732 7.000 7.703 1.00 0.00 H new ATOM 417 N THR A 29 7.264 4.950 4.794 1.00 0.00 N ATOM 418 CA THR A 29 8.260 4.044 4.232 1.00 0.00 C ATOM 419 C THR A 29 8.798 3.092 5.306 1.00 0.00 C ATOM 420 O THR A 29 9.169 1.956 5.016 1.00 0.00 O ATOM 421 CB THR A 29 9.415 4.852 3.641 1.00 0.00 C ATOM 422 OG1 THR A 29 10.052 5.593 4.670 1.00 0.00 O ATOM 423 CG2 THR A 29 8.865 5.812 2.582 1.00 0.00 C ATOM 0 H THR A 29 7.487 5.941 4.704 1.00 0.00 H new ATOM 0 HA THR A 29 7.785 3.452 3.449 1.00 0.00 H new ATOM 0 HB THR A 29 10.139 4.177 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.793 6.109 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.684 6.392 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.376 5.241 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.144 6.487 3.042 1.00 0.00 H new ATOM 431 N LYS A 30 8.825 3.568 6.542 1.00 0.00 N ATOM 432 CA LYS A 30 9.309 2.766 7.660 1.00 0.00 C ATOM 433 C LYS A 30 8.373 1.596 7.931 1.00 0.00 C ATOM 434 O LYS A 30 8.805 0.448 8.013 1.00 0.00 O ATOM 435 CB LYS A 30 9.422 3.635 8.920 1.00 0.00 C ATOM 436 CG LYS A 30 8.201 4.549 9.045 1.00 0.00 C ATOM 437 CD LYS A 30 8.359 5.443 10.271 1.00 0.00 C ATOM 438 CE LYS A 30 7.136 6.357 10.412 1.00 0.00 C ATOM 439 NZ LYS A 30 7.305 7.248 11.598 1.00 0.00 N ATOM 0 H LYS A 30 8.518 4.506 6.798 1.00 0.00 H new ATOM 0 HA LYS A 30 10.292 2.374 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.501 3.000 9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.331 4.235 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.097 5.159 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.293 3.952 9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.472 4.831 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.264 6.044 10.180 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.012 6.956 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.233 5.757 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.473 7.866 11.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.402 6.669 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.157 7.831 11.476 1.00 0.00 H new ATOM 453 N GLU A 31 7.096 1.907 8.023 1.00 0.00 N ATOM 454 CA GLU A 31 6.079 0.905 8.246 1.00 0.00 C ATOM 455 C GLU A 31 5.988 0.008 7.028 1.00 0.00 C ATOM 456 O GLU A 31 6.027 -1.221 7.129 1.00 0.00 O ATOM 457 CB GLU A 31 4.740 1.611 8.473 1.00 0.00 C ATOM 458 CG GLU A 31 4.683 2.169 9.901 1.00 0.00 C ATOM 459 CD GLU A 31 3.369 2.911 10.115 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.579 2.957 9.187 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.173 3.423 11.204 1.00 0.00 O ATOM 0 H GLU A 31 6.737 2.859 7.945 1.00 0.00 H new ATOM 0 HA GLU A 31 6.328 0.299 9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.617 2.419 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.918 0.913 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.774 1.357 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.523 2.842 10.072 1.00 0.00 H new ATOM 468 N LEU A 32 5.913 0.640 5.875 1.00 0.00 N ATOM 469 CA LEU A 32 5.856 -0.085 4.629 1.00 0.00 C ATOM 470 C LEU A 32 7.132 -0.898 4.519 1.00 0.00 C ATOM 471 O LEU A 32 7.105 -2.081 4.187 1.00 0.00 O ATOM 472 CB LEU A 32 5.717 0.905 3.457 1.00 0.00 C ATOM 473 CG LEU A 32 5.656 0.155 2.106 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.441 -0.788 2.099 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.526 1.154 0.935 1.00 0.00 C ATOM 0 H LEU A 32 5.890 1.655 5.778 1.00 0.00 H new ATOM 0 HA LEU A 32 4.993 -0.750 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.815 1.504 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.561 1.595 3.457 1.00 0.00 H new ATOM 0 HG LEU A 32 6.576 -0.417 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.397 -1.317 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.535 -1.509 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.529 -0.207 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.485 0.607 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.614 1.739 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.387 1.822 0.929 1.00 0.00 H new ATOM 487 N GLY A 33 8.242 -0.262 4.856 1.00 0.00 N ATOM 488 CA GLY A 33 9.514 -0.947 4.832 1.00 0.00 C ATOM 489 C GLY A 33 9.518 -2.099 5.831 1.00 0.00 C ATOM 490 O GLY A 33 10.004 -3.182 5.517 1.00 0.00 O ATOM 0 H GLY A 33 8.284 0.715 5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.711 -1.326 3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.315 -0.248 5.071 1.00 0.00 H new ATOM 494 N THR A 34 8.949 -1.875 7.021 1.00 0.00 N ATOM 495 CA THR A 34 8.893 -2.936 8.035 1.00 0.00 C ATOM 496 C THR A 34 8.333 -4.185 7.384 1.00 0.00 C ATOM 497 O THR A 34 8.826 -5.302 7.563 1.00 0.00 O ATOM 498 CB THR A 34 7.963 -2.501 9.180 1.00 0.00 C ATOM 499 OG1 THR A 34 8.304 -1.188 9.597 1.00 0.00 O ATOM 500 CG2 THR A 34 8.086 -3.455 10.368 1.00 0.00 C ATOM 0 H THR A 34 8.529 -0.989 7.303 1.00 0.00 H new ATOM 0 HA THR A 34 9.889 -3.129 8.434 1.00 0.00 H