USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 319 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -19:sc= 0.00387 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.895 K(o=-0.89,f=-2.2) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0.148 K(o=0.15,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 37 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.5!) USER MOD Single : A 40 GLN : amide:sc= -1.19 K(o=-1.2,f=-1.7) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 55 CYS SG : rot -120:sc= -1.2 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.107 USER MOD Single : A 74 THR OG1 : rot 140:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 26 N CYS A 17 -2.273 -7.924 3.293 1.00 0.00 N ATOM 27 CA CYS A 17 -2.291 -6.478 3.420 1.00 0.00 C ATOM 28 C CYS A 17 -1.329 -6.037 4.506 1.00 0.00 C ATOM 29 O CYS A 17 -1.319 -6.579 5.611 1.00 0.00 O ATOM 30 CB CYS A 17 -3.700 -5.963 3.726 1.00 0.00 C ATOM 31 SG CYS A 17 -4.621 -6.949 4.932 1.00 0.00 S ATOM 0 HA CYS A 17 -1.976 -6.054 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.626 -4.940 4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.269 -5.927 2.797 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.093 -8.134 5.018 1.00 0.00 H new ATOM 37 N GLU A 18 -0.518 -5.052 4.175 1.00 0.00 N ATOM 38 CA GLU A 18 0.468 -4.520 5.101 1.00 0.00 C ATOM 39 C GLU A 18 0.338 -3.013 5.198 1.00 0.00 C ATOM 40 O GLU A 18 -0.049 -2.359 4.240 1.00 0.00 O ATOM 41 CB GLU A 18 1.884 -4.899 4.662 1.00 0.00 C ATOM 42 CG GLU A 18 2.976 -4.351 5.567 1.00 0.00 C ATOM 43 CD GLU A 18 4.334 -4.958 5.275 1.00 0.00 C ATOM 44 OE1 GLU A 18 4.881 -4.693 4.183 1.00 0.00 O ATOM 45 OE2 GLU A 18 4.853 -5.698 6.137 1.00 0.00 O ATOM 0 H GLU A 18 -0.522 -4.598 3.262 1.00 0.00 H new ATOM 0 HA GLU A 18 0.284 -4.955 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.965 -5.985 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.049 -4.535 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.033 -3.269 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.712 -4.544 6.607 1.00 0.00 H new ATOM 52 N LEU A 19 0.669 -2.469 6.353 1.00 0.00 N ATOM 53 CA LEU A 19 0.584 -1.024 6.549 1.00 0.00 C ATOM 54 C LEU A 19 1.757 -0.337 5.871 1.00 0.00 C ATOM 55 O LEU A 19 2.912 -0.726 6.041 1.00 0.00 O ATOM 56 CB LEU A 19 0.546 -0.635 8.031 1.00 0.00 C ATOM 57 CG LEU A 19 0.051 -1.713 8.997 1.00 0.00 C ATOM 58 CD1 LEU A 19 -0.015 -1.166 10.414 1.00 0.00 C ATOM 59 CD2 LEU A 19 -1.309 -2.244 8.564 1.00 0.00 C ATOM 0 H LEU A 19 0.996 -2.993 7.165 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.353 -0.695 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.550 -0.338 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.092 0.242 8.139 1.00 0.00 H new ATOM 0 HG LEU A 19 0.760 -2.541 8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.369 -1.945 11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.978 -0.840 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.701 -0.320 10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.641 -3.009 9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.031 -1.427 8.550 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.230 -2.676 7.566 1.00 0.00 H new ATOM 71 N THR A 20 1.440 0.680 5.089 1.00 0.00 N ATOM 72 CA THR A 20 2.443 1.435 4.357 1.00 0.00 C ATOM 73 C THR A 20 2.128 2.924 4.387 1.00 0.00 C ATOM 74 O THR A 20 0.971 3.323 4.519 1.00 0.00 O ATOM 75 CB THR A 20 2.534 0.944 2.910 1.00 0.00 C ATOM 76 OG1 THR A 20 3.589 1.596 2.226 1.00 0.00 O ATOM 77 CG2 THR A 20 1.265 1.169 2.116 1.00 0.00 C ATOM 0 H THR A 20 0.484 1.005 4.944 1.00 0.00 H new ATOM 0 HA THR A 20 3.406 1.276 4.842 1.00 0.00 H new ATOM 0 HB THR A 20 2.710 -0.129 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.633 1.268 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.401 0.797 1.100 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.440 0.637 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.039 2.235 2.085 1.00 0.00 H new ATOM 85 N VAL A 21 3.164 3.737 4.258 1.00 0.00 N ATOM 86 CA VAL A 21 3.012 5.179 4.263 1.00 0.00 C ATOM 87 C VAL A 21 3.429 5.751 2.920 1.00 0.00 C ATOM 88 O VAL A 21 4.529 5.484 2.438 1.00 0.00 O ATOM 89 CB VAL A 21 3.858 5.840 5.370 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.172 5.715 6.718 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.258 5.247 5.418 1.00 0.00 C ATOM 0 H VAL A 21 4.126 3.417 4.148 1.00 0.00 H new ATOM 0 HA VAL A 21 1.961 5.393 4.456 1.00 0.00 H new ATOM 0 HB VAL A 21 3.952 6.900 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.786 6.188 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.200 6.206 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.037 4.661 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.832 