USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 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 5 THR OG1 : rot -59:sc= -0.973 USER MOD Set 1.2: A 8 GLN :FLIP amide:sc= -1.75 F(o=-7.1!,f=-2.7) USER MOD Single : A 10 SER OG : rot 180:sc= 0 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+ 151:sc= -0.77 (180deg=-0.944) USER MOD Single : A 26 CYS SG : rot -18:sc= -0.877! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 70:sc= -0.141 USER MOD Single : A 36 MET CE :methyl -106:sc=-0.00616 (180deg=-0.121) USER MOD Single : A 38 SER OG : rot -39:sc= 0.0521 USER MOD Single : A 41 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.94) USER MOD Single : A 42 ASN : amide:sc= -1.08 K(o=-1.1,f=-2.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 51 MET CE :methyl 138:sc= -0.253 (180deg=-1.5!) USER MOD Single : A 53 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.4!) USER MOD Single : A 60 ASN : amide:sc= -6.21! C(o=-6.2!,f=-21!) USER MOD Single : A 62 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0538 F(o=-0.97,f=-0.054) USER MOD Single : A 72 MET CE :methyl -116:sc=-0.00772 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.836 -7.278 -5.459 1.00 0.00 N ATOM 62 CA THR A 5 -16.687 -7.584 -4.302 1.00 0.00 C ATOM 63 C THR A 5 -16.250 -6.811 -3.065 1.00 0.00 C ATOM 64 O THR A 5 -15.191 -6.187 -3.044 1.00 0.00 O ATOM 65 CB THR A 5 -16.627 -9.078 -3.980 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.309 -9.427 -3.592 1.00 0.00 O ATOM 67 CG2 THR A 5 -17.032 -9.895 -5.208 1.00 0.00 C ATOM 0 HA THR A 5 -17.703 -7.291 -4.566 1.00 0.00 H new ATOM 0 HB THR A 5 -17.317 -9.295 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.688 -9.219 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.986 -10.958 -4.969 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.049 -9.632 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.350 -9.678 -6.030 1.00 0.00 H new ATOM 75 N ASP A 6 -17.074 -6.890 -2.026 1.00 0.00 N ATOM 76 CA ASP A 6 -16.769 -6.235 -0.764 1.00 0.00 C ATOM 77 C ASP A 6 -15.581 -6.920 -0.113 1.00 0.00 C ATOM 78 O ASP A 6 -14.862 -6.329 0.691 1.00 0.00 O ATOM 79 CB ASP A 6 -17.972 -6.324 0.176 1.00 0.00 C ATOM 80 CG ASP A 6 -18.474 -7.763 0.241 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.011 -8.568 -0.551 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.318 -8.039 1.079 1.00 0.00 O ATOM 0 H ASP A 6 -17.957 -7.401 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.536 -5.188 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.692 -5.982 1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.768 -5.667 -0.175 1.00 0.00 H new ATOM 87 N GLU A 7 -15.399 -8.186 -0.466 1.00 0.00 N ATOM 88 CA GLU A 7 -14.315 -8.980 0.085 1.00 0.00 C ATOM 89 C GLU A 7 -12.963 -8.393 -0.300 1.00 0.00 C ATOM 90 O GLU A 7 -12.074 -8.259 0.540 1.00 0.00 O ATOM 91 CB GLU A 7 -14.406 -10.410 -0.445 1.00 0.00 C ATOM 92 CG GLU A 7 -15.668 -11.081 0.095 1.00 0.00 C ATOM 93 CD GLU A 7 -15.824 -12.464 -0.527 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.960 -12.845 -1.300 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.808 -13.120 -0.225 1.00 0.00 O ATOM 0 H GLU A 7 -15.990 -8.683 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.405 -8.976 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.424 -10.404 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.525 -10.976 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.610 -11.165 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.541 -10.470 -0.132 1.00 0.00 H new ATOM 102 N GLN A 8 -12.813 -8.044 -1.570 1.00 0.00 N ATOM 103 CA GLN A 8 -11.561 -7.474 -2.040 1.00 0.00 C ATOM 104 C GLN A 8 -11.317 -6.145 -1.338 1.00 0.00 C ATOM 105 O GLN A 8 -10.176 -5.768 -1.069 1.00 0.00 O ATOM 106 CB GLN A 8 -11.613 -7.286 -3.570 1.00 0.00 C ATOM 107 CG GLN A 8 -11.025 -8.516 -4.277 1.00 0.00 C ATOM 108 CD GLN A 8 -11.658 -9.796 -3.731 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.941 -9.838 -3.507 1.00 0.00 O flip ATOM 110 NE2 GLN A 8 -10.960 -10.783 -3.503 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.534 -8.144 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.738 -8.149 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.644 -7.132 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.055 -6.394 -3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.200 -8.445 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.945 -8.546 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.956 -10.749 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.385 -11.635 -3.138 1.00 0.00 H new ATOM 119 N ILE A 9 -12.400 -5.460 -1.017 1.00 0.00 N ATOM 120 CA ILE A 9 -12.295 -4.189 -0.314 1.00 0.00 C ATOM 121 C ILE A 9 -11.991 -4.433 1.159 1.00 0.00 C ATOM 122 O ILE A 9 -11.035 -3.885 1.708 1.00 0.00 O ATOM 123 CB ILE A 9 -13.593 -3.401 -0.473 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.720 -2.947 -1.929 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.572 -2.177 0.447 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.132 -2.422 -2.180 1.00 0.00 C ATOM 0 H ILE A 9 -13.353 -5.756 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.480 -3.606 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.441 -4.031 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.988 -2.168 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.506 -3.779 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.500 -1.618 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.472 -2.502 1.483 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.728 -1.539 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.221 -2.099 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.855 -3.214 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.329 -1.578 -1.519 1.00 0.00 H new ATOM 138 N SER A 10 -12.814 -5.248 1.800 1.00 0.00 N ATOM 139 CA SER A 10 -12.606 -5.533 3.208 1.00 0.00 C ATOM 140 C SER A 10 -11.208 -6.102 3.418 1.00 0.00 C ATOM 141 O SER A 10 -10.457 -5.619 4.265 1.00 0.00 O ATOM 142 CB SER A 10 -13.653 -6.534 3.690 1.00 0.00 C ATOM 143 OG SER A 10 -13.742 -6.472 5.106 1.00 0.00 O ATOM 0 H SER A 10 -13.616 -5.715 1.377 1.00 0.00 H new ATOM 0 HA SER A 10 -12.704 -4.610 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.621 -6.309 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.382 -7.542 3.375 1.00 0.00 H new ATOM 0 HG SER A 10 -14.415 -7.112 5.420 1.00 0.00 H new ATOM 149 N GLU A 11 -10.842 -7.112 2.623 1.00 0.00 N ATOM 150 CA GLU A 11 -9.517 -7.702 2.738 1.00 0.00 C ATOM 151 C GLU A 11 -8.460 -6.613 2.601 1.00 0.00 C ATOM 152 O GLU A 11 -7.505 -6.561 3.379 1.00 0.00 O ATOM 153 CB GLU A 11 -9.309 -8.755 1.641 1.00 0.00 C ATOM 154 CG GLU A 11 -10.113 -10.021 1.960 1.00 0.00 C ATOM 155 CD GLU A 11 -9.967 -11.029 0.822 1.00 0.00 C ATOM 156 OE1 GLU A 11 -10.001 -10.609 -0.324 1.00 0.00 O ATOM 157 OE2 GLU A 11 -9.821 -12.205 1.111 1.00 0.00 O ATOM 0 H GLU A 11 -11.437 -7.528 1.907 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.427 -8.181 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.619 -8.352 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.250 -9.000 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.762 -10.460 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.164 -9.769 2.102 1.00 0.00 H new ATOM 164 N PHE A 12 -8.657 -5.726 1.630 1.00 0.00 N ATOM 165 CA PHE A 12 -7.735 -4.616 1.412 1.00 0.00 C ATOM 166 C PHE A 12 -7.694 -3.742 2.666 1.00 0.00 C ATOM 167 O PHE A 12 -6.627 -3.382 3.164 1.00 0.00 O ATOM 168 CB PHE A 12 -8.243 -3.792 0.202 1.00 0.00 C ATOM 169 CG PHE A 12 -7.660 -4.331 -1.089 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.580 -5.714 -1.280 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.201 -3.461 -2.094 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.045 -6.230 -2.458 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.670 -3.986 -3.277 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.592 -5.366 -3.459 1.00 0.00 C ATOM 0 H PHE A 12 -9.445 -5.754 0.983 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.730 -4.985 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.332 -3.830 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.965 -2.745 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.934 -6.385 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.258 -2.392 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.980 -7.299 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.319 -3.320 -4.052 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.181 -5.768 -4.374 1.00 0.00 H new ATOM 184 N LYS A 13 -8.881 -3.415 3.156 1.00 0.00 N ATOM 185 CA LYS A 13 -9.038 -2.574 4.338 1.00 0.00 C ATOM 186 C LYS A 13 -8.374 -3.197 5.561 1.00 0.00 C ATOM 187 O LYS A 13 -7.652 -2.518 6.292 1.00 0.00 O ATOM 188 CB LYS A 13 -10.539 -2.392 4.587 1.00 0.00 C ATOM 189 CG LYS A 13 -10.800 -1.140 5.425 1.00 0.00 C ATOM 190 CD LYS A 13 -12.312 -0.915 5.515 1.00 0.00 C ATOM 191 CE LYS A 13 -12.600 0.379 6.276 1.00 0.00 C ATOM 192 NZ LYS A 13 -14.073 0.602 6.335 1.00 0.00 N ATOM 0 H LYS A 13 -9.763 -3.724 2.747 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.554 -1.613 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.064 -2.314 3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.937 -3.268 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.376 -1.258 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.316 -0.275 4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.741 -0.862 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.785 -1.757 6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.189 0.320 7.284 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.113 1.220 5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.270 1.482 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.452 0.676 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.526 -0.196 6.824 1.00 0.00 H new ATOM 206 N GLU A 14 -8.601 -4.488 5.776 1.00 0.00 N ATOM 207 CA GLU A 14 -7.991 -5.162 6.914 1.00 0.00 C ATOM 208 C GLU A 14 -6.477 -5.145 6.753 1.00 0.00 C ATOM 209 O GLU A 14 -5.738 -4.857 7.696 1.00 0.00 O ATOM 210 CB GLU A 14 -8.485 -6.611 6.997 1.00 0.00 C ATOM 211 CG GLU A 14 -9.988 -6.642 7.303 1.00 0.00 C ATOM 212 CD GLU A 14 -10.254 -6.045 8.680 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.326 -5.991 9.469 1.00 0.00 O ATOM 214 OE2 GLU A 14 -11.382 -5.649 8.925 1.00 0.00 O ATOM 0 H GLU A 14 -9.191 -5.078 5.190 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.270 -4.643 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.287 -7.125 6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.937 -7.146 7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.533 -6.082 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.354 -7.668 7.266 1.00 0.00 H new ATOM 221 N ALA A 15 -6.029 -5.440 5.536 1.00 0.00 N ATOM 222 CA ALA A 15 -4.605 -5.448 5.225 1.00 0.00 C ATOM 223 C ALA A 15 -3.991 -4.089 5.528 1.00 0.00 C ATOM 224 O ALA A 15 -2.932 -3.993 6.131 1.00 0.00 O ATOM 225 CB ALA A 15 -4.410 -5.764 3.738 1.00 0.00 C ATOM 0 H ALA A 15 -6.633 -5.677 4.749 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.116 -6.207 5.836 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.345 -5.770 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.836 -6.742 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.909 -5.005 3.136 1.00 0.00 H new ATOM 231 N PHE A 16 -4.645 -3.037 5.070 1.00 0.00 N ATOM 232 CA PHE A 16 -4.149 -1.686 5.269 1.00 0.00 C ATOM 233 C PHE A 16 -4.169 -1.242 6.744 1.00 0.00 C ATOM 234 O PHE A 16 -3.175 -0.720 7.243 1.00 0.00 O ATOM 235 CB PHE A 16 -4.986 -0.750 4.413 1.00 0.00 C ATOM 236 CG PHE A 16 -4.562 0.671 4.647 1.00 0.00 C ATOM 237 CD1 PHE A 16 -5.157 1.416 5.668 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.575 1.245 3.841 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.760 2.739 5.888 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.179 2.567 4.059 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.771 3.314 5.080 1.00 0.00 C ATOM 0 H PHE A 16 -5.524 -3.092 4.556 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.101 -1.656 4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.870 -1.005 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.042 -0.868 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.922 0.971 6.287 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.119 0.667 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.215 3.316 6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.415 3.011 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.466 4.336 5.247 1.00 0.00 H new ATOM 251 N SER A 17 -5.282 -1.455 7.452 1.00 0.00 N ATOM 252 CA SER A 17 -5.338 -1.056 8.863 1.00 0.00 C ATOM 253 C SER A 17 -4.232 -1.772 9.608 1.00 0.00 C ATOM 254 O SER A 17 -3.572 -1.210 10.484 1.00 0.00 O ATOM 255 CB SER A 17 -6.694 -1.406 9.491 1.00 0.00 C ATOM 256 OG SER A 17 -6.583 -1.364 10.912 1.00 0.00 O ATOM 0 H SER A 17 -6.131 -1.887 7.088 1.00 0.00 H new ATOM 0 HA SER A 17 -5.211 0.024 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.456 -0.703 9.154 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.011 -2.398 9.169 1.00 0.00 H new ATOM 0 HG SER A 17 -7.449 -1.586 11.314 1.00 0.00 H new ATOM 262 N LEU A 18 -4.021 -3.014 9.214 1.00 0.00 N ATOM 263 CA LEU A 18 -2.983 -3.849 9.784 1.00 0.00 C ATOM 264 C LEU A 18 -1.619 -3.204 9.523 1.00 0.00 C ATOM 265 O LEU A 18 -0.754 -3.178 10.397 1.00 0.00 O ATOM 266 CB LEU A 18 -3.107 -5.219 9.097 1.00 0.00 C ATOM 267 CG LEU A 18 -2.042 -6.217 9.550 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.291 -6.637 11.001 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.135 -7.447 8.635 1.00 0.00 C ATOM 0 H LEU A 18 -4.568 -3.473 8.486 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.083 -3.963 10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.094 -5.633 9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.035 -5.085 8.018 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.053 -5.763 9.490 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.525 -7.348 11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.253 -5.759 11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.273 -7.104 11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.385 -8.180 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.128 -7.889 8.719 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.958 -7.147 7.602 1.00 0.00 H new ATOM 281 N PHE A 19 -1.443 -2.677 8.312 1.00 0.00 N ATOM 282 CA PHE A 19 -0.184 -2.030 7.933 1.00 0.00 C ATOM 283 C PHE A 19 0.060 -0.794 8.794 1.00 0.00 C ATOM 284 O PHE A 19 1.204 -0.409 9.027 1.00 0.00 O ATOM 285 CB PHE A 19 -0.193 -1.626 6.443 1.00 0.00 C ATOM 286 CG PHE A 19 -0.021 -2.846 5.535 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.348 -4.141 5.984 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.467 -2.679 4.224 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.193 -5.237 5.147 1.00 0.00 C ATOM 290 CE2 PHE A 19 0.617 -3.794 3.384 1.00 0.00 C ATOM 291 CZ PHE A 19 0.285 -5.072 3.851 1.00 0.00 C ATOM 0 H PHE A 19 -2.152 -2.684 7.578 1.00 0.00 H new ATOM 0 HA PHE A 19 0.620 -2.748 8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.131 -1.123 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.609 -0.912 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.722 -4.282 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.726 -1.694 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.445 -6.225 5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.988 -3.666 