new ATOM 0 HB THR A 34 6.935 -2.521 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.251 -0.578 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.420 -3.129 11.167 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.812 -4.463 10.055 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.114 -3.455 10.730 1.00 0.00 H new ATOM 508 N VAL A 35 7.272 -3.957 6.651 1.00 0.00 N ATOM 509 CA VAL A 35 6.571 -5.015 5.954 1.00 0.00 C ATOM 510 C VAL A 35 7.399 -5.563 4.795 1.00 0.00 C ATOM 511 O VAL A 35 7.682 -6.758 4.744 1.00 0.00 O ATOM 512 CB VAL A 35 5.240 -4.444 5.467 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.532 -5.421 4.530 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.362 -4.147 6.684 1.00 0.00 C ATOM 0 H VAL A 35 6.866 -3.031 6.518 1.00 0.00 H new ATOM 0 HA VAL A 35 6.396 -5.855 6.626 1.00 0.00 H new ATOM 0 HB VAL A 35 5.426 -3.528 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.588 -4.988 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.164 -5.618 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.338 -6.355 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.407 -3.738 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.189 -5.068 7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.863 -3.423 7.326 1.00 0.00 H new ATOM 524 N MET A 36 7.811 -4.696 3.883 1.00 0.00 N ATOM 525 CA MET A 36 8.613 -5.143 2.743 1.00 0.00 C ATOM 526 C MET A 36 9.837 -5.901 3.235 1.00 0.00 C ATOM 527 O MET A 36 10.185 -6.979 2.732 1.00 0.00 O ATOM 528 CB MET A 36 9.033 -3.917 1.923 1.00 0.00 C ATOM 529 CG MET A 36 7.787 -3.261 1.300 1.00 0.00 C ATOM 530 SD MET A 36 7.033 -4.381 0.093 1.00 0.00 S ATOM 531 CE MET A 36 8.063 -3.924 -1.323 1.00 0.00 C ATOM 0 H MET A 36 7.611 -3.696 3.903 1.00 0.00 H new ATOM 0 HA MET A 36 8.026 -5.814 2.115 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.553 -3.202 2.560 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.731 -4.212 1.140 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.067 -3.016 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.063 -2.324 0.816 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.728 -4.467 -2.207 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.980 -2.852 -1.503 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.102 -4.177 -1.114 1.00 0.00 H new ATOM 541 N ARG A 37 10.472 -5.329 4.247 1.00 0.00 N ATOM 542 CA ARG A 37 11.660 -5.921 4.876 1.00 0.00 C ATOM 543 C ARG A 37 11.374 -7.338 5.316 1.00 0.00 C ATOM 544 O ARG A 37 12.159 -8.260 5.083 1.00 0.00 O ATOM 545 CB ARG A 37 12.008 -5.102 6.131 1.00 0.00 C ATOM 546 CG ARG A 37 13.294 -5.616 6.793 1.00 0.00 C ATOM 547 CD ARG A 37 13.660 -4.686 7.958 1.00 0.00 C ATOM 548 NE ARG A 37 12.668 -4.800 9.023 1.00 0.00 N ATOM 549 CZ ARG A 37 12.740 -4.053 10.123 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.699 -3.178 10.260 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.848 -4.193 11.065 1.00 0.00 N ATOM 0 H ARG A 37 10.185 -4.442 4.661 1.00 0.00 H new ATOM 0 HA ARG A 37 12.479 -5.918 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.129 -4.053 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.184 -5.155 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.151 -6.634 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.106 -5.647 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.648 -4.942 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.712 -3.655 7.608 1.00 0.00 H new ATOM 0 HE ARG A 37 11.903 -5.467 8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.396 -3.065 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.752 -2.607 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.096 -4.874 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.902 -3.621 11.908 1.00 0.00 H new ATOM 565 N SER A 38 10.238 -7.479 5.970 1.00 0.00 N ATOM 566 CA SER A 38 9.804 -8.770 6.488 1.00 0.00 C ATOM 567 C SER A 38 9.201 -9.644 5.393 1.00 0.00 C ATOM 568 O SER A 38 8.915 -10.822 5.614 1.00 0.00 O ATOM 569 CB SER A 38 8.763 -8.559 7.587 1.00 0.00 C ATOM 570 OG SER A 38 8.387 -9.820 8.126 1.00 0.00 O ATOM 0 H SER A 38 9.592 -6.712 6.158 1.00 0.00 H new ATOM 0 HA SER A 38 10.682 -9.278 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.170 -7.922 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.889 -8.048 7.183 1.00 0.00 H new ATOM 0 HG SER A 38 8.504 -10.515 7.445 1.00 0.00 H new ATOM 576 N LEU A 39 8.983 -9.057 4.220 1.00 0.00 N ATOM 577 CA LEU A 39 8.381 -9.789 3.099 1.00 0.00 C ATOM 578 C LEU A 39 9.450 -10.380 2.176 1.00 0.00 C ATOM 579 O LEU A 39 9.249 -10.469 0.972 1.00 0.00 O ATOM 580 CB LEU A 39 7.449 -8.840 2.309 1.00 0.00 C ATOM 581 CG LEU A 39 6.194 -9.586 1.795 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.283 -8.624 1.023 1.00 0.00 C ATOM 583 CD2 LEU A 39 6.581 -10.752 0.871 1.00 0.00 C ATOM 0 H LEU A 39 9.211 -8.084 4.017 1.00 0.00 H new ATOM 0 HA LEU A 39 7.802 -10.621 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.146 -8.010 