5.732 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.194 4.178 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.753 5.405 4.460 1.00 0.00 H new ATOM 101 N VAL A 22 2.550 6.532 2.313 1.00 0.00 N ATOM 102 CA VAL A 22 2.844 7.123 1.027 1.00 0.00 C ATOM 103 C VAL A 22 3.944 8.164 1.134 1.00 0.00 C ATOM 104 O VAL A 22 3.869 9.090 1.942 1.00 0.00 O ATOM 105 CB VAL A 22 1.608 7.756 0.361 1.00 0.00 C ATOM 106 CG1 VAL A 22 0.922 6.741 -0.524 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.628 8.334 1.375 1.00 0.00 C ATOM 0 H VAL A 22 1.633 6.768 2.692 1.00 0.00 H new ATOM 0 HA VAL A 22 3.181 6.300 0.396 1.00 0.00 H new ATOM 0 HB VAL A 22 1.957 8.591 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.049 7.197 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.614 6.406 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.608 5.888 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.224 8.767 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.282 7.542 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.125 9.107 1.961 1.00 0.00 H new ATOM 117 N LEU A 23 4.970 7.991 0.319 1.00 0.00 N ATOM 118 CA LEU A 23 6.101 8.895 0.315 1.00 0.00 C ATOM 119 C LEU A 23 5.783 10.201 -0.410 1.00 0.00 C ATOM 120 O LEU A 23 6.457 11.207 -0.194 1.00 0.00 O ATOM 121 CB LEU A 23 7.329 8.231 -0.320 1.00 0.00 C ATOM 122 CG LEU A 23 7.470 6.723 -0.080 1.00 0.00 C ATOM 123 CD1 LEU A 23 8.764 6.205 -0.691 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.415 6.407 1.410 1.00 0.00 C ATOM 0 H LEU A 23 5.040 7.226 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 23 6.323 9.132 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.299 8.408 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.223 8.726 0.059 1.00 0.00 H new ATOM 0 HG LEU A 23 6.634 6.219 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.848 5.133 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.761 6.394 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.612 6.717 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.517 5.332 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.228 6.922 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.461 6.741 1.818 1.00 0.00 H new ATOM 136 N GLN A 24 4.770 10.191 -1.275 1.00 0.00 N ATOM 137 CA GLN A 24 4.405 11.391 -2.006 1.00 0.00 C ATOM 138 C GLN A 24 2.885 11.464 -2.187 1.00 0.00 C ATOM 139 O GLN A 24 2.207 10.437 -2.163 1.00 0.00 O ATOM 140 CB GLN A 24 5.156 11.414 -3.352 1.00 0.00 C ATOM 141 CG GLN A 24 4.427 10.816 -4.558 1.00 0.00 C ATOM 142 CD GLN A 24 4.095 11.852 -5.615 1.00 0.00 C ATOM 143 OE1 GLN A 24 3.789 13.002 -5.299 1.00 0.00 O ATOM 144 NE2 GLN A 24 4.153 11.447 -6.878 1.00 0.00 N ATOM 0 H GLN A 24 4.197 9.373 -1.481 1.00 0.00 H new ATOM 0 HA GLN A 24 4.698 12.276 -1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.405 12.449 -3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.098 10.880 -3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.046 10.036 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.507 10.339 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.411 10.484 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.939 12.099 -7.633 1.00 0.00 H new ATOM 153 N ASP A 25 2.355 12.666 -2.390 1.00 0.00 N ATOM 154 CA ASP A 25 0.918 12.816 -2.596 1.00 0.00 C ATOM 155 C ASP A 25 0.548 12.271 -3.965 1.00 0.00 C ATOM 156 O ASP A 25 1.326 12.359 -4.915 1.00 0.00 O ATOM 157 CB ASP A 25 0.413 14.268 -2.478 1.00 0.00 C ATOM 158 CG ASP A 25 1.447 15.270 -1.987 1.00 0.00 C ATOM 159 OD1 ASP A 25 1.551 15.463 -0.758 1.00 0.00 O ATOM 160 OD2 ASP A 25 2.150 15.860 -2.834 1.00 0.00 O ATOM 0 H ASP A 25 2.887 13.536 -2.416 1.00 0.00 H new ATOM 0 HA ASP A 25 0.434 12.254 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.051 14.591 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.440 14.286 -1.799 1.00 0.00 H new ATOM 165 N PHE A 26 -0.638 11.710 -4.053 1.00 0.00 N ATOM 166 CA PHE A 26 -1.125 11.145 -5.302 1.00 0.00 C ATOM 167 C PHE A 26 -2.614 11.338 -5.452 1.00 0.00 C ATOM 168 O PHE A 26 -3.336 11.444 -4.473 1.00 0.00 O ATOM 169 CB PHE A 26 -0.810 9.659 -5.394 1.00 0.00 C ATOM 170 CG PHE A 26 -1.067 9.082 -6.759 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.185 9.312 -7.800 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.193 8.307 -6.998 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.418 8.784 -9.056 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.432 7.775 -8.251 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.543 8.014 -9.281 1.00 0.00 C ATOM 0 H PHE A 26 -1.290 11.631 -3.272 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.613 11.674 -6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.235 9.499 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.410 