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.400 -5.930 3.205 1.00 0.00 H new ATOM 301 N ASP A 20 -1.021 -0.166 9.246 1.00 0.00 N ATOM 302 CA ASP A 20 -0.904 1.039 10.064 1.00 0.00 C ATOM 303 C ASP A 20 -0.653 0.695 11.535 1.00 0.00 C ATOM 304 O ASP A 20 -1.591 0.467 12.296 1.00 0.00 O ATOM 305 CB ASP A 20 -2.188 1.861 9.945 1.00 0.00 C ATOM 306 CG ASP A 20 -1.970 3.256 10.522 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.052 3.411 11.309 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.726 4.147 10.169 1.00 0.00 O ATOM 0 H ASP A 20 -1.979 -0.466 9.063 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.053 1.615 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.487 1.934 8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.999 1.362 10.475 1.00 0.00 H new ATOM 313 N LYS A 21 0.621 0.662 11.925 1.00 0.00 N ATOM 314 CA LYS A 21 0.984 0.337 13.306 1.00 0.00 C ATOM 315 C LYS A 21 0.357 1.321 14.286 1.00 0.00 C ATOM 316 O LYS A 21 0.046 0.958 15.421 1.00 0.00 O ATOM 317 CB LYS A 21 2.511 0.364 13.482 1.00 0.00 C ATOM 318 CG LYS A 21 3.168 -0.756 12.655 1.00 0.00 C ATOM 319 CD LYS A 21 3.171 -2.068 13.454 1.00 0.00 C ATOM 320 CE LYS A 21 3.577 -3.223 12.542 1.00 0.00 C ATOM 321 NZ LYS A 21 5.018 -3.092 12.183 1.00 0.00 N ATOM 0 H LYS A 21 1.413 0.854 11.312 1.00 0.00 H new ATOM 0 HA LYS A 21 0.607 -0.664 13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.902 1.332 13.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.764 0.243 14.535 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.627 -0.892 11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.189 -0.476 12.396 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.863 -1.993 14.293 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.182 -2.253 13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.402 -4.175 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.965 -3.220 11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.420 -4.035 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.111 -2.513 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.530 -2.636 12.965 1.00 0.00 H new ATOM 335 N ASP A 22 0.194 2.570 13.860 1.00 0.00 N ATOM 336 CA ASP A 22 -0.382 3.597 14.728 1.00 0.00 C ATOM 337 C ASP A 22 -1.875 3.777 14.461 1.00 0.00 C ATOM 338 O ASP A 22 -2.571 4.455 15.219 1.00 0.00 O ATOM 339 CB ASP A 22 0.338 4.921 14.489 1.00 0.00 C ATOM 340 CG ASP A 22 1.840 4.734 14.674 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.221 4.018 15.586 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.588 5.303 13.896 1.00 0.00 O ATOM 0 H ASP A 22 0.449 2.896 12.928 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.257 3.280 15.763 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.129 5.282 13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.032 5.677 15.182 1.00 0.00 H new ATOM 347 N GLY A 23 -2.365 3.170 13.384 1.00 0.00 N ATOM 348 CA GLY A 23 -3.780 3.279 13.038 1.00 0.00 C ATOM 349 C GLY A 23 -4.181 4.738 12.843 1.00 0.00 C ATOM 350 O GLY A 23 -5.259 5.155 13.262 1.00 0.00 O ATOM 0 H GLY A 23 -1.811 2.603 12.742 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.980 2.718 12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.387 2.833 13.826 1.00 0.00 H new ATOM 354 N ASP A 24 -3.298 5.515 12.212 1.00 0.00 N ATOM 355 CA ASP A 24 -3.560 6.939 11.972 1.00 0.00 C ATOM 356 C ASP A 24 -4.046 7.174 10.547 1.00 0.00 C ATOM 357 O ASP A 24 -4.010 8.299 10.049 1.00 0.00 O ATOM 358 CB ASP A 24 -2.292 7.755 12.222 1.00 0.00 C ATOM 359 CG ASP A 24 -1.142 7.221 11.374 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.312 6.175 10.770 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.106 7.865 11.345 1.00 0.00 O ATOM 0 H ASP A 24 -2.399 5.186 11.859 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.341 7.259 12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.473 8.803 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.025 7.711 13.278 1.00 0.00 H new ATOM 366 N GLY A 25 -4.493 6.110 9.892 1.00 0.00 N ATOM 367 CA GLY A 25 -4.982 6.225 8.525 1.00 0.00 C ATOM 368 C GLY A 25 -3.853 6.593 7.569 1.00 0.00 C ATOM 369 O GLY A 25 -4.093 7.179 6.514 1.00 0.00 O ATOM 0 H GLY A 25 -4.527 5.167 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.432 5.282 8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.765 6.982 8.478 1.00 0.00 H new ATOM 373 N CYS A 26 -2.620 6.244 7.936 1.00 0.00 N ATOM 374 CA CYS A 26 -1.470 6.545 7.088 1.00 0.00 C ATOM 375 C CYS A 26 -0.332 5.560 7.338 1.00 0.00 C ATOM 376 O CYS A 26 0.018 5.278 8.484 1.00 0.00 O ATOM 377 CB CYS A 26 -0.973 7.970 7.348 1.00 0.00 C ATOM 378 SG CYS A 26 -2.355 9.130 7.202 1.00 0.00 S ATOM 0 H CYS A 26 -2.395 5.759 8.804 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.791 6.456 6.050 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.532 8.037 8.343 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.190 8.229 6.635 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.325 8.568 6.544 1.00 0.00 H new ATOM 384 N ILE A 27 0.270 5.067 6.254 1.00 0.00 N ATOM 385 CA ILE A 27 1.403 4.147 6.358 1.00 0.00 C ATOM 386 C ILE A 27 2.646 4.923 5.960 1.00 0.00 C ATOM 387 O ILE A 27 2.667 5.546 4.896 1.00 0.00 O ATOM 388 CB ILE A 27 1.245 2.962 5.393 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.098 2.271 5.631 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.375 1.939 5.612 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.340 1.241 4.526 1.00 0.00 C ATOM 0 H ILE A 27 -0.007 5.289 5.298 1.00 0.00 H new ATOM 0 HA ILE A 27 1.465 3.757 7.374 1.00 0.00 H new ATOM 0 HB ILE A 27 1.291 3.342 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.101 1.783 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.902 3.007 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.250 1.105 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.338 2.417 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.338 1.570 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.297 0.746 4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.354 1.742 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.459 0.499 4.539 1.00 0.00 H new ATOM 403 N THR A 28 3.678 4.889 6.793 1.00 0.00 N ATOM 404 CA THR A 28 4.913 5.591 6.471 1.00 0.00 C ATOM 405 C THR A 28 5.868 4.602 5.806 1.00 0.00 C ATOM 406 O THR A 28 5.649 3.393 5.869 1.00 0.00 O ATOM 407 CB THR A 28 5.525 6.205 7.741 1.00 0.00 C ATOM 408 OG1 THR A 28 5.898 5.173 8.640 1.00 0.00 O ATOM 409 CG2 THR A 28 4.500 7.128 8.416 1.00 0.00 C ATOM 0 H THR A 28 3.686 4.391 7.683 1.00 0.00 H new ATOM 0 HA THR A 28 4.716 6.413 5.783 1.00 0.00 H new ATOM 0 HB THR A 28 6.408 6.783 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.289 5.568 9.447 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.937 7.561 9.316 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.220 7.926 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.614 6.553 8.684 1.00 0.00 H new ATOM 417 N THR A 29 6.906 5.103 5.154 1.00 0.00 N ATOM 418 CA THR A 29 7.850 4.225 4.469 1.00 0.00 C ATOM 419 C THR A 29 8.403 3.180 5.432 1.00 0.00 C ATOM 420 O THR A 29 8.665 2.044 5.047 1.00 0.00 O ATOM 421 CB THR A 29 8.997 5.051 3.888 1.00 0.00 C ATOM 422 OG1 THR A 29 9.653 5.742 4.938 1.00 0.00 O ATOM 423 CG2 THR A 29 8.441 6.060 2.878 1.00 0.00 C ATOM 0 H THR A 29 7.117 6.098 5.083 1.00 0.00 H new ATOM 0 HA THR A 29 7.327 3.713 3.661 1.00 0.00 H new ATOM 0 HB THR A 29 9.705 4.392 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.391 6.272 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.259 6.649 2.464 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.934 5.528 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.734 6.722 3.377 1.00 0.00 H new ATOM 431 N LYS A 30 8.576 3.576 6.689 1.00 0.00 N ATOM 432 CA