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.992 -8.412 1.466 1.00 0.00 H new ATOM 0 HG LEU A 39 5.667 -9.981 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.404 -9.162 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.970 -7.813 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.826 -8.213 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.679 -11.257 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.133 -10.369 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.205 -11.458 1.418 1.00 0.00 H new ATOM 595 N GLY A 40 10.573 -10.803 2.747 1.00 0.00 N ATOM 596 CA GLY A 40 11.638 -11.406 1.946 1.00 0.00 C ATOM 597 C GLY A 40 12.230 -10.408 0.961 1.00 0.00 C ATOM 598 O GLY A 40 13.119 -10.746 0.176 1.00 0.00 O ATOM 0 H GLY A 40 10.770 -10.742 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.423 -11.778 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.244 -12.265 1.403 1.00 0.00 H new ATOM 602 N GLN A 41 11.738 -9.177 1.009 1.00 0.00 N ATOM 603 CA GLN A 41 12.222 -8.121 0.125 1.00 0.00 C ATOM 604 C GLN A 41 13.162 -7.205 0.902 1.00 0.00 C ATOM 605 O GLN A 41 13.040 -7.077 2.121 1.00 0.00 O ATOM 606 CB GLN A 41 11.035 -7.312 -0.411 1.00 0.00 C ATOM 607 CG GLN A 41 10.161 -8.194 -1.308 1.00 0.00 C ATOM 608 CD GLN A 41 10.939 -8.605 -2.547 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.487 -7.751 -3.246 1.00 0.00 O ATOM 610 NE2 GLN A 41 11.030 -9.866 -2.857 1.00 0.00 N ATOM 0 H GLN A 41 11.002 -8.883 1.652 1.00 0.00 H new ATOM 0 HA GLN A 41 12.758 -8.565 -0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.444 -6.925 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.396 -6.451 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.840 -9.080 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.260 -7.653 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.574 -10.569 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.557 -10.152 -3.682 1.00 0.00 H new ATOM 619 N ASN A 42 14.107 -6.570 0.202 1.00 0.00 N ATOM 620 CA ASN A 42 15.067 -5.669 0.855 1.00 0.00 C ATOM 621 C ASN A 42 15.227 -4.369 0.072 1.00 0.00 C ATOM 622 O ASN A 42 16.304 -4.084 -0.447 1.00 0.00 O ATOM 623 CB ASN A 42 16.437 -6.349 0.962 1.00 0.00 C ATOM 624 CG ASN A 42 16.982 -6.647 -0.430 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.244 -6.580 -1.414 1.00 0.00 O ATOM 626 ND2 ASN A 42 18.239 -6.970 -0.577 1.00 0.00 N ATOM 0 H ASN A 42 14.229 -6.660 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 42 14.681 -5.440 1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.130 -5.705 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.350 -7.273 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.610 -7.167 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.850 -7.025 0.238 1.00 0.00 H new ATOM 633 N PRO A 43 14.192 -3.571 -0.020 1.00 0.00 N ATOM 634 CA PRO A 43 14.252 -2.275 -0.756 1.00 0.00 C ATOM 635 C PRO A 43 14.981 -1.207 0.047 1.00 0.00 C ATOM 636 O PRO A 43 15.006 -1.251 1.275 1.00 0.00 O ATOM 637 CB PRO A 43 12.781 -1.902 -0.930 1.00 0.00 C ATOM 638 CG PRO A 43 12.122 -2.475 0.276 1.00 0.00 C ATOM 639 CD PRO A 43 12.850 -3.795 0.556 1.00 0.00 C ATOM 0 HA PRO A 43 14.796 -2.355 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.646 -0.822 -0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.368 -2.321 -1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.201 -1.796 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.060 -2.643 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.901 -4.008 1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.346 -4.640 0.086 1.00 0.00 H new ATOM 647 N THR A 44 15.522 -0.214 -0.646 1.00 0.00 N ATOM 648 CA THR A 44 16.184 0.887 0.029 1.00 0.00 C ATOM 649 C THR A 44 15.165 1.992 0.240 1.00 0.00 C ATOM 650 O THR A 44 14.061 1.932 -0.297 1.00 0.00 O ATOM 651 CB THR A 44 17.370 1.393 -0.795 1.00 0.00 C ATOM 652 OG1 THR A 44 16.979 1.534 -2.149 1.00 0.00 O ATOM 653 CG2 THR A 44 18.526 0.391 -0.700 1.00 0.00 C ATOM 0 H THR A 44 15.515 -0.150 -1.664 1.00 0.00 H new ATOM 0 HA THR A 44 16.576 0.554 0.990 1.00 0.00 H new ATOM 0 HB THR A 44 17.694 2.359 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.738 1.860 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.370 0.753 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.829 0.282 0.341 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.202 -0.575 -1.087 1.00 0.00 H new ATOM 661 N GLU A 45 15.520 2.980 1.036 1.00 0.00 N ATOM 662 CA GLU A 45 14.598 4.066 1.322 1.00 0.00 C ATOM 663 C GLU A 45 14.183 4.810 0.053 1.00 0.00 C ATOM 664 O GLU A 45 13.058 5.298 -0.041 1.00 0.00 O ATOM 665 CB GLU A 45 15.239 5.035 2.306 1.00 0.00 C ATOM 666 CG GLU A 45 15.391 4.345 3.659 1.00 0.00 C ATOM 667 CD GLU A 45 16.128 5.265 4.622 1.00 0.00 C ATOM 668 OE1 GLU A 45 16.401 6.393 4.241 1.00 0.00 O ATOM 669 OE2 GLU A 45 16.422 4.827 5.720 1.00 0.00 O ATOM 0 H GLU A 45 16.429 3.056 1.493 1.00 0.00 H new ATOM 0 HA GLU A 45 13.698 