9.121 -4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.697 9.912 -7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.891 8.117 -6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.278 8.973 -9.860 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.312 7.174 -8.425 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.727 7.599 -10.261 1.00 0.00 H new ATOM 185 N SER A 27 -3.067 11.373 -6.686 1.00 0.00 N ATOM 186 CA SER A 27 -4.458 11.520 -6.977 1.00 0.00 C ATOM 187 C SER A 27 -4.892 10.404 -7.917 1.00 0.00 C ATOM 188 O SER A 27 -4.171 10.050 -8.850 1.00 0.00 O ATOM 189 CB SER A 27 -4.691 12.868 -7.620 1.00 0.00 C ATOM 190 OG SER A 27 -3.548 13.302 -8.337 1.00 0.00 O ATOM 0 H SER A 27 -2.472 11.299 -7.511 1.00 0.00 H new ATOM 0 HA SER A 27 -5.043 11.459 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.545 12.809 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.941 13.601 -6.853 1.00 0.00 H new ATOM 0 HG SER A 27 -3.729 14.175 -8.743 1.00 0.00 H new ATOM 196 N ALA A 28 -6.052 9.836 -7.644 1.00 0.00 N ATOM 197 CA ALA A 28 -6.587 8.741 -8.428 1.00 0.00 C ATOM 198 C ALA A 28 -6.576 9.006 -9.928 1.00 0.00 C ATOM 199 O ALA A 28 -6.084 10.028 -10.402 1.00 0.00 O ATOM 200 CB ALA A 28 -7.998 8.434 -7.980 1.00 0.00 C ATOM 0 H ALA A 28 -6.651 10.123 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.932 7.887 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.397 7.610 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.993 8.154 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.624 9.316 -8.118 1.00 0.00 H new ATOM 206 N ALA A 29 -7.141 8.050 -10.662 1.00 0.00 N ATOM 207 CA ALA A 29 -7.230 8.119 -12.118 1.00 0.00 C ATOM 208 C ALA A 29 -7.744 6.799 -12.684 1.00 0.00 C ATOM 209 O ALA A 29 -8.402 6.774 -13.724 1.00 0.00 O ATOM 210 CB ALA A 29 -5.878 8.460 -12.736 1.00 0.00 C ATOM 0 H ALA A 29 -7.550 7.205 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.933 8.912 -12.372 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.975 8.505 -13.821 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.540 9.426 -12.362 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.151 7.693 -12.468 1.00 0.00 H new ATOM 216 N HIS A 30 -7.434 5.697 -11.996 1.00 0.00 N ATOM 217 CA HIS A 30 -7.861 4.379 -12.442 1.00 0.00 C ATOM 218 C HIS A 30 -9.016 3.838 -11.596 1.00 0.00 C ATOM 219 O HIS A 30 -9.481 4.478 -10.648 1.00 0.00 O ATOM 220 CB HIS A 30 -6.685 3.398 -12.421 1.00 0.00 C ATOM 221 CG HIS A 30 -6.589 2.554 -13.654 1.00 0.00 C ATOM 222 ND1 HIS A 30 -7.137 1.293 -13.748 1.00 0.00 N ATOM 223 CD2 HIS A 30 -6.004 2.798 -14.852 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.892 0.796 -14.948 1.00 0.00 C ATOM 225 NE2 HIS A 30 -6.207 1.689 -15.636 1.00 0.00 N ATOM 0 H HIS A 30 -6.891 5.696 -11.132 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.221 4.483 -13.466 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.757 3.958 -12.300 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.780 2.748 -11.552 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.477 3.697 -15.137 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.200 -0.176 -15.305 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -5.881 1.574 -16.596 1.00 0.00 H new ATOM 234 N SER A 31 -9.472 2.647 -11.966 1.00 0.00 N ATOM 235 CA SER A 31 -10.587 1.972 -11.296 1.00 0.00 C ATOM 236 C SER A 31 -10.530 2.099 -9.774 1.00 0.00 C ATOM 237 O SER A 31 -11.275 2.879 -9.180 1.00 0.00 O ATOM 238 CB SER A 31 -10.615 0.493 -11.690 1.00 0.00 C ATOM 239 OG SER A 31 -11.595 -0.214 -10.948 1.00 0.00 O ATOM 0 H SER A 31 -9.079 2.116 -12.743 1.00 0.00 H new ATOM 0 HA SER A 31 -11.501 2.467 -11.626 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.825 0.401 -12.756 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.634 0.049 -11.519 1.00 0.00 H new ATOM 0 HG SER A 31 -11.594 -1.156 -11.219 1.00 0.00 H new ATOM 245 N SER A 32 -9.657 1.323 -9.151 1.00 0.00 N ATOM 246 CA SER A 32 -9.524 1.345 -7.703 1.00 0.00 C ATOM 247 C SER A 32 -8.455 2.337 -7.251 1.00 0.00 C ATOM 248 O SER A 32 -7.648 2.027 -6.380 1.00 0.00 O ATOM 249 CB SER A 32 -9.197 -0.057 -7.183 1.00 0.00 C ATOM 250 OG SER A 32 -9.974 -1.041 -7.845 1.00 0.00 O ATOM 0 H SER A 32 -9.031 0.671 -9.624 1.00 0.00 H new ATOM 0 HA SER A 32 -10.477 1.671 -7.286 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.137 -0.265 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.384 -0.103 -6.110 1.00 0.00 H new ATOM 0 HG SER A 32 -9.745 -1.928 -7.496 1.00 0.00 H new ATOM 256 N GLU A 33 -8.451 3.531 -7.844 1.00 0.00 N ATOM 257 CA GLU A 33 -7.487 4.552 -7.492 1.00 0.00 C ATOM 258 C GLU A 33 -8.098 5.591 -6.566 1.00 0.00 C ATOM 259 O GLU A 33 -9.304 5.835 -6.598 1.00 0.00 O ATOM 260 CB GLU A 33 -6.978 5.231 -8.752 1.00 0.00 C ATOM 261 CG GLU A 33 -5.764 4.558 -9.326 1.00 0.00 C ATOM 262 CD GLU A 33 -4.764 5.527 -9.930 1.00 0.00 C ATOM 263 OE1 GLU A 33 -5.026 6.748 -9.909 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.716 5.063 -10.427 1.00 0.00 O ATOM 0 H GLU A 33 -9.110 3.807 -8.