USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 379 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 Single : A 1 ALA N :NH3+ -104:sc= 0.0663 (180deg=0) USER MOD Single : A 2 HIS : no HE2:sc= -8.38! C(o=-8.4!,f=-9.5!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 9 ASN : amide:sc=-0.00741 X(o=-0.0074,f=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.245 F(o=-2.2,f=-0.25) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0302) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -4.17! C(o=-5.8!,f=-4.2!) USER MOD Single : A 35 ASN : amide:sc= -6.83! C(o=-6.8!,f=-11!) USER MOD Single : A 36 MET CE :methyl 178:sc= -4.19 (180deg=-4.2) USER MOD Single : A 43 HIS : no HD1:sc= -7.37! C(o=-7.4!,f=-9!) USER MOD Single : A 49 TYR OH : rot -178:sc= -8.85! USER MOD Single : A 50 SER OG : rot 53:sc= -0.3 USER MOD Single : A 51 ASN : amide:sc= 0.462 K(o=0.46,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.216 -4.534 2.008 1.00 0.00 N ATOM 2 CA ALA A 1 8.991 -4.471 0.742 1.00 0.00 C ATOM 3 C ALA A 1 8.329 -3.533 -0.263 1.00 0.00 C ATOM 4 O ALA A 1 7.151 -3.203 -0.136 1.00 0.00 O ATOM 5 CB ALA A 1 9.138 -5.863 0.146 1.00 0.00 C ATOM 0 H1 ALA A 1 8.699 -3.974 2.739 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.262 -4.150 1.851 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.143 -5.523 2.322 1.00 0.00 H new ATOM 0 HA ALA A 1 9.981 -4.076 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.708 -5.803 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.661 -6.508 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.151 -6.276 -0.061 1.00 0.00 H new ATOM 13 N HIS A 2 9.095 -3.112 -1.265 1.00 0.00 N ATOM 14 CA HIS A 2 8.589 -2.216 -2.301 1.00 0.00 C ATOM 15 C HIS A 2 7.933 -3.018 -3.415 1.00 0.00 C ATOM 16 O HIS A 2 8.264 -2.869 -4.591 1.00 0.00 O ATOM 17 CB HIS A 2 9.733 -1.367 -2.864 1.00 0.00 C ATOM 18 CG HIS A 2 10.856 -1.154 -1.895 1.00 0.00 C ATOM 19 ND1 HIS A 2 10.659 -1.006 -0.539 1.00 0.00 N ATOM 20 CD2 HIS A 2 12.193 -1.057 -2.092 1.00 0.00 C ATOM 21 CE1 HIS A 2 11.822 -0.824 0.056 1.00 0.00 C ATOM 22 NE2 HIS A 2 12.770 -0.853 -0.862 1.00 0.00 N ATOM 0 H HIS A 2 10.073 -3.378 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 2 7.843 -1.555 -1.861 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.124 -1.848 -3.760 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.339 -0.398 -3.169 1.00 0.00 H new ATOM 0 HD1 HIS A 2 9.754 -1.033 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.708 -1.127 -3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 2 11.973 -0.676 1.115 1.00 0.00 H new ATOM 31 N MET A 3 7.006 -3.875 -3.022 1.00 0.00 N ATOM 32 CA MET A 3 6.291 -4.727 -3.977 1.00 0.00 C ATOM 33 C MET A 3 5.143 -5.521 -3.337 1.00 0.00 C ATOM 34 O MET A 3 4.012 -5.490 -3.817 1.00 0.00 O ATOM 35 CB MET A 3 7.268 -5.694 -4.651 1.00 0.00 C ATOM 36 CG MET A 3 8.292 -6.296 -3.700 1.00 0.00 C ATOM 37 SD MET A 3 9.991 -6.045 -4.255 1.00 0.00 S ATOM 38 CE MET A 3 10.738 -7.597 -3.768 1.00 0.00 C ATOM 0 H MET A 3 6.726 -4.005 -2.050 1.00 0.00 H new ATOM 0 HA MET A 3 5.846 -4.060 -4.715 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.702 -6.500 -5.118 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.792 -5.168 -5.449 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.168 -5.853 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.102 -7.364 -3.597 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.792 -7.596 -4.044 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.646 -7.722 -2.689 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.231 -8.419 -4.273 1.00 0.00 H new ATOM 48 N ASP A 4 5.464 -6.270 -2.281 1.00 0.00 N ATOM 49 CA ASP A 4 4.493 -7.127 -1.585 1.00 0.00 C ATOM 50 C ASP A 4 3.171 -6.417 -1.272 1.00 0.00 C ATOM 51 O ASP A 4 3.100 -5.593 -0.359 1.00 0.00 O ATOM 52 CB ASP A 4 5.108 -7.657 -0.288 1.00 0.00 C ATOM 53 CG ASP A 4 5.741 -9.023 -0.466 1.00 0.00 C ATOM 54 OD1 ASP A 4 6.388 -9.246 -1.511 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.590 -9.869 0.440 1.00 0.00 O ATOM 0 H ASP A 4 6.402 -6.302 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 4 4.259 -7.947 -2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.861 -6.954 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.337 -7.714 0.480 1.00 0.00 H new ATOM 60 N CYS A 5 2.119 -6.766 -2.018 1.00 0.00 N ATOM 61 CA CYS A 5 0.790 -6.183 -1.809 1.00 0.00 C ATOM 62 C CYS A 5 -0.297 -7.068 -2.425 1.00 0.00 C ATOM 63 O CYS A 5 -0.061 -8.242 -2.712 1.00 0.00 O ATOM 64 CB CYS A 5 0.717 -4.781 -2.411 1.00 0.00 C ATOM 65 SG CYS A 5 1.264 -4.687 -4.147 1.00 0.00 S ATOM 0 H CYS A 5 2.162 -7.450 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 5 0.620 -6.117 -0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.310 -4.422 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.329 -4.107 -1.811 1.00 0.00 H new ATOM 70 N THR A 6 -1.490 -6.497 -2.634 1.00 0.00 N ATOM 71 CA THR A 6 -2.601 -7.236 -3.222 1.00 0.00 C ATOM 72 C THR A 6 -2.188 -7.907 -4.541 1.00 0.00 C ATOM 73 O THR A 6 -2.844 -8.854 -4.968 1.00 0.00 O ATOM 74 CB THR A 6 -3.782 -6.293 -3.473 1.00 0.00 C ATOM 75 OG1 THR A 6 -3.377 -4.939 -3.375 1.00 0.00 O ATOM 76 CG2 THR A 6 -4.926 -6.500 -2.506 1.00 0.00 C ATOM 0 H THR A 6 -1.705 -5.527 -2.403 1.00 0.00 H new ATOM 0 HA THR A 6 -2.896 -8.015 -2.519 1.00 0.00 H new ATOM 0 HB THR A 6 -4.128 -6.528 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.146 -4.355 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.730 -5.801 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.296 -7.521 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.578 -6.327 -1.488 1.00 0.00 H new ATOM 84 N GLU A 7 -1.104 -7.408 -5.192 1.00 0.00 N ATOM 85 CA GLU A 7 -0.625 -7.960 -6.471 1.00 0.00 C ATOM 86 C GLU A 7 -1.143 -9.375 -6.731 1.00 0.00 C ATOM 87 O GLU A 7 -0.469 -10.363 -6.441 1.00 0.00 O ATOM 88 CB GLU A 7 0.906 -7.966 -6.495 1.00 0.00 C ATOM 89 CG GLU A 7 1.516 -6.636 -6.908 1.00 0.00 C ATOM 90 CD GLU A 7 2.909 -6.434 -6.342 1.00 0.00 C ATOM 91 OE1 GLU A 7 3.313 -7.222 -5.461 1.00 0.00 O ATOM 92 OE2 GLU A 7 3.596 -5.487 -6.781 1.00 0.00 O ATOM 0 H GLU A 7 -0.551 -6.624 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.014 -7.318 -7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.275 -8.233 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.247 -8.741 -7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.558 -6.582 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.870 -5.824 -6.573 1.00 0.00 H new ATOM 99 N PHE A 8 -2.350 -9.450 -7.280 1.00 0.00 N ATOM 100 CA PHE A 8 -2.987 -10.725 -7.589 1.00 0.00 C ATOM 101 C PHE A 8 -4.097 -10.517 -8.617 1.00 0.00 C ATOM 102 O PHE A 8 -4.125 -9.497 -9.307 1.00 0.00 O ATOM 103 CB PHE A 8 -3.549 -11.351 -6.308 1.00 0.00 C ATOM 104 CG PHE A 8 -2.508 -12.032 -5.468 1.00 0.00 C ATOM 105 CD1 PHE A 8 -1.790 -13.106 -5.969 1.00 0.00 C ATOM 106 CD2 PHE A 8 -2.247 -11.600 -4.177 1.00 0.00 C ATOM 107 CE1 PHE A 8 -0.831 -13.736 -5.200 1.00 0.00 C ATOM 108 CE2 PHE A 8 -1.288 -12.227 -3.403 1.00 0.00 C ATOM 109 CZ PHE A 8 -0.579 -13.296 -3.915 1.00 0.00 C ATOM 0 H PHE A 8 -2.912 -8.634 -7.522 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.246 -11.404 -8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.032 -10.574 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.320 -12.074 -6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.983 -13.455 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.799 -10.765 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.279 -14.572 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.093 -11.881 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.171 -13.787 -3.312 1.00 0.00 H