3.634 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.213 5.357 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.625 5.930 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.410 4.091 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.939 3.410 3.542 1.00 0.00 H new ATOM 676 N ALA A 46 15.075 4.884 -0.932 1.00 0.00 N ATOM 677 CA ALA A 46 14.743 5.565 -2.182 1.00 0.00 C ATOM 678 C ALA A 46 13.583 4.856 -2.855 1.00 0.00 C ATOM 679 O ALA A 46 12.648 5.482 -3.358 1.00 0.00 O ATOM 680 CB ALA A 46 15.939 5.549 -3.130 1.00 0.00 C ATOM 0 H ALA A 46 16.015 4.490 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 46 14.474 6.596 -1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.676 6.060 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.781 6.058 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.215 4.518 -3.350 1.00 0.00 H new ATOM 686 N GLU A 47 13.677 3.537 -2.875 1.00 0.00 N ATOM 687 CA GLU A 47 12.671 2.701 -3.496 1.00 0.00 C ATOM 688 C GLU A 47 11.310 2.886 -2.833 1.00 0.00 C ATOM 689 O GLU A 47 10.306 3.091 -3.513 1.00 0.00 O ATOM 690 CB GLU A 47 13.151 1.250 -3.399 1.00 0.00 C ATOM 691 CG GLU A 47 14.387 1.084 -4.297 1.00 0.00 C ATOM 692 CD GLU A 47 13.972 0.969 -5.762 1.00 0.00 C ATOM 693 OE1 GLU A 47 12.829 1.262 -6.067 1.00 0.00 O ATOM 694 OE2 GLU A 47 14.806 0.574 -6.562 1.00 0.00 O ATOM 0 H GLU A 47 14.452 3.019 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 47 12.540 2.982 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.397 1.001 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.361 0.568 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.055 1.936 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.943 0.195 -4.000 1.00 0.00 H new ATOM 701 N LEU A 48 11.281 2.815 -1.504 1.00 0.00 N ATOM 702 CA LEU A 48 10.028 2.977 -0.760 1.00 0.00 C ATOM 703 C LEU A 48 9.434 4.365 -0.959 1.00 0.00 C ATOM 704 O LEU A 48 8.224 4.517 -1.139 1.00 0.00 O ATOM 705 CB LEU A 48 10.293 2.802 0.731 1.00 0.00 C ATOM 706 CG LEU A 48 10.965 1.461 0.978 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.274 1.337 2.474 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.045 0.311 0.518 1.00 0.00 C ATOM 0 H LEU A 48 12.102 2.648 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 48 9.330 2.227 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.928 3.610 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.356 2.858 1.286 1.00 0.00 H new ATOM 0 HG LEU A 48 11.892 1.399 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.757 0.379 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.939 2.146 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.346 1.397 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.538 -0.644 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.109 0.349 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.837 0.415 -0.547 1.00 0.00 H new ATOM 720 N GLN A 49 10.301 5.366 -0.935 1.00 0.00 N ATOM 721 CA GLN A 49 9.873 6.747 -1.116 1.00 0.00 C ATOM 722 C GLN A 49 9.346 6.931 -2.528 1.00 0.00 C ATOM 723 O GLN A 49 8.335 7.598 -2.755 1.00 0.00 O ATOM 724 CB GLN A 49 11.058 7.683 -0.884 1.00 0.00 C ATOM 725 CG GLN A 49 10.579 9.135 -0.877 1.00 0.00 C ATOM 726 CD GLN A 49 9.710 9.379 0.349 1.00 0.00 C ATOM 727 OE1 GLN A 49 9.979 8.826 1.416 1.00 0.00 O ATOM 728 NE2 GLN A 49 8.677 10.169 0.264 1.00 0.00 N ATOM 0 H GLN A 49 11.304 5.249 -0.792 1.00 0.00 H new ATOM 0 HA GLN A 49 9.084 6.981 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.540 7.445 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.804 7.541 -1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.434 9.811 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.013 9.347 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.456 10.626 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.090 10.330 1.082 1.00 0.00 H new ATOM 737 N ASP A 50 10.054 6.327 -3.473 1.00 0.00 N ATOM 738 CA ASP A 50 9.689 6.401 -4.867 1.00 0.00 C ATOM 739 C ASP A 50 8.346 5.712 -5.091 1.00 0.00 C ATOM 740 O ASP A 50 7.525 6.173 -5.882 1.00 0.00 O ATOM 741 CB ASP A 50 10.794 5.731 -5.684 1.00 0.00 C ATOM 742 CG ASP A 50 11.913 6.733 -5.958 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.944 7.751 -5.280 1.00 0.00 O ATOM 744 OD2 ASP A 50 12.714 6.476 -6.838 1.00 0.00 O ATOM 0 H ASP A 50 10.892 5.776 -3.288 1.00 0.00 H new ATOM 0 HA ASP A 50 9.583 7.439 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.188 4.870 -5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.389 5.358 -6.625 1.00 0.00 H new ATOM 749 N MET A 51 8.127 4.615 -4.372 1.00 0.00 N ATOM 750 CA MET A 51 6.873 3.879 -4.473 1.00 0.00 C ATOM 751 C MET A 51 5.724 4.779 -4.035 1.00 0.00 C ATOM 752 O MET A 51 4.660 4.807 -4.658 1.00 0.00 O ATOM 753 CB MET A 51 6.934 2.642 -3.575 1.00 0.00 C ATOM 754 CG MET A 51 5.646 1.833 -3.724 1.00 0.00 C ATOM 755 SD MET A 51 5.811 0.267 -2.827 1.00 0.00 S ATOM 756 CE MET A 51 6.406 -0.742 -4.210 1.00 0.00 C ATOM 0 H