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.660 4.072 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.771 5.240 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.740 6.271 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.272 3.983 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.079 3.849 -10.092 1.00 0.00 H new ATOM 271 N LEU A 34 -7.255 6.206 -5.754 1.00 0.00 N ATOM 272 CA LEU A 34 -7.698 7.229 -4.831 1.00 0.00 C ATOM 273 C LEU A 34 -6.601 8.254 -4.591 1.00 0.00 C ATOM 274 O LEU A 34 -5.433 8.020 -4.903 1.00 0.00 O ATOM 275 CB LEU A 34 -8.144 6.616 -3.511 1.00 0.00 C ATOM 276 CG LEU A 34 -7.464 5.310 -3.099 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.118 5.585 -2.458 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.362 4.577 -2.126 1.00 0.00 C ATOM 0 H LEU A 34 -6.255 6.011 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.552 7.735 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.980 7.350 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.218 6.439 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.297 4.697 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.652 4.642 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.477 6.107 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.257 6.204 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.887 3.643 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.530 5.199 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.317 4.360 -2.605 1.00 0.00 H new ATOM 290 N SER A 35 -6.988 9.390 -4.034 1.00 0.00 N ATOM 291 CA SER A 35 -6.065 10.457 -3.745 1.00 0.00 C ATOM 292 C SER A 35 -5.496 10.309 -2.350 1.00 0.00 C ATOM 293 O SER A 35 -6.221 10.103 -1.376 1.00 0.00 O ATOM 294 CB SER A 35 -6.751 11.813 -3.895 1.00 0.00 C ATOM 295 OG SER A 35 -8.134 11.721 -3.599 1.00 0.00 O ATOM 0 H SER A 35 -7.953 9.591 -3.772 1.00 0.00 H new ATOM 0 HA SER A 35 -5.244 10.400 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.281 12.537 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.617 12.181 -4.912 1.00 0.00 H new ATOM 0 HG SER A 35 -8.550 12.603 -3.701 1.00 0.00 H new ATOM 301 N ILE A 36 -4.189 10.418 -2.278 1.00 0.00 N ATOM 302 CA ILE A 36 -3.471 10.303 -1.023 1.00 0.00 C ATOM 303 C ILE A 36 -2.511 11.470 -0.848 1.00 0.00 C ATOM 304 O ILE A 36 -2.344 12.297 -1.745 1.00 0.00 O ATOM 305 CB ILE A 36 -2.678 8.983 -0.948 1.00 0.00 C ATOM 306 CG1 ILE A 36 -1.777 8.839 -2.173 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.631 7.799 -0.842 1.00 0.00 C ATOM 308 CD1 ILE A 36 -0.396 9.421 -1.986 1.00 0.00 C ATOM 0 H ILE A 36 -3.591 10.589 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.212 10.314 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.051 9.000 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.685 7.782 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.255 9.327 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.057 6.874 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.239 7.900 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.280 7.775 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.185 9.281 -2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.476 10.486 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.102 8.917 -1.158 1.00 0.00 H new ATOM 320 N GLN A 37 -1.892 11.529 0.315 1.00 0.00 N ATOM 321 CA GLN A 37 -0.957 12.578 0.643 1.00 0.00 C ATOM 322 C GLN A 37 0.297 12.009 1.293 1.00 0.00 C ATOM 323 O GLN A 37 0.258 10.968 1.938 1.00 0.00 O ATOM 324 CB GLN A 37 -1.627 13.573 1.577 1.00 0.00 C ATOM 325 CG GLN A 37 -2.279 14.740 0.856 1.00 0.00 C ATOM 326 CD GLN A 37 -3.729 14.945 1.257 1.00 0.00 C ATOM 327 OE1 GLN A 37 -4.154 14.520 2.330 1.00 0.00 O ATOM 328 NE2 GLN A 37 -4.494 15.601 0.392 1.00 0.00 N ATOM 0 H GLN A 37 -2.027 10.845 1.060 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.658 13.082 -0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.382 13.053 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.885 13.958 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.717 15.650 1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.225 14.572 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.099 15.936 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.477 15.770 0.606 1.00 0.00 H new ATOM 337 N VAL A 38 1.405 12.704 1.115 1.00 0.00 N ATOM 338 CA VAL A 38 2.679 12.275 1.678 1.00 0.00 C ATOM 339 C VAL A 38 2.676 12.353 3.208 1.00 0.00 C ATOM 340 O VAL A 38 2.594 13.442 3.777 1.00 0.00 O ATOM 341 CB VAL A 