LYS A 30 9.093 2.666 7.708 1.00 0.00 C ATOM 433 C LYS A 30 8.114 1.527 7.950 1.00 0.00 C ATOM 434 O LYS A 30 8.490 0.355 7.951 1.00 0.00 O ATOM 435 CB LYS A 30 9.306 3.430 9.016 1.00 0.00 C ATOM 436 CG LYS A 30 10.027 2.539 10.033 1.00 0.00 C ATOM 437 CD LYS A 30 10.366 3.360 11.285 1.00 0.00 C ATOM 438 CE LYS A 30 9.092 3.641 12.093 1.00 0.00 C ATOM 439 NZ LYS A 30 9.459 4.105 13.461 1.00 0.00 N ATOM 0 H LYS A 30 8.367 4.516 7.026 1.00 0.00 H new ATOM 0 HA LYS A 30 10.040 2.254 7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.892 4.330 8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.346 3.752 9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.396 1.691 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.938 2.132 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.084 2.819 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.838 4.299 10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.490 4.398 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.483 2.739 12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.594 4.295 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.016 3.369 13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.023 4.976 13.392 1.00 0.00 H new ATOM 453 N GLU A 31 6.850 1.887 8.120 1.00 0.00 N ATOM 454 CA GLU A 31 5.797 0.912 8.329 1.00 0.00 C ATOM 455 C GLU A 31 5.613 0.100 7.061 1.00 0.00 C ATOM 456 O GLU A 31 5.547 -1.131 7.091 1.00 0.00 O ATOM 457 CB GLU A 31 4.502 1.648 8.663 1.00 0.00 C ATOM 458 CG GLU A 31 4.636 2.312 10.035 1.00 0.00 C ATOM 459 CD GLU A 31 3.397 3.148 10.334 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.511 3.177 9.495 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.351 3.748 11.396 1.00 0.00 O ATOM 0 H GLU A 31 6.530 2.856 8.117 1.00 0.00 H new ATOM 0 HA GLU A 31 6.060 0.244 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.291 2.399 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.664 0.951 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.766 1.551 10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.524 2.943 10.057 1.00 0.00 H new ATOM 468 N LEU A 32 5.565 0.808 5.943 1.00 0.00 N ATOM 469 CA LEU A 32 5.427 0.159 4.658 1.00 0.00 C ATOM 470 C LEU A 32 6.654 -0.712 4.454 1.00 0.00 C ATOM 471 O LEU A 32 6.553 -1.867 4.045 1.00 0.00 O ATOM 472 CB LEU A 32 5.316 1.226 3.557 1.00 0.00 C ATOM 473 CG LEU A 32 4.928 0.595 2.204 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.322 1.677 1.295 1.00 0.00 C ATOM 475 CD2 LEU A 32 6.160 -0.017 1.510 1.00 0.00 C ATOM 0 H LEU A 32 5.620 1.826 5.904 1.00 0.00 H new ATOM 0 HA LEU A 32 4.528 -0.456 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.571 1.969 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.267 1.750 3.457 1.00 0.00 H new ATOM 0 HG LEU A 32 4.201 -0.197 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.046 1.235 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.435 2.096 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.054 2.468 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.861 -0.456 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.902 0.761 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.590 -0.790 2.147 1.00 0.00 H new ATOM 487 N GLY A 33 7.811 -0.160 4.788 1.00 0.00 N ATOM 488 CA GLY A 33 9.047 -0.904 4.674 1.00 0.00 C ATOM 489 C GLY A 33 9.019 -2.117 5.596 1.00 0.00 C ATOM 490 O GLY A 33 9.399 -3.207 5.193 1.00 0.00 O ATOM 0 H GLY A 33 7.915 0.793 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.192 -1.225 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.891 -0.263 4.930 1.00 0.00 H new ATOM 494 N THR A 34 8.540 -1.933 6.829 1.00 0.00 N ATOM 495 CA THR A 34 8.463 -3.050 7.775 1.00 0.00 C ATOM 496 C THR A 34 7.818 -4.228 7.069 1.00 0.00 C ATOM 497 O THR A 34 8.289 -5.366 7.131 1.00 0.00 O ATOM 498 CB THR A 34 7.583 -2.645 8.971 1.00 0.00 C ATOM 499 OG1 THR A 34 7.987 -1.371 9.450 1.00 0.00 O ATOM 500 CG2 THR A 34 7.708 -3.675 10.099 1.00 0.00 C ATOM 0 H THR A 34 8.206 -1.040 7.191 1.00 0.00 H new ATOM 0 HA THR A 34 9.460 -3.313 8.127 1.00 0.00 H new ATOM 0 HB THR A 34 6.544 -2.603 8.643 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.749 -0.684 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.080 -3.374 10.937 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.387 -4.652 9.737 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.746 -3.732 10.426 1.00 0.00 H new ATOM 508 N VAL A 35 6.719 -3.913 6.422 1.00 0.00 N ATOM 509 CA VAL A 35 5.939 -4.895 5.694 1.00 0.00 C ATOM 510 C VAL A 35 6.709 -5.437 4.484 1.00 0.00 C ATOM 511 O VAL A 35 6.870 -6.649 4.342 1.00 0.00 O ATOM 512 CB VAL A 35 4.633 -4.230 5.266 1.00 0.00 C ATOM 513 CG1 VAL A 35 3.832 -5.155 4.358 1.00 0.00 C ATOM 514 CG2 VAL A 35 3.834 -3.904 6.527 1.00 0.00 C ATOM 0 H VAL A 35 6.338 -2.968 6.384 1.00 0.00 H new ATOM 0 HA VAL A 35 5.731 -5.752 6.334 1.00 0.00 H new ATOM 0 HB VAL A 35 4.845 -3.319 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.905 -4.663 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.417 -5.388 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.600 -6.077 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.894 -3.427 6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.626 -4.824 7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.411 -3.228 7.159 1.00 0.00 H new ATOM 524 N MET A 36 7.208 -4.545 3.633 1.00 0.00 N ATOM 525 CA MET A 36 7.965 -4.976 2.462 1.00 0.00 C ATOM 526 C MET A 36 9.233 -5.702 2.902 1.00 0.00 C ATOM 527 O MET A 36 9.614 -6.727 2.334 1.00 0.00 O ATOM 528 CB MET A 36 8.310 -3.748 1.609 1.00 0.00 C ATOM 529 CG MET A 36 7.096 -3.345 0.761 1.00 0.00 C ATOM 530 SD MET A 36 6.786 -4.598 -0.510 1.00 0.00 S ATOM 531 CE MET A 36 8.022 -4.031 -1.706 1.00 0.00 C ATOM 0 H MET A 36 7.104 -3.535 3.729 1.00 0.00 H new ATOM 0 HA MET A 36 7.367 -5.666 1.867 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.607 -2.919 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.159 -3.970 0.962 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.218 -3.235 1.397 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.274 -2.377 0.293 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.522 -3.537 -2.539 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.701 -3.329 -1.222 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.587 -4.886 -2.078 1.00 0.00 H new ATOM 541 N ARG A 37 9.857 -5.162 3.941 1.00 0.00 N ATOM 542 CA ARG A 37 11.072 -5.737 4.513 1.00 0.00 C ATOM 543 C ARG A 37 10.821 -7.167 4.944 1.00 0.00 C ATOM 544 O ARG A 37 11.576 -8.084 4.619 1.00 0.00 O ATOM 545 CB ARG A 37 11.440 -4.930 5.765 1.00 0.00 C ATOM 546 CG ARG A 37 12.742 -5.441 6.393 1.00 0.00 C ATOM 547 CD ARG A 37 13.031 -4.644 7.672 1.00 0.00 C ATOM 548 NE ARG A 37 14.333 -5.011 8.216 1.00 0.00 N ATOM 549 CZ ARG A 37 14.655 -4.746 9.480 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.793 -4.165 10.271 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.834 -5.073 9.934 1.00 0.00 N ATOM 0 H ARG A 37 9.538 -4.315 4.411 1.00 0.00 H new ATOM 0 HA ARG A 37 11.868 -5.711 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.548 -3.877 5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.632 -4.996 6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.657 -6.503 6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.567 -5.333 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.008 -3.576 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.254 -4.836 8.411 1.00 0.00 H new ATOM 0 HE ARG A 37 15.011 -5.480 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.869 -3.913 9.921 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.044 -3.964 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.508 -5.531 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.082 -4.870 10.902 