MET A 51 8.799 4.218 -3.716 1.00 0.00 H new ATOM 0 HA MET A 51 6.713 3.565 -5.505 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.794 2.028 -3.844 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.068 2.942 -2.536 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.800 2.400 -3.335 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.444 1.642 -4.778 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.574 -1.764 -3.869 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.662 -0.743 -5.006 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.340 -0.327 -4.588 1.00 0.00 H new ATOM 766 N ILE A 52 5.976 5.520 -2.961 1.00 0.00 N ATOM 767 CA ILE A 52 5.005 6.460 -2.402 1.00 0.00 C ATOM 768 C ILE A 52 4.741 7.602 -3.390 1.00 0.00 C ATOM 769 O ILE A 52 3.597 8.016 -3.582 1.00 0.00 O ATOM 770 CB ILE A 52 5.556 6.990 -1.064 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.315 5.951 0.032 1.00 0.00 C ATOM 772 CG2 ILE A 52 4.878 8.298 -0.657 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.007 6.389 1.323 1.00 0.00 C ATOM 0 H ILE A 52 6.859 5.487 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 52 4.053 5.960 -2.224 1.00 0.00 H new ATOM 0 HB ILE A 52 6.622 7.176 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.245 5.832 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.696 4.980 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.291 8.642 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.052 9.052 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.806 8.133 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.832 5.645 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.078 6.485 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.605 7.350 1.643 1.00 0.00 H new ATOM 785 N ASN A 53 5.815 8.110 -3.993 1.00 0.00 N ATOM 786 CA ASN A 53 5.723 9.219 -4.944 1.00 0.00 C ATOM 787 C ASN A 53 4.920 8.862 -6.208 1.00 0.00 C ATOM 788 O ASN A 53 4.153 9.689 -6.698 1.00 0.00 O ATOM 789 CB ASN A 53 7.134 9.668 -5.328 1.00 0.00 C ATOM 790 CG ASN A 53 7.061 10.784 -6.363 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.023 11.426 -6.511 1.00 0.00 O ATOM 792 ND2 ASN A 53 8.108 11.053 -7.092 1.00 0.00 N ATOM 0 H ASN A 53 6.764 7.770 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 53 5.184 10.029 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.668 10.015 -4.443 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.697 8.825 -5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.067 11.798 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.968 10.519 -6.967 1.00 0.00 H new ATOM 799 N GLU A 54 5.087 7.648 -6.739 1.00 0.00 N ATOM 800 CA GLU A 54 4.360 7.237 -7.935 1.00 0.00 C ATOM 801 C GLU A 54 2.863 7.248 -7.666 1.00 0.00 C ATOM 802 O GLU A 54 2.049 7.620 -8.514 1.00 0.00 O ATOM 803 CB GLU A 54 4.828 5.825 -8.310 1.00 0.00 C ATOM 804 CG GLU A 54 3.978 5.253 -9.436 1.00 0.00 C ATOM 805 CD GLU A 54 4.584 3.939 -9.932 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.725 3.667 -9.591 1.00 0.00 O ATOM 807 OE2 GLU A 54 3.900 3.219 -10.639 1.00 0.00 O ATOM 0 H GLU A 54 5.715 6.939 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 54 4.557 7.926 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.874 5.853 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.769 5.174 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.960 5.084 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.918 5.968 -10.257 1.00 0.00 H new ATOM 814 N VAL A 55 2.521 6.839 -6.456 1.00 0.00 N ATOM 815 CA VAL A 55 1.140 6.781 -6.006 1.00 0.00 C ATOM 816 C VAL A 55 0.901 7.863 -4.982 1.00 0.00 C ATOM 817 O VAL A 55 0.696 7.576 -3.803 1.00 0.00 O ATOM 818 CB VAL A 55 0.908 5.431 -5.342 1.00 0.00 C ATOM 819 CG1 VAL A 55 -0.575 5.250 -4.985 1.00 0.00 C ATOM 820 CG2 VAL A 55 1.363 4.324 -6.290 1.00 0.00 C ATOM 0 H VAL A 55 3.197 6.536 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 55 0.468 6.918 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 55 1.485 5.382 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.719 4.279 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.883 6.038 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.177 5.304 -5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.200 3.354 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.791 4.380 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.423 4.447 -6.510 1.00 0.00 H new ATOM 830 N ASP A 56 0.948 9.115 -5.415 1.00 0.00 N ATOM 831 CA ASP A 56 0.760 10.224 -4.502 1.00 0.00 C ATOM 832 C ASP A 56 -0.250 11.216 -5.091 1.00 0.00 C ATOM 833 O ASP A 56 -0.041 12.427 -5.064 1.00 0.00 O ATOM 834 CB ASP A 56 2.143 10.872 -4.272 1.00 0.00 C ATOM 835 CG ASP A 56 2.375 11.221 -2.802 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.402 11.377 -2.082 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.531 11.331 -2.422 1.00 0.00 O ATOM 0 H ASP A 56 1.113 9.383 -6.385 1.00 0.00 H new ATOM 0 HA ASP A 56 0.355 9.892 -3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.923 10.190 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.225 11.775 -4.876 1.00 0.00 H new ATOM 842 N ALA A 57 -1.359 10.683 -5.621 1.00 0.00 N ATOM 843 CA ALA A 57 -2.409 11.520 -6.210 1.00 0.00 C ATOM 844 C ALA A 57 -2.614 12.794 -5.398 1.00 0.00 C ATOM 845 O ALA A 57 -3.114 13.797 -5.908 1.00 0.00 O ATOM 846 CB ALA A 57 -3.733 10.753 -6.236 1.00 0.00 C ATOM 0 H ALA A 57 -1.550 9.682 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.096 11.781 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.509 11.381 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.618 9.848 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.017 10.483 -5.219 1.00 0.00 H new ATOM 852 N ASP A 58 -2.224 12.732 -4.126 1.00 0.00 N ATOM 853 CA ASP A 58 -2.365 13.864 -3.212 1.00 0.00 C ATOM 854 C ASP A 58 -1.039 14.587 -3.002 1.00 0.00 C ATOM 855 O ASP A 58 -0.992 15.817 -2.994 1.00 0.00 O ATOM 856 CB ASP A 58 -2.885 13.362 -1.864 1.00 0.00 C ATOM 857 CG ASP A 58 -2.010 12.222 -1.355 1.00 0.00 C ATOM 858 OD1 ASP A 58 -1.154 11.784 -2.104 1.00 0.00 O ATOM 859 OD2 ASP A 58 -2.216 11.797 -0.229 1.00 0.00 O ATOM 0 H ASP A 58 -1.805 11.904 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.068 14.570 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.890 14.178 -1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.915 13.022 -1.967 1.00 0.00 H new ATOM 864 N GLY A 59 0.036 13.823 -2.828 1.00 0.00 N ATOM 865 CA GLY A 59 1.357 14.417 -2.616 1.00 0.00 C ATOM 866 C GLY A 59 1.641 14.624 -1.132 1.00 0.00 C ATOM 867 O GLY A 59 2.369 15.542 -0.755 1.00 0.00 O ATOM 0 H GLY A 59 0.022 12.803 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.122 13.771 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.416 15.373 -3.136 1.00 0.00 H new ATOM 871 N ASN A 60 1.059 13.766 -0.294 1.00 0.00 N ATOM 872 CA ASN A 60 1.252 13.864 1.152 1.00 0.00 C ATOM 873 C ASN A 60 2.495 13.096 1.602 1.00 0.00 C ATOM 874 O ASN A 60 2.942 13.246 2.739 1.00 0.00 O ATOM 875 CB ASN A 60 0.022 13.317 1.874 1.00 0.00 C ATOM 876 CG ASN A 60 -0.194 11.853 1.509 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.595 11.276 0.760 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.224 11.214 1.996 1.00 0.00 N ATOM 0 H ASN A 60 0.454 13.000 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 60 1.393 14.915 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.150 13.416 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.858 13.901 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.376 10.234 1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.876 11.695 2.616 1.00 0.00 H new ATOM 885 N GLY A 61 3.059 12.278 0.714 1.00 0.00 N ATOM 886 CA GLY A 61 4.254 11.509 1.052 1.00 0.00 C ATOM 887 C GLY A 61 3.921 10.306 1.922 1.00 0.00 C ATOM 888 O GLY A 61 4.814 9.592 2.382 1.00 0.00 O ATOM 0 H GLY A 61 2.712 12.132 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.741 11.173 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.964 12.150 1.574 1.00 0.00 H new ATOM 892 N THR A 62 2.635 10.062 2.133 1.00 0.00 N ATOM 893 CA THR A 62 2.198 8.914 2.924 1.00 0.00 C ATOM 894 C THR A 62 0.992 8.282 2.255 1.00 0.00 C ATOM 895 O THR A 62 0.393 8.870 1.356 1.00 0.00 O ATOM 896 CB THR A 62 1.892 9.321 4.369 1.00 0.00 C ATOM 897 OG1 THR A 62 0.815 10.250 4.402 1.00 0.00 O ATOM 898 CG2 THR A 62 3.147 9.955 4.967 1.00 0.00 C ATOM 0 H THR A 62 1.877 10.640 1.770 1.00 0.00 H new ATOM 0 HA THR A 62 3.002 8.180 2.969 1.00 0.00 H new ATOM 0 HB THR A 62 1.603 8.443 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.628 10.501 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.949 10.252 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.964 9.233 4.948 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.425 10.833 4.383 1.00 0.00 H new ATOM 906 N ILE A 63 0.669 7.056 2.646 1.00 0.00 N ATOM 907 CA ILE A 63 -0.439 6.338 2.016 1.00 0.00 C ATOM 908 C ILE A 63 -1.705 6.404 2.855 1.00 0.00 C ATOM 909 O ILE A 63 -1.731 5.943 3.997 1.00 0.00 O ATOM 910 CB ILE A 63 -0.041 4.873 1.836 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.410 4.805 1.365 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.947 4.206 0.802 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.795 3.350 1.110 1.00 0.00 C ATOM 0 H ILE A 63 1.148 6.541 3.385 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.645 6.809 1.055 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.147 4.350 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.536 5.390 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.068 5.240 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.655 3.163 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.982 4.256 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.851 4.722 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.831 3.301 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.685 2.778 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.144 