new ATOM 119 N ASN A 9 -5.019 -11.472 -8.714 1.00 0.00 N ATOM 120 CA ASN A 9 -6.123 -11.358 -9.657 1.00 0.00 C ATOM 121 C ASN A 9 -7.083 -10.257 -9.212 1.00 0.00 C ATOM 122 O ASN A 9 -7.357 -9.322 -9.965 1.00 0.00 O ATOM 123 CB ASN A 9 -6.865 -12.693 -9.775 1.00 0.00 C ATOM 124 CG ASN A 9 -6.564 -13.410 -11.076 1.00 0.00 C ATOM 125 OD1 ASN A 9 -7.472 -13.780 -11.820 1.00 0.00 O ATOM 126 ND2 ASN A 9 -5.282 -13.612 -11.358 1.00 0.00 N ATOM 0 H ASN A 9 -5.022 -12.325 -8.155 1.00 0.00 H new ATOM 0 HA ASN A 9 -5.720 -11.098 -10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.589 -13.334 -8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.938 -12.517 -9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.019 -14.090 -12.219 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.561 -13.289 -10.713 1.00 0.00 H new ATOM 133 N PRO A 10 -7.599 -10.346 -7.973 1.00 0.00 N ATOM 134 CA PRO A 10 -8.516 -9.353 -7.425 1.00 0.00 C ATOM 135 C PRO A 10 -7.777 -8.225 -6.705 1.00 0.00 C ATOM 136 O PRO A 10 -7.552 -8.295 -5.498 1.00 0.00 O ATOM 137 CB PRO A 10 -9.325 -10.179 -6.433 1.00 0.00 C ATOM 138 CG PRO A 10 -8.356 -11.191 -5.911 1.00 0.00 C ATOM 139 CD PRO A 10 -7.329 -11.420 -6.998 1.00 0.00 C ATOM 0 HA PRO A 10 -9.112 -8.856 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.722 -9.558 -5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.177 -10.657 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.879 -10.834 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.867 -12.121 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.313 -11.359 -6.607 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.438 -12.406 -7.449 1.00 0.00 H new ATOM 147 N LEU A 11 -7.394 -7.192 -7.451 1.00 0.00 N ATOM 148 CA LEU A 11 -6.672 -6.058 -6.875 1.00 0.00 C ATOM 149 C LEU A 11 -7.439 -5.445 -5.723 1.00 0.00 C ATOM 150 O LEU A 11 -8.552 -5.873 -5.427 1.00 0.00 O ATOM 151 CB LEU A 11 -6.379 -5.004 -7.943 1.00 0.00 C ATOM 152 CG LEU A 11 -5.514 -5.487 -9.109 1.00 0.00 C ATOM 153 CD1 LEU A 11 -5.203 -4.339 -10.056 1.00 0.00 C ATOM 154 CD2 LEU A 11 -4.230 -6.118 -8.593 1.00 0.00 C ATOM 0 H LEU A 11 -7.570 -7.116 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.725 -6.432 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.326 -4.638 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.883 -4.157 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.072 -6.244 -9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.587 -4.703 -10.878 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.133 -3.932 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.665 -3.559 -9.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.627 -6.456 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.669 -5.382 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.473 -6.969 -7.956 1.00 0.00 H new ATOM 166 N CYS A 12 -6.810 -4.459 -5.064 1.00 0.00 N ATOM 167 CA CYS A 12 -7.384 -3.778 -3.905 1.00 0.00 C ATOM 168 C CYS A 12 -8.891 -3.946 -3.826 1.00 0.00 C ATOM 169 O CYS A 12 -9.666 -3.000 -3.956 1.00 0.00 O ATOM 170 CB CYS A 12 -6.981 -2.303 -3.877 1.00 0.00 C ATOM 171 SG CYS A 12 -7.947 -1.197 -4.965 1.00 0.00 S ATOM 0 H CYS A 12 -5.886 -4.115 -5.325 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.970 -4.255 -3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.068 -1.941 -2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.930 -2.227 -4.154 1.00 0.00 H new ATOM 176 N ARG A 13 -9.279 -5.177 -3.573 1.00 0.00 N ATOM 177 CA ARG A 13 -10.685 -5.531 -3.431 1.00 0.00 C ATOM 178 C ARG A 13 -11.091 -5.300 -1.991 1.00 0.00 C ATOM 179 O ARG A 13 -11.796 -6.102 -1.379 1.00 0.00 O ATOM 180 CB ARG A 13 -10.927 -6.989 -3.822 1.00 0.00 C ATOM 181 CG ARG A 13 -12.369 -7.276 -4.206 1.00 0.00 C ATOM 182 CD ARG A 13 -12.506 -8.610 -4.919 1.00 0.00 C ATOM 183 NE ARG A 13 -13.420 -8.528 -6.057 