38 3.827 13.155 1.139 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.585 14.616 1.479 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.175 12.692 1.678 1.00 0.00 C ATOM 0 H VAL A 38 1.452 13.573 0.583 1.00 0.00 H new ATOM 0 HA VAL A 38 2.829 11.237 1.380 1.00 0.00 H new ATOM 0 HB VAL A 38 3.848 13.052 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.405 15.221 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.648 14.944 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.529 14.733 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.964 13.330 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.172 12.753 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.354 11.661 1.373 1.00 0.00 H new ATOM 353 N GLY A 39 2.804 11.202 3.871 1.00 0.00 N ATOM 354 CA GLY A 39 2.853 11.194 5.325 1.00 0.00 C ATOM 355 C GLY A 39 1.771 10.368 5.989 1.00 0.00 C ATOM 356 O GLY A 39 1.881 10.038 7.169 1.00 0.00 O ATOM 0 H GLY A 39 2.874 10.284 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.825 10.816 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.779 12.221 5.683 1.00 0.00 H new ATOM 360 N GLN A 40 0.720 10.046 5.255 1.00 0.00 N ATOM 361 CA GLN A 40 -0.371 9.278 5.806 1.00 0.00 C ATOM 362 C GLN A 40 -0.066 7.787 5.835 1.00 0.00 C ATOM 363 O GLN A 40 0.923 7.331 5.262 1.00 0.00 O ATOM 364 CB GLN A 40 -1.631 9.552 5.015 1.00 0.00 C ATOM 365 CG GLN A 40 -1.603 8.973 3.630 1.00 0.00 C ATOM 366 CD GLN A 40 -2.883 9.205 2.864 1.00 0.00 C ATOM 367 OE1 GLN A 40 -3.434 8.286 2.263 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.366 10.434 2.883 1.00 0.00 N ATOM 0 H GLN A 40 0.604 10.307 4.276 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.515 9.589 6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.486 9.144 5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.782 10.629 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.772 9.410 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.415 7.901 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.875 11.167 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.230 10.650 2.385 1.00 0.00 H new ATOM 377 N THR A 41 -0.937 7.034 6.496 1.00 0.00 N ATOM 378 CA THR A 41 -0.774 5.587 6.588 1.00 0.00 C ATOM 379 C THR A 41 -1.964 4.852 6.005 1.00 0.00 C ATOM 380 O THR A 41 -3.086 4.959 6.502 1.00 0.00 O ATOM 381 CB THR A 41 -0.577 5.107 8.040 1.00 0.00 C ATOM 382 OG1 THR A 41 0.702 5.482 8.529 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.720 3.583 8.203 1.00 0.00 C ATOM 0 H THR A 41 -1.761 7.399 6.975 1.00 0.00 H new ATOM 0 HA THR A 41 0.123 5.359 6.012 1.00 0.00 H new ATOM 0 HB THR A 41 -1.369 5.590 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.804 5.169 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.570 3.313 9.248 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.717 3.275 7.889 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.026 3.080 7.588 1.00 0.00 H new ATOM 391 N VAL A 42 -1.687 4.039 5.014 1.00 0.00 N ATOM 392 CA VAL A 42 -2.695 3.205 4.429 1.00 0.00 C ATOM 393 C VAL A 42 -2.053 1.859 4.096 1.00 0.00 C ATOM 394 O VAL A 42 -0.901 1.786 3.671 1.00 0.00 O ATOM 395 CB VAL A 42 -3.407 3.890 3.221 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.498 2.976 2.038 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.809 4.344 3.612 1.00 0.00 C ATOM 0 H VAL A 42 -0.761 3.941 4.597 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.505 3.035 5.138 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.804 4.755 2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.000 3.490 1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.495 2.686 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.065 2.085 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.289 4.819 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.397 3.481 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.745 5.057 4.434 1.00 0.00 H new ATOM 407 N GLU A 43 -2.801 0.806 4.352 1.00 0.00 N ATOM 408 CA GLU A 43 -2.321 -0.548 4.146 1.00 0.00 C ATOM 409 C GLU A 43 -2.356 -0.980 2.685 1.00 0.00 C ATOM 410 O GLU A 43 -3.398 -0.944 2.039 1.00 0.00 O ATOM 411 CB GLU A 43 -3.161 -1.518 4.974 1.00 0.00 C ATOM 412 CG GLU A 43 -4.626 -1.544 4.560 1.00 0.00 C ATOM 413 CD GLU A 43 -5.472 -2.418 5.465 1.00 0.00 C ATOM 414 OE1 GLU A 43 -5.800 -1.973 6.585 1.00 0.00 O ATOM 415 OE2 GLU A 43 -5.808 -3.549 5.053 1.00 0.00 O ATOM 0 H GLU A 43 -3.755 0.862 4.707 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.278 -0.565 4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.745 -2.521 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.092 -1.242 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.021 -0.528 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.704 -1.906 