2.931 0.343 1.00 0.00 H new ATOM 925 N ASP A 64 -2.770 6.920 2.250 1.00 0.00 N ATOM 926 CA ASP A 64 -4.063 6.976 2.907 1.00 0.00 C ATOM 927 C ASP A 64 -4.770 5.691 2.504 1.00 0.00 C ATOM 928 O ASP A 64 -4.115 4.800 1.970 1.00 0.00 O ATOM 929 CB ASP A 64 -4.848 8.205 2.439 1.00 0.00 C ATOM 930 CG ASP A 64 -4.166 9.487 2.922 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.840 9.558 4.094 1.00 0.00 O ATOM 932 OD2 ASP A 64 -3.992 10.384 2.110 1.00 0.00 O ATOM 0 H ASP A 64 -2.759 7.305 1.305 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.971 7.062 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.916 8.209 1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.868 8.161 2.822 1.00 0.00 H new ATOM 937 N PHE A 65 -6.075 5.562 2.693 1.00 0.00 N ATOM 938 CA PHE A 65 -6.707 4.320 2.258 1.00 0.00 C ATOM 939 C PHE A 65 -6.919 4.288 0.726 1.00 0.00 C ATOM 940 O PHE A 65 -6.625 3.275 0.093 1.00 0.00 O ATOM 941 CB PHE A 65 -8.019 4.074 2.988 1.00 0.00 C ATOM 942 CG PHE A 65 -8.705 2.912 2.334 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.168 1.629 2.468 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.873 3.115 1.606 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.810 0.542 1.879 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.517 2.030 1.009 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.989 0.740 1.148 1.00 0.00 C ATOM 0 H PHE A 65 -6.690 6.256 3.119 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.022 3.512 2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.835 3.864 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.650 4.962 2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.256 1.480 3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.281 4.110 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.400 -0.451 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.422 2.185 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.490 -0.101 0.692 1.00 0.00 H new ATOM 957 N PRO A 66 -7.436 5.316 0.109 1.00 0.00 N ATOM 958 CA PRO A 66 -7.651 5.311 -1.383 1.00 0.00 C ATOM 959 C PRO A 66 -6.330 5.250 -2.154 1.00 0.00 C ATOM 960 O PRO A 66 -6.249 4.665 -3.240 1.00 0.00 O ATOM 961 CB PRO A 66 -8.402 6.630 -1.647 1.00 0.00 C ATOM 962 CG PRO A 66 -8.959 7.003 -0.316 1.00 0.00 C ATOM 963 CD PRO A 66 -7.893 6.588 0.688 1.00 0.00 C ATOM 0 HA PRO A 66 -8.205 4.435 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.732 7.400 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.191 6.498 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.160 8.073 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.902 6.490 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.089 7.320 0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.300 6.461 1.691 1.00 0.00 H new ATOM 971 N GLU A 67 -5.291 5.831 -1.572 1.00 0.00 N ATOM 972 CA GLU A 67 -3.975 5.815 -2.195 1.00 0.00 C ATOM 973 C GLU A 67 -3.481 4.390 -2.213 1.00 0.00 C ATOM 974 O GLU A 67 -2.744 3.946 -3.105 1.00 0.00 O ATOM 975 CB GLU A 67 -3.000 6.681 -1.390 1.00 0.00 C ATOM 976 CG GLU A 67 -3.437 8.150 -1.473 1.00 0.00 C ATOM 977 CD GLU A 67 -2.923 8.777 -2.765 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.282 8.075 -3.527 1.00 0.00 O ATOM 979 OE2 GLU A 67 -3.158 9.953 -2.962 1.00 0.00 O ATOM 0 H GLU A 67 -5.332 6.316 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.040 6.212 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.979 6.354 -0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.988 6.568 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.524 8.217 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.053 8.701 -0.614 1.00 0.00 H new ATOM 986 N PHE A 68 -3.915 3.667 -1.201 1.00 0.00 N ATOM 987 CA PHE A 68 -3.544 2.278 -1.054 1.00 0.00 C ATOM 988 C PHE A 68 -4.324 1.408 -2.044 1.00 0.00 C ATOM 989 O PHE A 68 -3.801 0.414 -2.533 1.00 0.00 O ATOM 990 CB PHE A 68 -3.763 1.843 0.403 1.00 0.00 C ATOM 991 CG PHE A 68 -3.737 0.340 0.551 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.516 -0.353 0.599 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.938 -0.351 0.707 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.512 -1.738 0.809 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.928 -1.727 0.903 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.722 -2.423 0.960 1.00 0.00 C ATOM 0 H PHE A 68 -4.527 4.022 -0.466 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.487 2.150 -1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.991 2.283 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.720 2.226 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.585 0.180 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.876 0.183 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.576 -2.276 0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.861 -2.260 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.722 -3.491 1.121 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.552 