1.00 0.00 N ATOM 184 CZ ARG A 13 -13.703 -9.554 -6.855 1.00 0.00 C ATOM 185 NH1 ARG A 13 -13.146 -10.740 -6.643 1.00 0.00 N ATOM 186 NH2 ARG A 13 -14.542 -9.393 -7.869 1.00 0.00 N ATOM 0 H ARG A 13 -8.637 -5.961 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.284 -4.910 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.277 -7.246 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.645 -7.633 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.991 -7.276 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.739 -6.479 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.526 -8.940 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.867 -9.362 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.867 -7.632 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.498 -10.868 -5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.366 -11.524 -7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.970 -8.483 -8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.759 -10.180 -8.481 1.00 0.00 H new ATOM 200 N CYS A 14 -10.592 -4.199 -1.456 1.00 0.00 N ATOM 201 CA CYS A 14 -10.820 -3.820 -0.098 1.00 0.00 C ATOM 202 C CYS A 14 -11.301 -2.385 -0.037 1.00 0.00 C ATOM 203 O CYS A 14 -11.664 -1.784 -1.047 1.00 0.00 O ATOM 204 CB CYS A 14 -9.516 -3.990 0.689 1.00 0.00 C ATOM 205 SG CYS A 14 -8.064 -4.430 -0.324 1.00 0.00 S ATOM 0 H CYS A 14 -10.009 -3.541 -1.973 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.589 -4.454 0.343 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.304 -3.061 1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.662 -4.762 1.445 1.00 0.00 H new ATOM 210 N ASN A 15 -11.298 -1.861 1.159 1.00 0.00 N ATOM 211 CA ASN A 15 -11.731 -0.497 1.411 1.00 0.00 C ATOM 212 C ASN A 15 -10.557 0.392 1.793 1.00 0.00 C ATOM 213 O ASN A 15 -9.428 0.195 1.345 1.00 0.00 O ATOM 214 CB ASN A 15 -12.785 -0.489 2.526 1.00 0.00 C ATOM 215 CG ASN A 15 -13.909 0.498 2.269 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.578 1.630 1.660 1.00 0.00 O flip ATOM 217 ND2 ASN A 15 -15.062 0.243 2.614 1.00 0.00 N flip ATOM 0 H ASN A 15 -10.996 -2.363 1.994 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.167 -0.099 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.204 -1.490 2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.303 -0.245 3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.272 -0.640 3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.808 0.915 2.434 1.00 0.00 H new ATOM 224 N LYS A 16 -10.848 1.342 2.653 1.00 0.00 N ATOM 225 CA LYS A 16 -9.863 2.267 3.178 1.00 0.00 C ATOM 226 C LYS A 16 -9.928 2.184 4.688 1.00 0.00 C ATOM 227 O LYS A 16 -9.437 3.048 5.413 1.00 0.00 O ATOM 228 CB LYS A 16 -10.135 3.695 2.709 1.00 0.00 C ATOM 229 CG LYS A 16 -9.064 4.683 3.145 1.00 0.00 C ATOM 230 CD LYS A 16 -8.185 5.099 1.979 1.00 0.00 C ATOM 231 CE LYS A 16 -7.066 6.024 2.429 1.00 0.00 C ATOM 232 NZ LYS A 16 -5.936 5.274 3.045 1.00 0.00 N ATOM 0 H LYS A 16 -11.789 1.498 3.014 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.870 2.000 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.209 3.706 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.100 4.020 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.535 5.564 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.448 4.234 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.759 4.213 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.792 5.600 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.700 6.593 1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.458 6.744 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.195 5.942 3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.279 4.751 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.545 4.605 2.352 1.00 0.00 H new ATOM 246 N MET A 17 -10.571 1.112 5.139 1.00 0.00 N ATOM 247 CA MET A 