1.00 0.00 H new ATOM 565 N SER A 38 9.753 -7.325 5.700 1.00 0.00 N ATOM 566 CA SER A 38 9.367 -8.628 6.224 1.00 0.00 C ATOM 567 C SER A 38 8.903 -9.570 5.115 1.00 0.00 C ATOM 568 O SER A 38 8.863 -10.786 5.305 1.00 0.00 O ATOM 569 CB SER A 38 8.239 -8.457 7.239 1.00 0.00 C ATOM 570 OG SER A 38 8.094 -9.656 7.988 1.00 0.00 O ATOM 0 H SER A 38 9.130 -6.563 5.969 1.00 0.00 H new ATOM 0 HA SER A 38 10.244 -9.068 6.699 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.458 -7.623 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.307 -8.220 6.727 1.00 0.00 H new ATOM 0 HG SER A 38 8.219 -10.428 7.397 1.00 0.00 H new ATOM 576 N LEU A 39 8.524 -9.003 3.973 1.00 0.00 N ATOM 577 CA LEU A 39 8.029 -9.809 2.850 1.00 0.00 C ATOM 578 C LEU A 39 9.180 -10.324 1.975 1.00 0.00 C ATOM 579 O LEU A 39 9.039 -10.433 0.761 1.00 0.00 O ATOM 580 CB LEU A 39 7.043 -8.965 2.007 1.00 0.00 C ATOM 581 CG LEU A 39 5.876 -9.831 1.488 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.859 -8.947 0.757 1.00 0.00 C ATOM 583 CD2 LEU A 39 6.392 -10.903 0.521 1.00 0.00 C ATOM 0 H LEU A 39 8.548 -7.999 3.797 1.00 0.00 H new ATOM 0 HA LEU A 39 7.512 -10.680 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.652 -8.146 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.570 -8.517 1.165 1.00 0.00 H new ATOM 0 HG LEU A 39 5.401 -10.316 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.037 -9.563 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.472 -8.194 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.344 -8.454 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.556 -11.505 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.881 -10.423 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.107 -11.544 1.037 1.00 0.00 H new ATOM 595 N GLY A 40 10.307 -10.661 2.596 1.00 0.00 N ATOM 596 CA GLY A 40 11.444 -11.188 1.845 1.00 0.00 C ATOM 597 C GLY A 40 11.908 -10.213 0.770 1.00 0.00 C ATOM 598 O GLY A 40 12.167 -10.608 -0.367 1.00 0.00 O ATOM 0 H GLY A 40 10.458 -10.581 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.267 -11.395 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.167 -12.135 1.383 1.00 0.00 H new ATOM 602 N GLN A 41 12.008 -8.940 1.134 1.00 0.00 N ATOM 603 CA GLN A 41 12.442 -7.905 0.198 1.00 0.00 C ATOM 604 C GLN A 41 13.275 -6.866 0.943 1.00 0.00 C ATOM 605 O GLN A 41 13.143 -6.720 2.155 1.00 0.00 O ATOM 606 CB GLN A 41 11.214 -7.240 -0.433 1.00 0.00 C ATOM 607 CG GLN A 41 11.627 -6.445 -1.673 1.00 0.00 C ATOM 608 CD GLN A 41 12.044 -7.403 -2.781 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.396 -8.431 -2.989 1.00 0.00 O ATOM 610 NE2 GLN A 41 13.090 -7.132 -3.506 1.00 0.00 N ATOM 0 H GLN A 41 11.795 -8.598 2.071 1.00 0.00 H new ATOM 0 HA GLN A 41 13.049 -8.352 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.480 -7.998 -0.705 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.737 -6.579 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.798 -5.822 -2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.451 -5.775 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.625 -6.281 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.375 -7.771 -4.248 1.00 0.00 H new ATOM 619 N ASN A 42 14.143 -6.154 0.223 1.00 0.00 N ATOM 620 CA ASN A 42 14.993 -5.137 0.850 1.00 0.00 C ATOM 621 C ASN A 42 15.229 -3.959 -0.087 1.00 0.00 C ATOM 622 O ASN A 42 16.327 -3.790 -0.616 1.00 0.00 O ATOM 623 CB ASN A 42 16.349 -5.742 1.221 1.00 0.00 C ATOM 624 CG ASN A 42 16.155 -7.063 1.956 1.00 0.00 C ATOM 625 OD1 ASN A 42 15.840 -8.077 1.336 1.00 0.00 O ATOM 626 ND2 ASN A 42 16.325 -7.110 3.248 1.00 0.00 N ATOM 0 H ASN A 42 14.277 -6.259 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 42 14.478 -4.784 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.942 -5.903 0.321 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.906 -5.047 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.197 -7.990 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.586 -6.267 3.759 1.00 0.00 H new ATOM 633 N PRO A 43 14.240 -3.141 -0.296 1.00 0.00 N ATOM 634 CA PRO A 43 14.359 -1.948 -1.184 1.00 0.00 C ATOM 635 C PRO A 43 15.310 -0.902 -0.610 1.00 0.00 C ATOM 636 O PRO A 43 15.426 -0.762 0.607 1.00 0.00 O ATOM 637 CB PRO A 43 12.922 -1.392 -1.239 1.00 0.00 C ATOM 638 CG PRO A 43 12.060 -2.516 -0.790 1.00 0.00 C ATOM 639 CD PRO A 43 12.885 -3.238 0.268 1.00 0.00 C ATOM 0 HA PRO A 43 14.765 -2.206 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.809 -0.524 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.660 -1.072 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.118 -2.153 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.811 -3.179 -1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.812 -2.757 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.569 -4.273 0.398 1.00 0.00 H new ATOM 647 N THR A 44 15.945 -0.136 -1.485 1.00 0.00 N ATOM 648 CA THR A 44 16.820 0.931 -1.033 1.00 0.00 C ATOM 649 C THR A 44 15.961 2.147 -0.740 1.00 0.00 C ATOM 650 O THR A 44 14.809 2.206 -1.159 1.00 0.00 O ATOM 651 CB THR A 44 17.876 1.257 -2.088 1.00 0.00 C ATOM 652 OG1 THR A 44 17.268 1.277 -3.370 1.00 0.00 O ATOM 653 CG2 THR A 44 18.976 0.197 -2.053 1.00 0.00 C ATOM 0 H THR A 44 15.872 -0.232 -2.498 1.00 0.00 H new ATOM 0 HA THR A 44 17.351 0.620 -0.134 1.00 0.00 H new ATOM 0 HB THR A 44 18.313 2.234 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.943 1.488 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.729 0.429 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.440 0.186 -1.067 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.545 -0.782 -2.262 1.00 0.00 H new ATOM 661 N GLU A 45 16.498 3.096 -0.003 1.00 0.00 N ATOM 662 CA GLU A 45 15.728 4.272 0.359 1.00 0.00 C ATOM 663 C GLU A 45 15.228 5.033 -0.871 1.00 0.00 C ATOM 664 O GLU A 45 14.081 5.478 -0.899 1.00 0.00 O ATOM 665 CB GLU A 45 16.573 5.191 1.231 1.00 0.00 C ATOM 666 CG GLU A 45 15.705 6.326 1.767 1.00 0.00 C ATOM 667 CD GLU A 45 16.546 7.246 2.643 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.757 7.103 2.618 1.00 0.00 O ATOM 669 OE2 GLU A 45 15.968 8.077 3.322 1.00 0.00 O ATOM 0 H GLU A 45 17.453 3.080 0.355 1.00 0.00 H new ATOM 0 HA GLU A 45 14.852 3.936 0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.005 4.628 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.403 5.596 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.275 6.890 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.873 5.920 2.343 1.00 0.00 H new ATOM 676 N ALA A 46 16.070 5.172 -1.888 1.00 0.00 N ATOM 677 CA ALA A 46 15.657 5.877 -3.099 1.00 0.00 C ATOM 678 C ALA A 46 14.413 5.225 -3.662 1.00 0.00 C ATOM 679 O ALA A 46 13.452 5.897 -4.039 1.00 0.00 O ATOM 680 CB ALA A 46 16.763 5.808 -4.153 1.00 0.00 C ATOM 0 H ALA A 46 17.025 4.814 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 46 15.457 6.918 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.443 6.337 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.668 6.272 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.967 4.766 -4.399 1.00 0.00 H new ATOM 686 N GLU A 47 14.462 3.910 -3.737 1.00 0.00 N ATOM 687 CA GLU A 47 13.368 3.130 -4.274 1.00 0.00 C ATOM 688 C GLU A 47 12.085 3.344 -3.469 1.00 0.00 C ATOM 689 O GLU A 47 11.023 3.561 -4.044 1.00 0.00 O ATOM 690 CB GLU A 47 13.790 1.660 -4.255 1.00 0.00 C ATOM 691 CG GLU A 47 15.000 1.489 -5.182 1.00 0.00 C ATOM 692 CD GLU A 47 14.596 1.712 -6.636 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.416 1.610 -6.926 1.00 0.00 O ATOM 694 OE2 GLU A 47 15.475 1.985 -7.439 1.00 0.00 O ATOM 0 H GLU A 47 15.260 3.354 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 47 13.151 3.446 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.043 1.352 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.967 