1.808 -2.386 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.337 1.059 -3.369 1.00 0.00 C ATOM 1008 C LEU A 69 -5.730 1.211 -4.772 1.00 0.00 C ATOM 1009 O LEU A 69 -5.762 0.284 -5.574 1.00 0.00 O ATOM 1010 CB LEU A 69 -7.798 1.571 -3.388 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.672 0.775 -2.392 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.862 1.628 -1.940 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.215 -0.486 -3.082 1.00 0.00 C ATOM 0 H LEU A 69 -6.017 2.632 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.323 0.007 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.820 2.630 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.208 1.477 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.062 0.504 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.472 1.059 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.497 2.532 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.464 1.900 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.831 -1.048 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.817 -0.198 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.382 -1.107 -3.412 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.173 2.384 -5.043 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.549 2.657 -6.334 1.00 0.00 C ATOM 1027 C ASN A 70 -3.332 1.755 -6.506 1.00 0.00 C ATOM 1028 O ASN A 70 -3.094 1.154 -7.562 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.079 4.119 -6.344 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.229 5.080 -6.643 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.799 5.059 -7.733 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.577 5.947 -5.729 1.00 0.00 N ATOM 0 H ASN A 70 -5.140 3.164 -4.386 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.261 2.475 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.640 4.367 -5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.296 4.245 -7.092 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.326 6.613 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.099 5.958 -4.828 1.00 0.00 H new ATOM 1039 N LEU A 71 -2.595 1.693 -5.423 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.380 0.910 -5.306 1.00 0.00 C ATOM 1041 C LEU A 71 -1.672 -0.576 -5.501 1.00 0.00 C ATOM 1042 O LEU A 71 -0.989 -1.270 -6.267 1.00 0.00 O ATOM 1043 CB LEU A 71 -0.871 1.222 -3.886 1.00 0.00 C ATOM 1044 CG LEU A 71 0.194 0.259 -3.373 1.00 0.00 C ATOM 1045 CD1 LEU A 71 1.420 0.304 -4.271 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.588 0.718 -1.966 1.00 0.00 C ATOM 0 H LEU A 71 -2.829 2.201 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.637 1.155 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.465 2.234 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.717 1.209 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.193 -0.760 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.173 -0.388 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.139 0.018 -5.285 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.828 1.315 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.351 0.050 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.982 1.733 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.288 0.698 -1.318 1.00 0.00 H new ATOM 1058 N MET A 72 -2.728 -1.028 -4.836 1.00 0.00 N ATOM 1059 CA MET A 72 -3.181 -2.407 -4.921 1.00 0.00 C ATOM 1060 C MET A 72 -4.002 -2.642 -6.199 1.00 0.00 C ATOM 1061 O MET A 72 -3.988 -3.732 -6.770 1.00 0.00 O ATOM 1062 CB MET A 72 -4.039 -2.721 -3.686 1.00 0.00 C ATOM 1063 CG MET A 72 -3.217 -2.650 -2.402 1.00 0.00 C ATOM 1064 SD MET A 72 -1.876 -3.862 -2.449 1.00 0.00 S ATOM 1065 CE MET A 72 -2.920 -5.333 -2.312 1.00 0.00 C ATOM 0 H MET A 72 -3.295 -0.445 -4.221 1.00 0.00 H new ATOM 0 HA MET A 72 -2.312 -3.064 -4.955 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.868 -2.015 -3.628 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.474 -3.716 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.807 -1.648 -2.280 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.858 -2.839 -1.541 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.403 -6.093 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.856 -5.070 -1.819 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.131 -5.723 -3.308 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.703 -1.603 -6.645 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.519 -1.703 -7.860 1.00 0.00 C ATOM 1077 C ALA A 73 -4.616 -1.760 -9.085 1.00 0.00 C ATOM 1078 O ALA A 73 -4.848 -2.530 -10.014 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.462 -0.510 -7.979 1.00 0.00 C ATOM 0 H ALA A 73 -4.726 -0.690 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.114 -2.614 -7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.057 -0.606 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.124 -0.481 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.880 0.411 -8.022 1.00 0.00 H new