17 -10.757 0.842 6.553 1.00 0.00 C ATOM 248 C MET A 17 -9.439 0.891 7.310 1.00 0.00 C ATOM 249 O MET A 17 -8.410 1.301 6.774 1.00 0.00 O ATOM 250 CB MET A 17 -11.446 -0.518 6.715 1.00 0.00 C ATOM 251 CG MET A 17 -10.504 -1.714 6.642 1.00 0.00 C ATOM 252 SD MET A 17 -11.033 -2.948 5.436 1.00 0.00 S ATOM 253 CE MET A 17 -9.729 -4.166 5.597 1.00 0.00 C ATOM 0 H MET A 17 -10.978 0.405 4.527 1.00 0.00 H new ATOM 0 HA MET A 17 -11.390 1.618 6.983 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.964 -0.537 7.674 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.206 -0.621 5.940 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.503 -1.367 6.385 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.438 -2.179 7.626 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.917 -4.993 4.912 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.770 -3.707 5.357 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.705 -4.541 6.620 1.00 0.00 H new ATOM 263 N LEU A 18 -9.490 0.486 8.564 1.00 0.00 N ATOM 264 CA LEU A 18 -8.307 0.495 9.419 1.00 0.00 C ATOM 265 C LEU A 18 -7.292 -0.551 8.967 1.00 0.00 C ATOM 266 O LEU A 18 -7.050 -1.541 9.656 1.00 0.00 O ATOM 267 CB LEU A 18 -8.686 0.263 10.891 1.00 0.00 C ATOM 268 CG LEU A 18 -9.793 -0.768 11.164 1.00 0.00 C ATOM 269 CD1 LEU A 18 -11.171 -0.134 11.028 1.00 0.00 C ATOM 270 CD2 LEU A 18 -9.660 -1.980 10.248 1.00 0.00 C ATOM 0 H LEU A 18 -10.337 0.145 9.019 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.849 1.480 9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.790 -0.049 11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.997 1.217 11.317 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.678 -1.114 12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.937 -0.883 11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.268 0.682 11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.295 0.254 10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.458 -2.690 10.466 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.733 -1.660 9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.694 -2.457 10.414 1.00 0.00 H new ATOM 282 N GLY A 19 -6.695 -0.311 7.803 1.00 0.00 N ATOM 283 CA GLY A 19 -5.705 -1.228 7.270 1.00 0.00 C ATOM 284 C GLY A 19 -4.468 -1.315 8.143 1.00 0.00 C ATOM 285 O GLY A 19 -4.508 -0.973 9.324 1.00 0.00 O ATOM 0 H GLY A 19 -6.880 0.504 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.148 -2.219 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.418 -0.907 6.269 1.00 0.00 H new ATOM 289 N ASP A 20 -3.367 -1.781 7.562 1.00 0.00 N ATOM 290 CA ASP A 20 -2.117 -1.922 8.292 1.00 0.00 C ATOM 291 C ASP A 20 -1.322 -0.619 8.287 1.00 0.00 C ATOM 292 O ASP A 20 -1.691 0.348 7.621 1.00 0.00 O ATOM 293 CB ASP A 20 -1.277 -3.043 7.680 1.00 0.00 C ATOM 294 CG ASP A 20 -2.123 -4.165 7.106 1.00 0.00 C ATOM 295 OD1 ASP A 20 -2.603 -4.021 5.962 1.00 0.00 O ATOM 296 OD2 ASP A 20 -2.305 -5.187 7.801 1.00 0.00 O ATOM 0 H ASP A 20 -3.318 -2.068 6.584 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.358 -2.170 9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.647 -2.630 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.611 -3.449 8.441 1.00 0.00 H new ATOM 301 N LEU A 21 -0.228 -0.606 9.043 1.00 0.00 N ATOM 302 CA LEU A 21 0.632 0.567 9.143 1.00 0.00 C ATOM 303 C LEU A 21 1.830 0.447 8.208 1.00 0.00 C ATOM 304 O LEU A 21 2.916 0.037 8.617 1.00 0.00 O ATOM 305 CB LEU A 21 1.114 0.722 10.581 1.00 0.00 C ATOM 306 CG LEU A 21 1.852 -0.496 11.140 1.00 0.00 C ATOM 307 CD1 LEU A 21 3.031 -0.061 11.994 1.00 0.00 C ATOM 308 CD2 LEU A 21 0.902 -1.374 11.939 1.00 0.00 C ATOM 0 H LEU A 21 0.085 -1.402 9.599 1.00 0.00 H new ATOM 0 HA LEU A 21 0.057 1.445 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.774 1.588 10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.255 0.934 11.218 1.00 0.00 H new ATOM 0 HG LEU A 21 2.236 -1.081 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.543 -0.941 12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.723 0.524 11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.674 0.547 12.825 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.444 -2.236 12.329 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.487 -0.801 12.