1.025 -4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.782 2.196 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.417 0.489 -5.064 1.00 0.00 H new ATOM 701 N LEU A 48 12.188 3.288 -2.144 1.00 0.00 N ATOM 702 CA LEU A 48 11.014 3.475 -1.279 1.00 0.00 C ATOM 703 C LEU A 48 10.435 4.875 -1.417 1.00 0.00 C ATOM 704 O LEU A 48 9.230 5.052 -1.592 1.00 0.00 O ATOM 705 CB LEU A 48 11.425 3.293 0.176 1.00 0.00 C ATOM 706 CG LEU A 48 11.950 1.884 0.386 1.00 0.00 C ATOM 707 CD1 LEU A 48 12.498 1.769 1.811 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.829 0.852 0.150 1.00 0.00 C ATOM 0 H LEU A 48 13.061 3.117 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 48 10.265 2.742 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.192 4.021 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.573 3.475 0.830 1.00 0.00 H new ATOM 0 HG LEU A 48 12.748 1.679 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.878 0.761 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.305 2.488 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.701 1.976 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.221 -0.153 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.013 1.035 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.459 0.944 -0.871 1.00 0.00 H new ATOM 720 N GLN A 49 11.313 5.863 -1.350 1.00 0.00 N ATOM 721 CA GLN A 49 10.901 7.256 -1.470 1.00 0.00 C ATOM 722 C GLN A 49 10.286 7.475 -2.838 1.00 0.00 C ATOM 723 O GLN A 49 9.326 8.217 -3.000 1.00 0.00 O ATOM 724 CB GLN A 49 12.116 8.167 -1.305 1.00 0.00 C ATOM 725 CG GLN A 49 11.685 9.635 -1.350 1.00 0.00 C ATOM 726 CD GLN A 49 12.910 10.527 -1.176 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.948 10.065 -0.702 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.856 11.780 -1.534 1.00 0.00 N ATOM 0 H GLN A 49 12.315 5.728 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 49 10.170 7.490 -0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.613 7.955 -0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.839 7.968 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.194 9.853 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.959 9.837 -0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.995 12.162 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.674 12.378 -1.421 1.00 0.00 H new ATOM 737 N ASP A 50 10.863 6.818 -3.825 1.00 0.00 N ATOM 738 CA ASP A 50 10.389 6.915 -5.183 1.00 0.00 C ATOM 739 C ASP A 50 9.140 6.056 -5.377 1.00 0.00 C ATOM 740 O ASP A 50 8.209 6.438 -6.087 1.00 0.00 O ATOM 741 CB ASP A 50 11.504 6.455 -6.108 1.00 0.00 C ATOM 742 CG ASP A 50 12.623 7.493 -6.111 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.411 8.562 -5.563 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.676 7.201 -6.655 1.00 0.00 O ATOM 0 H ASP A 50 11.670 6.206 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 50 10.118 7.946 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.889 5.490 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.119 6.317 -7.118 1.00 0.00 H new ATOM 749 N MET A 51 9.133 4.893 -4.736 1.00 0.00 N ATOM 750 CA MET A 51 7.998 3.987 -4.837 1.00 0.00 C ATOM 751 C MET A 51 6.749 4.643 -4.271 1.00 0.00 C ATOM 752 O MET A 51 5.684 4.641 -4.895 1.00 0.00 O ATOM 753 CB MET A 51 8.292 2.706 -4.038 1.00 0.00 C ATOM 754 CG MET A 51 7.120 1.726 -4.149 1.00 0.00 C ATOM 755 SD MET A 51 6.934 1.200 -5.873 1.00 0.00 S ATOM 756 CE MET A 51 8.505 0.310 -6.023 1.00 0.00 C ATOM 0 H MET A 51 9.894 4.558 -4.146 1.00 0.00 H new ATOM 0 HA MET A 51 7.835 3.745 -5.887 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.202 2.238 -4.412 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.468 2.955 -2.992 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.294 0.860 -3.510 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.202 2.199 -3.801 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.346 -0.620 -6.568 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.223 0.928 -6.562 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.893 0.086 -5.029 1.00 0.00 H new ATOM 766 N ILE A 52 6.905 5.206 -3.081 1.00 0.00 N ATOM 767 CA ILE A 52 5.812 5.874 -2.397 1.00 0.00 C ATOM 768 C ILE A 52 5.449 7.182 -3.100 1.00 0.00 C ATOM 769 O ILE A 52 4.278 7.505 -3.243 1.00 0.00 O ATOM 770 CB ILE A 52 6.228 6.134 -0.926 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.994 6.224 -0.032 1.00 0.00 C ATOM 772 CG2 ILE A 52 7.022 7.440 -0.798 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.429 6.296 1.432 1.00 0.00 C ATOM 0 H ILE A 52 7.786 5.212 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 52 4.927 5.238 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 52 6.856 5.300 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.407 7.105 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.353 5.356 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.300 7.596 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.923 7.380 -1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.408 8.274 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.548 6.360 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.998 5.402 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.052 7.177 1.584 1.00 0.00 H new ATOM 785 N ASN A 53 6.473 7.922 -3.509 1.00 0.00 N ATOM 786 CA ASN A 53 6.286 9.216 -4.167 1.00 0.00 C ATOM 787 C ASN A 53 5.636 9.097 -5.557 1.00 0.00 C ATOM 788 O ASN A 53 5.069 10.069 -6.057 1.00 0.00 O ATOM 789 CB ASN A 53 7.635 9.922 -4.289 1.00 0.00 C ATOM 790 CG ASN A 53 7.471 11.252 -5.010 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.419 11.883 -4.916 1.00 0.00 O ATOM 792 ND2 ASN A 53 8.456 11.722 -5.726 1.00 0.00 N ATOM 0 H ASN A 53 7.449 7.648 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 53 5.602 9.796 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.058 10.087 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.336 9.290 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.355 12.615 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.327 11.197 -5.802 1.00 0.00 H new ATOM 799 N GLU A 54 5.721 7.929 -6.192 1.00 0.00 N ATOM 800 CA GLU A 54 5.132 7.748 -7.511 1.00 0.00 C ATOM 801 C GLU A 54 3.613 7.664 -7.403 1.00 0.00 C ATOM 802 O GLU A 54 2.877 8.405 -8.059 1.00 0.00 O ATOM 803 CB GLU A 54 5.701 6.454 -8.106 1.00 0.00 C ATOM 804 CG GLU A 54 4.909 6.018 -9.336 1.00 0.00 C ATOM 805 CD GLU A 54 4.919 7.115 -10.393 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.828 7.929 -10.363 1.00 0.00 O ATOM 807 OE2 GLU A 54 4.020 7.127 -11.217 1.00 0.00 O ATOM 0 H GLU A 54 6.188 7.104 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 54 5.373 8.594 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.746 6.604 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.677 5.664 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.338 5.104 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.882 5.788 -9.052 1.00 0.00 H new ATOM 814 N VAL A 55 3.170 6.743 -6.563 1.00 0.00 N ATOM 815 CA VAL A 55 1.752 6.515 -6.331 1.00 0.00 C ATOM 816 C VAL A 55 1.175 7.611 -5.460 1.00 0.00 C ATOM 817 O VAL A 55 -0.031 7.661 -5.222 1.00 0.00 O ATOM 818 CB VAL A 55 1.576 5.180 -5.610 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.336 5.230 -4.270 1.00 0.00 C ATOM 820 CG2 VAL A 55 0.081 4.926 -5.352 1.00 0.00 C ATOM 0 H VAL A 55 3.783 6.132 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 55 1.235 6.508 -7.291 1.00 0.00 H new ATOM 0 HB VAL A 55 1.972 4.372 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.216 4.281 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.395 5.409 -4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.936 6.036 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.043 3.973 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.323 