3.535 1.00 0.00 H new ATOM 422 N LEU A 44 -1.203 -1.412 2.178 1.00 0.00 N ATOM 423 CA LEU A 44 -1.100 -1.873 0.811 1.00 0.00 C ATOM 424 C LEU A 44 -1.823 -3.186 0.615 1.00 0.00 C ATOM 425 O LEU A 44 -1.895 -4.027 1.523 1.00 0.00 O ATOM 426 CB LEU A 44 0.345 -2.017 0.359 1.00 0.00 C ATOM 427 CG LEU A 44 1.281 -2.801 1.286 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.126 -4.303 1.065 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.724 -2.371 1.058 1.00 0.00 C ATOM 0 H LEU A 44 -0.329 -1.449 2.702 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.575 -1.109 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.349 -2.501 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.760 -1.018 0.222 1.00 0.00 H new ATOM 0 HG LEU A 44 1.011 -2.582 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.799 -4.840 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.097 -4.597 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.371 -4.546 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.381 -2.934 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.002 -2.565 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.824 -1.306 1.267 1.00 0.00 H new ATOM 441 N LEU A 45 -2.351 -3.335 -0.591 1.00 0.00 N ATOM 442 CA LEU A 45 -3.097 -4.523 -0.979 1.00 0.00 C ATOM 443 C LEU A 45 -2.164 -5.697 -1.251 1.00 0.00 C ATOM 444 O LEU A 45 -2.276 -6.741 -0.611 1.00 0.00 O ATOM 445 CB LEU A 45 -3.952 -4.237 -2.218 1.00 0.00 C ATOM 446 CG LEU A 45 -4.671 -2.883 -2.228 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.138 -2.528 -3.633 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.853 -2.907 -1.282 1.00 0.00 C ATOM 0 H LEU A 45 -2.274 -2.635 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.750 -4.791 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.314 -4.296 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.699 -5.025 -2.312 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.965 -2.122 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.645 -1.563 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.277 -2.473 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.826 -3.293 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.353 -1.939 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.553 -3.683 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.505 -3.117 -0.270 1.00 0.00 H new ATOM 460 N GLU A 46 -1.251 -5.537 -2.208 1.00 0.00 N ATOM 461 CA GLU A 46 -0.327 -6.589 -2.552 1.00 0.00 C ATOM 462 C GLU A 46 1.116 -6.064 -2.573 1.00 0.00 C ATOM 463 O GLU A 46 1.436 -5.089 -1.894 1.00 0.00 O ATOM 464 CB GLU A 46 -0.736 -7.192 -3.899 1.00 0.00 C ATOM 465 CG GLU A 46 -0.433 -6.312 -5.102 1.00 0.00 C ATOM 466 CD GLU A 46 -1.426 -6.515 -6.230 1.00 0.00 C ATOM 467 OE1 GLU A 46 -2.587 -6.079 -6.086 1.00 0.00 O ATOM 468 OE2 GLU A 46 -1.043 -7.116 -7.256 1.00 0.00 O ATOM 0 H GLU A 46 -1.140 -4.682 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.364 -7.373 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.225 -8.147 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.805 -7.403 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.444 -5.266 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.572 -6.528 -5.463 1.00 0.00 H new ATOM 577 N GLY A 53 8.447 -2.077 -8.541 1.00 0.00 N ATOM 578 CA GLY A 53 8.483 -0.633 -8.495 1.00 0.00 C ATOM 579 C GLY A 53 7.153 -0.022 -8.122 1.00 0.00 C ATOM 580 O GLY A 53 7.072 1.175 -7.879 1.00 0.00 O ATOM 0 HA2 GLY A 53 9.237 -0.316 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.792 -0.251 -9.468 1.00 0.00 H new ATOM 584 N TRP A 54 6.110 -0.839 -8.113 1.00 0.00 N ATOM 585 CA TRP A 54 4.769 -0.396 -7.798 1.00 0.00 C ATOM 586 C TRP A 54 4.295 -0.844 -6.404 1.00 0.00 C ATOM 587 O TRP A 54 4.839 -1.778 -5.816 1.00 0.00 O ATOM 588 CB TRP A 54 3.812 -0.909 -8.872 1.00 0.00 C ATOM 589 CG TRP A 54 3.195 -2.251 -8.584 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.799 -3.336 -8.017 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.848 -2.626 -8.835 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.897 -4.373 -7.910 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.691 -3.957 -8.413 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.764 -1.958 -9.385 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.480 -4.633 -8.526 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.442 -2.623 -9.500 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.575 -3.951 -9.073 1.00 0.00 C ATOM 0 H TRP A 54 6.176 -1.834 -8.326 1.00 0.00 H new ATOM 0 HA TRP A 54 4.778 0.694 -7.780 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.013 -0.179 -9.004 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.350 -0.968 -9.818 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.830 -3.376 -7.699 1.00 0.00 H new ATOM 0 HE1 TRP A 54 3.094 -5.295 -7.522 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.861 -0.935 -9.