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.093 -1.716 11.294 1.00 0.00 H new ATOM 320 N ILE A 22 1.623 0.801 6.949 1.00 0.00 N ATOM 321 CA ILE A 22 2.678 0.727 5.951 1.00 0.00 C ATOM 322 C ILE A 22 3.354 2.080 5.750 1.00 0.00 C ATOM 323 O ILE A 22 2.765 3.128 6.009 1.00 0.00 O ATOM 324 CB ILE A 22 2.115 0.215 4.607 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.086 0.439 3.464 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.797 0.886 4.282 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.909 1.777 2.778 1.00 0.00 C ATOM 0 H ILE A 22 0.730 1.144 6.594 1.00 0.00 H new ATOM 0 HA ILE A 22 3.427 0.025 6.317 1.00 0.00 H new ATOM 0 HB ILE A 22 1.959 -0.858 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.105 0.366 3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.961 -0.357 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.421 0.508 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.075 0.670 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.945 1.964 4.212 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.635 1.871 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.901 1.846 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.063 2.579 3.500 1.00 0.00 H new ATOM 339 N CYS A 23 4.594 2.041 5.271 1.00 0.00 N ATOM 340 CA CYS A 23 5.358 3.260 5.011 1.00 0.00 C ATOM 341 C CYS A 23 5.638 3.371 3.522 1.00 0.00 C ATOM 342 O CYS A 23 6.660 2.886 3.037 1.00 0.00 O ATOM 343 CB CYS A 23 6.674 3.249 5.789 1.00 0.00 C ATOM 344 SG CYS A 23 7.593 4.823 5.719 1.00 0.00 S ATOM 0 H CYS A 23 5.093 1.178 5.054 1.00 0.00 H new ATOM 0 HA CYS A 23 4.773 4.119 5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.465 3.008 6.831 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.308 2.453 5.399 1.00 0.00 H new ATOM 349 N ALA A 24 4.703 3.966 2.790 1.00 0.00 N ATOM 350 CA ALA A 24 4.837 4.075 1.345 1.00 0.00 C ATOM 351 C ALA A 24 5.525 5.361 0.894 1.00 0.00 C ATOM 352 O ALA A 24 5.248 6.451 1.395 1.00 0.00 O ATOM 353 CB ALA A 24 3.474 3.946 0.682 1.00 0.00 C ATOM 0 H ALA A 24 3.851 4.377 3.171 1.00 0.00 H new ATOM 0 HA ALA A 24 5.483 3.255 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.586 4.029 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.040 2.977 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.818 4.739 1.041 1.00 0.00 H new ATOM 359 N VAL A 25 6.417 5.200 -0.076 1.00 0.00 N ATOM 360 CA VAL A 25 7.169 6.291 -0.660 1.00 0.00 C ATOM 361 C VAL A 25 7.182 6.173 -2.177 1.00 0.00 C ATOM 362 O VAL A 25 7.196 5.063 -2.733 1.00 0.00 O ATOM 363 CB VAL A 25 8.614 6.291 -0.141 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.345 5.029 -0.577 1.00 0.00 C ATOM 365 CG2 VAL A 25 9.356 7.535 -0.602 1.00 0.00 C ATOM 0 H VAL A 25 6.638 4.291 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 25 6.685 7.225 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 25 8.582 6.304 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.367 5.051 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.829 4.154 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.363 4.977 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.377 7.512 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.375 7.564 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.848 8.422 -0.224 1.00 0.00 H new ATOM 375 N ILE A 26 7.165 7.319 -2.844 1.00 0.00 N ATOM 376 CA ILE A 26 7.173 7.341 -4.303 1.00 0.00 C ATOM 377 C ILE A 26 7.775 8.629 -4.863 1.00 