5.727 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.452 4.897 -6.302 1.00 0.00 H new ATOM 830 N ASP A 56 2.053 8.460 -4.968 1.00 0.00 N ATOM 831 CA ASP A 56 1.651 9.542 -4.091 1.00 0.00 C ATOM 832 C ASP A 56 0.760 10.541 -4.835 1.00 0.00 C ATOM 833 O ASP A 56 0.976 11.750 -4.777 1.00 0.00 O ATOM 834 CB ASP A 56 2.920 10.208 -3.542 1.00 0.00 C ATOM 835 CG ASP A 56 2.627 11.488 -2.781 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.532 11.623 -2.275 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.527 12.311 -2.699 1.00 0.00 O ATOM 0 H ASP A 56 3.054 8.422 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 56 1.059 9.157 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.437 9.509 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.596 10.428 -4.368 1.00 0.00 H new ATOM 842 N ALA A 57 -0.256 10.016 -5.530 1.00 0.00 N ATOM 843 CA ALA A 57 -1.186 10.857 -6.280 1.00 0.00 C ATOM 844 C ALA A 57 -1.758 11.944 -5.378 1.00 0.00 C ATOM 845 O ALA A 57 -2.127 13.023 -5.842 1.00 0.00 O ATOM 846 CB ALA A 57 -2.342 10.001 -6.811 1.00 0.00 C ATOM 0 H ALA A 57 -0.452 9.017 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.648 11.316 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.034 10.631 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.948 9.224 -7.466 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.867 9.539 -5.975 1.00 0.00 H new ATOM 852 N ASP A 58 -1.842 11.635 -4.087 1.00 0.00 N ATOM 853 CA ASP A 58 -2.382 12.569 -3.102 1.00 0.00 C ATOM 854 C ASP A 58 -1.386 13.685 -2.787 1.00 0.00 C ATOM 855 O ASP A 58 -1.771 14.839 -2.606 1.00 0.00 O ATOM 856 CB ASP A 58 -2.726 11.815 -1.817 1.00 0.00 C ATOM 857 CG ASP A 58 -3.443 10.514 -2.159 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.610 10.576 -2.509 1.00 0.00 O ATOM 859 OD2 ASP A 58 -2.813 9.472 -2.069 1.00 0.00 O ATOM 0 H ASP A 58 -1.542 10.742 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.280 13.023 -3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.817 11.603 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.359 12.433 -1.180 1.00 0.00 H new ATOM 864 N GLY A 59 -0.105 13.332 -2.722 1.00 0.00 N ATOM 865 CA GLY A 59 0.938 14.316 -2.424 1.00 0.00 C ATOM 866 C GLY A 59 1.115 14.503 -0.919 1.00 0.00 C ATOM 867 O GLY A 59 1.536 15.567 -0.463 1.00 0.00 O ATOM 0 H GLY A 59 0.236 12.382 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.881 13.994 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.681 15.271 -2.883 1.00 0.00 H new ATOM 871 N ASN A 60 0.787 13.466 -0.149 1.00 0.00 N ATOM 872 CA ASN A 60 0.912 13.528 1.310 1.00 0.00 C ATOM 873 C ASN A 60 2.208 12.871 1.781 1.00 0.00 C ATOM 874 O ASN A 60 2.699 13.172 2.868 1.00 0.00 O ATOM 875 CB ASN A 60 -0.288 12.838 1.960 1.00 0.00 C ATOM 876 CG ASN A 60 -0.325 11.370 1.564 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.701 10.803 1.210 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.455 10.722 1.601 1.00 0.00 N ATOM 0 H ASN A 60 0.435 12.578 -0.506 1.00 0.00 H new ATOM 0 HA ASN A 60 0.936 14.576 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.226 12.929 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.211 13.329 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.488 9.738 1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.307 11.199 1.897 1.00 0.00 H new ATOM 885 N GLY A 61 2.772 11.975 0.967 1.00 0.00 N ATOM 886 CA GLY A 61 4.018 11.299 1.329 1.00 0.00 C ATOM 887 C GLY A 61 3.755 9.995 2.076 1.00 0.00 C ATOM 888 O GLY A 61 4.682 9.243 2.372 1.00 0.00 O ATOM 0 H GLY A 61 2.389 11.703 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.595 11.092 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.623 11.959 1.951 1.00 0.00 H new ATOM 892 N THR A 62 2.490 9.714 2.356 1.00 0.00 N ATOM 893 CA THR A 62 2.112 8.482 3.044 1.00 0.00 C ATOM 894 C THR A 62 0.889 7.882 2.375 1.00 0.00 C ATOM 895 O THR A 62 0.266 8.515 1.524 1.00 0.00 O ATOM 896 CB THR A 62 1.863 8.742 4.534 1.00 0.00 C ATOM 897 OG1 THR A 62 0.774 9.638 4.706 1.00 0.00 O ATOM 898 CG2 THR A 62 3.134 9.339 5.140 1.00 0.00 C ATOM 0 H THR A 62 1.706 10.321 2.118 1.00 0.00 H new ATOM 0 HA THR A 62 2.932 7.768 2.974 1.00 0.00 H new ATOM 0 HB THR A 62 1.614 7.806 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.820 10.041 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.976 9.531 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.960 8.638 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.374 10.274 4.634 1.00 0.00 H new ATOM 906 N ILE A 63 0.570 6.644 2.718 1.00 0.00 N ATOM 907 CA ILE A 63 -0.560 5.963 2.088 1.00 0.00 C ATOM 908 C ILE A 63 -1.819 6.066 2.917 1.00 0.00 C ATOM 909 O ILE A 63 -1.880 5.538 4.022 1.00 0.00 O ATOM 910 CB ILE A 63 -0.213 4.488 1.898 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.205 4.376 1.327 1.00 0.00 C ATOM 912 CG2 ILE A 63 -1.208 3.828 0.940 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.331 5.243 0.066 1.00 0.00 C ATOM 0 H ILE A 63 1.067 6.093 3.418 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.747 6.447 1.129 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.266 3.979 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.933 4.696 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.429 3.336 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.949 2.777 0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.215 3.907 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.170 4.330 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.341 5.158 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.615 4.903 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.127 6.284 0.318 1.00 0.00 H new ATOM 925 N ASP A 64 -2.844 6.692 2.341 1.00 0.00 N ATOM 926 CA ASP A 64 -4.138 6.794 2.996 1.00 0.00 C ATOM 927 C ASP A 64 -4.894 5.537 2.594 1.00 0.00 C ATOM 928 O ASP A 64 -4.307 4.660 1.972 1.00 0.00 O ATOM 929 CB ASP A 64 -4.879 8.049 2.518 1.00 0.00 C ATOM 930 CG ASP A 64 -4.173 9.307 3.024 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.374 9.192 3.938 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.439 10.368 2.482 1.00 0.00 O ATOM 0 H ASP A 64 -2.799 7.134 1.423 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.043 6.877 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.922 8.061 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.908 8.031 2.878 1.00 0.00 H new ATOM 937 N PHE A 65 -6.168 5.405 2.905 1.00 0.00 N ATOM 938 CA PHE A 65 -6.858 4.190 2.487 1.00 0.00 C ATOM 939 C PHE A 65 -7.157 4.176 0.973 1.00 0.00 C ATOM 940 O PHE A 65 -6.792 3.225 0.293 1.00 0.00 O ATOM 941 CB PHE A 65 -8.139 3.968 3.280 1.00 0.00 C ATOM 942 CG PHE A 65 -8.843 2.758 2.718 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.190 1.516 2.703 1.00 0.00 C ATOM 944 CD2 PHE A 65 -10.131 2.876 2.195 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.829 0.401 2.181 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.774 1.753 1.669 1.00 0.00 C ATOM 947 CZ PHE A 65 -10.123 0.512 1.667 1.00 0.00 C ATOM 0 H PHE A 65 -6.729 6.084 3.420 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.176 3.366 2.698 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.911 3.818 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.782 4.845 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.189 1.428 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.630 3.834 2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.325 -0.554 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.771 1.841 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.622 -0.359 1.268 1.00 0.00 H new ATOM 957 N PRO A 66 -7.810 5.170 0.418 1.00 0.00 N ATOM 958 CA PRO A 66 -8.122 5.177 -1.052 1.00 0.00 C ATOM 959 C PRO A 66 -6.861 4.993 -1.899 1.00 0.00 C ATOM 960 O PRO A 66 -6.868 4.265 -2.891 