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.376 -5.656 -8.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.294 -2.112 -9.925 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.529 -4.447 -9.177 1.00 0.00 H new ATOM 608 N CYS A 55 3.240 -0.187 -5.918 1.00 0.00 N ATOM 609 CA CYS A 55 2.635 -0.527 -4.629 1.00 0.00 C ATOM 610 C CYS A 55 1.200 -0.024 -4.551 1.00 0.00 C ATOM 611 O CYS A 55 0.800 0.890 -5.263 1.00 0.00 O ATOM 612 CB CYS A 55 3.440 0.003 -3.450 1.00 0.00 C ATOM 613 SG CYS A 55 3.649 -1.189 -2.107 1.00 0.00 S ATOM 0 H CYS A 55 2.785 0.588 -6.401 1.00 0.00 H new ATOM 0 HA CYS A 55 2.636 -1.615 -4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.423 0.312 -3.804 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.948 0.893 -3.058 1.00 0.00 H new ATOM 0 HG CYS A 55 3.131 -0.709 -1.016 1.00 0.00 H new ATOM 619 N LEU A 56 0.424 -0.660 -3.705 1.00 0.00 N ATOM 620 CA LEU A 56 -0.979 -0.322 -3.542 1.00 0.00 C ATOM 621 C LEU A 56 -1.268 0.290 -2.179 1.00 0.00 C ATOM 622 O LEU A 56 -0.490 0.124 -1.243 1.00 0.00 O ATOM 623 CB LEU A 56 -1.799 -1.584 -3.732 1.00 0.00 C ATOM 624 CG LEU A 56 -2.039 -2.010 -5.187 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.816 -1.745 -6.065 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.400 -3.480 -5.242 1.00 0.00 C ATOM 0 H LEU A 56 0.742 -1.425 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.246 0.428 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.300 -2.401 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.766 -1.443 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.864 -1.413 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.027 -2.060 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.584 -0.680 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.036 -2.306 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.569 -3.775 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.584 -4.071 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.307 -3.654 -4.663 1.00 0.00 H new ATOM 638 N VAL A 57 -2.388 1.010 -2.072 1.00 0.00 N ATOM 639 CA VAL A 57 -2.754 1.641 -0.808 1.00 0.00 C ATOM 640 C VAL A 57 -4.250 1.469 -0.494 1.00 0.00 C ATOM 641 O VAL A 57 -5.097 1.915 -1.248 1.00 0.00 O ATOM 642 CB VAL A 57 -2.406 3.157 -0.827 1.00 0.00 C ATOM 643 CG1 VAL A 57 -0.999 3.394 -0.289 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.560 3.761 -2.212 1.00 0.00 C ATOM 0 H VAL A 57 -3.046 1.167 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.178 1.143 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.119 3.660 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.776 4.461 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.936 3.031 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.278 2.860 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.307 4.821 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.893 3.251 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.591 3.645 -2.547 1.00 0.00 H new ATOM 816 N GLY A 68 -6.224 1.925 -3.436 1.00 0.00 N ATOM 817 CA GLY A 68 -5.499 2.756 -4.386 1.00 0.00 C ATOM 818 C GLY A 68 -4.320 2.071 -5.043 1.00 0.00 C ATOM 819 O GLY A 68 -3.980 0.934 -4.712 1.00 0.00 O ATOM 0 HA2 GLY A 68 -6.190 3.087 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.144 3.649 -3.872 1.00 0.00 H new ATOM 823 N LEU A 69 -3.697 2.782 -5.982 1.00 0.00 N ATOM 824 CA LEU A 69 -2.548 2.266 -6.710 1.00 0.00 C ATOM 825 C LEU A 69 -1.557 3.372 -7.062 1.00 0.00 C ATOM 826 O LEU A 69 -1.935 4.429 -7.566 1.00 0.00 O ATOM 827 CB LEU A 69 -3.009 1.562 -7.983 1.00 0.00 C ATOM 828 CG LEU A 69 -3.272 0.073 -7.814 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.652 -0.168 -7.207 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.129 -0.642 -9.148 1.00 0.00 C ATOM 0 H LEU A 69 -3.975 3.725 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.038 1.554 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.920 2.042 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.252 1.700 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.531 -0.335 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.818 -1.239 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.709 0.312 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.416 0.251 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.320 -1.707 -9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.846 -0.232 -9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.118 -0.500 -9.530 1.00 0.00 H new ATOM 842 N VAL A 70 -0.285 3.102 -6.802 1.00 0.00 N ATOM 843 CA VAL A 70 0.791 4.045 -7.094 1.00 0.00 C ATOM 844 C VAL A 70 2.106 3.286 -7.147 1.00 0.00 C