0.00 C ATOM 378 O ILE A 26 7.071 9.612 -5.093 1.00 0.00 O ATOM 379 CB ILE A 26 5.764 7.143 -4.905 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.681 7.719 -3.981 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.520 5.668 -5.197 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.367 6.868 -2.765 1.00 0.00 C ATOM 0 H ILE A 26 7.146 8.239 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 26 7.802 6.500 -4.596 1.00 0.00 H new ATOM 0 HB ILE A 26 5.709 7.690 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.997 8.706 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.766 7.856 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.524 5.541 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.265 5.310 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.596 5.097 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.592 7.353 -2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.017 5.888 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.267 6.751 -2.161 1.00 0.00 H new ATOM 394 N GLY A 27 9.085 8.598 -5.088 1.00 0.00 N ATOM 395 CA GLY A 27 9.798 9.738 -5.640 1.00 0.00 C ATOM 396 C GLY A 27 9.886 10.899 -4.683 1.00 0.00 C ATOM 397 O GLY A 27 10.976 11.347 -4.326 1.00 0.00 O ATOM 0 H GLY A 27 9.675 7.789 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.805 9.428 -5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.299 10.064 -6.553 1.00 0.00 H new ATOM 401 N ASP A 28 8.732 11.385 -4.269 1.00 0.00 N ATOM 402 CA ASP A 28 8.661 12.505 -3.346 1.00 0.00 C ATOM 403 C ASP A 28 7.394 12.430 -2.507 1.00 0.00 C ATOM 404 O ASP A 28 6.923 13.443 -1.990 1.00 0.00 O ATOM 405 CB ASP A 28 8.704 13.827 -4.112 1.00 0.00 C ATOM 406 CG ASP A 28 7.614 13.921 -5.162 1.00 0.00 C ATOM 407 OD1 ASP A 28 6.592 13.218 -5.021 1.00 0.00 O ATOM 408 OD2 ASP A 28 7.783 14.697 -6.126 1.00 0.00 O ATOM 0 H ASP A 28 7.825 11.020 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 28 9.522 12.454 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.601 14.654 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.677 13.935 -4.591 1.00 0.00 H new ATOM 413 N ALA A 29 6.847 11.227 -2.368 1.00 0.00 N ATOM 414 CA ALA A 29 5.638 11.041 -1.582 1.00 0.00 C ATOM 415 C ALA A 29 5.836 9.939 -0.556 1.00 0.00 C ATOM 416 O ALA A 29 5.401 8.808 -0.755 1.00 0.00 O ATOM 417 CB ALA A 29 4.455 10.731 -2.487 1.00 0.00 C ATOM 0 H ALA A 29 7.219 10.374 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 29 5.425 11.968 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.559 10.595 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.302 11.557 -3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.656 9.818 -3.048 1.00 0.00 H new ATOM 423 N LYS A 30 6.503 10.277 0.542 1.00 0.00 N ATOM 424 CA LYS A 30 6.763 9.310 1.599 1.00 0.00 C ATOM 425 C LYS A 30 5.841 9.549 2.790 1.00 0.00 C ATOM 426 O LYS A 30 6.010 10.515 3.534 1.00 0.00 O ATOM 427 CB LYS A 30 8.226 9.381 2.058 1.00 0.00 C ATOM 428 CG LYS A 30 8.857 10.759 1.921 1.00 0.00 C ATOM 429 CD LYS A 30 9.289 11.036 0.490 1.00 0.00 C ATOM 430 CE LYS A 30 10.768 10.749 0.284 1.00 0.00 C ATOM 431 NZ LYS A 30 11.473 11.895 -0.353 1.00 0.00 N ATOM 0 H LYS A 30 6.872 11.211 0.722 1.00 0.00 H new ATOM 0 HA LYS A 30 6.568 8.317 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.283 9.070 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.812 8.667 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.145 11.520 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.720 10.832 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.701 10.423 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.082 12.077 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.232 10.526 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.882 9.861 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.247 11.538 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.803 