1.00 0.00 O ATOM 961 CB PRO A 66 -8.763 6.559 -1.277 1.00 0.00 C ATOM 962 CG PRO A 66 -8.318 7.363 -0.104 1.00 0.00 C ATOM 963 CD PRO A 66 -8.329 6.385 1.062 1.00 0.00 C ATOM 0 HA PRO A 66 -8.776 4.356 -1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.430 7.004 -2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.850 6.491 -1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.323 7.778 -0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.988 8.203 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.696 6.718 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.330 6.240 1.469 1.00 0.00 H new ATOM 971 N GLU A 67 -5.775 5.639 -1.488 1.00 0.00 N ATOM 972 CA GLU A 67 -4.517 5.510 -2.208 1.00 0.00 C ATOM 973 C GLU A 67 -4.152 4.044 -2.256 1.00 0.00 C ATOM 974 O GLU A 67 -3.926 3.464 -3.318 1.00 0.00 O ATOM 975 CB GLU A 67 -3.413 6.269 -1.470 1.00 0.00 C ATOM 976 CG GLU A 67 -2.126 6.249 -2.296 1.00 0.00 C ATOM 977 CD GLU A 67 -1.048 7.055 -1.585 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.388 7.749 -0.644 1.00 0.00 O ATOM 979 OE2 GLU A 67 0.101 6.962 -1.988 1.00 0.00 O ATOM 0 H GLU A 67 -5.741 6.249 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.622 5.919 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.724 7.298 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.237 5.815 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.791 5.222 -2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.311 6.665 -3.286 1.00 0.00 H new ATOM 986 N PHE A 68 -4.125 3.445 -1.076 1.00 0.00 N ATOM 987 CA PHE A 68 -3.813 2.037 -0.951 1.00 0.00 C ATOM 988 C PHE A 68 -4.644 1.230 -1.963 1.00 0.00 C ATOM 989 O PHE A 68 -4.123 0.344 -2.634 1.00 0.00 O ATOM 990 CB PHE A 68 -4.070 1.599 0.495 1.00 0.00 C ATOM 991 CG PHE A 68 -3.924 0.107 0.664 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.652 -0.476 0.753 1.00 0.00 C ATOM 993 CD2 PHE A 68 -5.066 -0.687 0.789 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.531 -1.853 0.972 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.943 -2.061 0.996 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.678 -2.644 1.093 1.00 0.00 C ATOM 0 H PHE A 68 -4.316 3.916 -0.192 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.763 1.853 -1.178 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.372 2.110 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.074 1.902 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.768 0.136 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.046 -0.237 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.553 -2.304 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.828 -2.675 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.585 -3.707 1.262 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.935 1.554 -2.105 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.775 0.853 -3.086 1.00 0.00 C ATOM 1008 C LEU A 69 -6.266 1.108 -4.513 1.00 0.00 C ATOM 1009 O LEU A 69 -6.157 0.184 -5.320 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.242 1.330 -2.976 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.991 0.538 -1.888 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.190 1.353 -1.385 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.511 -0.789 -2.477 1.00 0.00 C ATOM 0 H LEU A 69 -6.412 2.278 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.724 -0.215 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.267 2.394 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.744 1.204 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.306 0.338 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.717 0.788 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.839 2.296 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.867 1.554 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.040 -1.347 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.190 -0.579 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.670 -1.380 -2.840 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.949 2.366 -4.803 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.440 2.747 -6.120 1.00 0.00 C ATOM 1027 C ASN A 70 -4.108 2.058 -6.354 1.00 0.00 C ATOM 1028 O ASN A 70 -3.836 1.483 -7.410 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.214 4.264 -6.139 1.00 0.00 C ATOM 1030 CG ASN A 70 -6.535 5.013 -6.269 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.476 4.531 -7.025 1.00 0.00 O flip ATOM 1032 ND2 ASN A 70 -6.706 6.076 -5.668 1.00 0.00 N flip ATOM 0 H ASN A 70 -6.035 3.141 -4.145 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.152 2.458 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.707 4.571 -5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.560 4.527 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.966 6.452 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.588 6.580 -5.763 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.307 2.136 -5.316 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.980 1.562 -5.269 1.00 0.00 C ATOM 1041 C LEU A 71 -2.045 0.056 -5.525 1.00 0.00 C ATOM 1042 O LEU A 71 -1.456 -0.452 -6.478 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.504 1.888 -3.851 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.097 1.351 -3.531 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.632 2.347 -2.607 1.00 0.00 C ATOM 1046 CD2 LEU A 71 -0.214 0.011 -2.798 1.00 0.00 C ATOM 0 H LEU A 71 -3.568 2.615 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.302 1.954 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.510 2.969 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.213 1.473 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 71 0.456 1.223 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.629 1.969 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.715 3.312 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.068 2.465 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.783 -0.368 -2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.768 0.151 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.740 -0.705 -3.430 1.00 0.00 H new ATOM 1058 N MET A 72 -2.801 -0.629 -4.680 1.00 0.00 N ATOM 1059 CA MET A 72 -3.001 -2.070 -4.791 1.00 0.00 C ATOM 1060 C MET A 72 -3.747 -2.418 -6.083 1.00 0.00 C ATOM 1061 O MET A 72 -3.464 -3.434 -6.721 1.00 0.00 O ATOM 1062 CB MET A 72 -3.812 -2.560 -3.592 1.00 0.00 C ATOM 1063 CG MET A 72 -3.004 -2.458 -2.302 1.00 0.00 C ATOM 1064 SD MET A 72 -1.529 -3.507 -2.384 1.00 0.00 S ATOM 1065 CE MET A 72 -2.347 -5.080 -2.026 1.00 0.00 C ATOM 0 H MET A 72 -3.295 -0.202 -3.896 1.00 0.00 H new ATOM 0 HA MET A 72 -2.026 -2.557 -4.810 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.724 -1.970 -3.501 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.116 -3.594 -3.753 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.710 -1.422 -2.132 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.622 -2.757 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.973 -5.478 -1.083 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.423 -4.922 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.139 -5.789 -2.827 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.704 -1.572 -6.458 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.487 -1.810 -7.666 1.00 0.00 C ATOM 1077 C ALA A 73 -4.577 -1.849 -8.884 1.00 0.00 C ATOM 1078 O ALA A 73 -4.738 -2.685 -9.775 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.527 -0.701 -7.851 1.00 0.00 C ATOM 0 H ALA A 73 -4.953 -0.724 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.994 -2.769 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.104 -0.891 -8.756 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.196 -0.683 -6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.022 0.261 -7.938 1.00 0.00 H new