ATOM 845 O VAL A 70 2.136 2.089 -6.878 1.00 0.00 O ATOM 846 CB VAL A 70 0.904 5.194 -6.045 1.00 0.00 C ATOM 847 CG1 VAL A 70 0.459 6.513 -6.654 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.106 4.900 -4.775 1.00 0.00 C ATOM 0 H VAL A 70 0.031 2.227 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 70 0.561 4.512 -8.052 1.00 0.00 H new ATOM 0 HB VAL A 70 1.953 5.266 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.544 7.305 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.091 6.750 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.578 6.432 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.216 5.729 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.947 4.776 -5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.479 3.985 -4.315 1.00 0.00 H new ATOM 858 N PRO A 71 3.222 3.944 -7.482 1.00 0.00 N ATOM 859 CA PRO A 71 4.491 3.275 -7.530 1.00 0.00 C ATOM 860 C PRO A 71 5.202 3.316 -6.187 1.00 0.00 C ATOM 861 O PRO A 71 5.016 4.237 -5.397 1.00 0.00 O ATOM 862 CB PRO A 71 5.258 4.043 -8.586 1.00 0.00 C ATOM 863 CG PRO A 71 4.699 5.436 -8.534 1.00 0.00 C ATOM 864 CD PRO A 71 3.355 5.363 -7.828 1.00 0.00 C ATOM 0 HA PRO A 71 4.395 2.214 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.328 4.039 -8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.123 3.600 -9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.377 6.101 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.582 5.840 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.334 5.995 -6.941 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.544 5.695 -8.476 1.00 0.00 H new ATOM 872 N SER A 72 6.008 2.299 -5.939 1.00 0.00 N ATOM 873 CA SER A 72 6.768 2.164 -4.701 1.00 0.00 C ATOM 874 C SER A 72 7.434 3.481 -4.291 1.00 0.00 C ATOM 875 O SER A 72 7.644 3.737 -3.109 1.00 0.00 O ATOM 876 CB SER A 72 7.828 1.071 -4.869 1.00 0.00 C ATOM 877 OG SER A 72 8.867 1.204 -3.914 1.00 0.00 O ATOM 0 H SER A 72 6.157 1.533 -6.596 1.00 0.00 H new ATOM 0 HA SER A 72 6.072 1.890 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.361 0.091 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.247 1.121 -5.874 1.00 0.00 H new ATOM 0 HG SER A 72 9.526 0.491 -4.047 1.00 0.00 H new ATOM 883 N SER A 73 7.758 4.318 -5.271 1.00 0.00 N ATOM 884 CA SER A 73 8.389 5.603 -4.992 1.00 0.00 C ATOM 885 C SER A 73 7.501 6.445 -4.077 1.00 0.00 C ATOM 886 O SER A 73 7.992 7.232 -3.268 1.00 0.00 O ATOM 887 CB SER A 73 8.662 6.357 -6.295 1.00 0.00 C ATOM 888 OG SER A 73 8.837 5.460 -7.377 1.00 0.00 O ATOM 0 H SER A 73 7.595 4.131 -6.260 1.00 0.00 H new ATOM 0 HA SER A 73 9.337 5.418 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.833 7.032 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.554 6.973 -6.182 1.00 0.00 H new ATOM 0 HG SER A 73 9.008 5.967 -8.198 1.00 0.00 H new ATOM 894 N THR A 74 6.191 6.273 -4.224 1.00 0.00 N ATOM 895 CA THR A 74 5.214 7.003 -3.435 1.00 0.00 C ATOM 896 C THR A 74 4.591 6.104 -2.367 1.00 0.00 C ATOM 897 O THR A 74 3.609 6.484 -1.736 1.00 0.00 O ATOM 898 CB THR A 74 4.126 7.538 -4.361 1.00 0.00 C ATOM 899 OG1 THR A 74 3.003 6.674 -4.414 1.00 0.00 O ATOM 900 CG2 THR A 74 4.612 7.737 -5.772 1.00 0.00 C ATOM 0 H THR A 74 5.780 5.623 -4.894 1.00 0.00 H new ATOM 0 HA THR A 74 5.715 7.830 -2.931 1.00 0.00 H new ATOM 0 HB THR A 74 3.843 8.500 -3.934 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.180 7.207 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.797 8.119 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.435 8.451 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.956 6.785 -6.176 1.00 0.00 H new ATOM 908 N LEU A 75 5.152 4.913 -2.178 1.00 0.00 N ATOM 909 CA LEU A 75 4.648 3.972 -1.204 1.00 0.00 C ATOM 910 C LEU A 75 5.792 3.326 -0.438 1.00 0.00 C ATOM 911 O LEU A 75 6.746 2.819 -1.023 1.00 0.00 O ATOM 912 CB LEU A 75 3.839 2.887 -1.892 1.00 0.00 C ATOM 913 CG LEU A 75 2.583 3.373 -2.628 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.686 3.098 -4.124 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.331 2.718 -2.052 1.00 0.00 C ATOM 0 H LEU A 75 5.965 4.582 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 75 4.013 4.518 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.483 2.374 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.541 2.151 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 75 2.507 4.451 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.783 3.452 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.553 3.619 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.796 2.026 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.453 3.077 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.404 1.636 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.240 2.973 -0.996 1.00 0.00 H new