12.432 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.862 12.516 0.385 1.00 0.00 H new ATOM 445 N GLU A 31 4.867 8.664 2.968 1.00 0.00 N ATOM 446 CA GLU A 31 3.921 8.785 4.073 1.00 0.00 C ATOM 447 C GLU A 31 3.310 7.430 4.411 1.00 0.00 C ATOM 448 O GLU A 31 3.455 6.468 3.657 1.00 0.00 O ATOM 449 CB GLU A 31 2.816 9.784 3.723 1.00 0.00 C ATOM 450 CG GLU A 31 2.443 10.706 4.874 1.00 0.00 C ATOM 451 CD GLU A 31 3.606 11.564 5.334 1.00 0.00 C ATOM 452 OE1 GLU A 31 4.320 12.110 4.467 1.00 0.00 O ATOM 453 OE2 GLU A 31 3.799 11.692 6.561 1.00 0.00 O ATOM 0 H GLU A 31 4.711 7.857 2.364 1.00 0.00 H new ATOM 0 HA GLU A 31 4.463 9.149 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.139 10.388 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.929 9.236 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.620 11.351 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.083 10.108 5.712 1.00 0.00 H new ATOM 460 N GLU A 32 2.627 7.361 5.548 1.00 0.00 N ATOM 461 CA GLU A 32 1.995 6.121 5.981 1.00 0.00 C ATOM 462 C GLU A 32 0.745 5.836 5.166 1.00 0.00 C ATOM 463 O GLU A 32 0.202 6.721 4.505 1.00 0.00 O ATOM 464 CB GLU A 32 1.633 6.187 7.465 1.00 0.00 C ATOM 465 CG GLU A 32 2.167 5.018 8.276 1.00 0.00 C ATOM 466 CD GLU A 32 3.682 4.980 8.320 1.00 0.00 C ATOM 467 OE1 GLU A 32 4.317 5.339 7.307 1.00 0.00 O ATOM 468 OE2 GLU A 32 4.234 4.593 9.371 1.00 0.00 O ATOM 0 H GLU A 32 2.497 8.147 6.185 1.00 0.00 H new ATOM 0 HA GLU A 32 2.710 5.314 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.021 7.116 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.548 6.221 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.780 5.079 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.796 4.086 7.850 1.00 0.00 H new ATOM 475 N HIS A 33 0.288 4.594 5.228 1.00 0.00 N ATOM 476 CA HIS A 33 -0.909 4.188 4.506 1.00 0.00 C ATOM 477 C HIS A 33 -1.635 3.070 5.247 1.00 0.00 C ATOM 478 O HIS A 33 -1.019 2.121 5.726 1.00 0.00 O ATOM 479 CB HIS A 33 -0.551 3.742 3.087 1.00 0.00 C ATOM 480 CG HIS A 33 -0.936 4.738 2.037 1.00 0.00 C ATOM 481 ND1 HIS A 33 -0.179 5.585 1.297 1.00 0.00 N flip ATOM 482 CD2 HIS A 33 -2.241 4.952 1.643 1.00 0.00 C flip ATOM 483 CE1 HIS A 33 -1.033 6.285 0.481 1.00 0.00 C flip ATOM 484 NE2 HIS A 33 -2.270 5.885 0.708 1.00 0.00 N flip ATOM 0 H HIS A 33 0.727 3.850 5.770 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.577 5.047 4.443 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.523 3.562 3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.045 2.793 2.876 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.104 4.437 2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.740 7.041 -0.232 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.106 6.236 0.241 1.00 0.00 H new ATOM 493 N ARG A 34 -2.949 3.195 5.343 1.00 0.00 N ATOM 494 CA ARG A 34 -3.762 2.196 6.026 1.00 0.00 C ATOM 495 C ARG A 34 -4.052 1.012 5.112 1.00 0.00 C ATOM 496 O ARG A 34 -3.448 -0.052 5.247 1.00 0.00 O ATOM 497 CB ARG A 34 -5.077 2.811 6.487 1.00 0.00 C ATOM 498 CG ARG A 34 -5.027 3.403 7.887 1.00 0.00 C ATOM 499 CD ARG A 34 -3.862 4.369 8.051 1.00 0.00 C ATOM 500 NE ARG A 34 -2.753 3.767 8.787 1.00 0.00 N ATOM 501 CZ ARG A 34 -1.758 4.463 9.331 1.00 0.00 C ATOM 502 NH1 ARG A 34 -1.725 5.786 9.221 1.00 0.00 N ATOM 503 NH2 ARG A 34 -0.792 3.836 9.988 1.00 0.00 N ATOM 0 H ARG A 34 -3.477 3.978 4.957 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.201 1.843 6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.367 3.592 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.854 2.048 6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.962 3.923 8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.939 2.600 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.514 4.688 7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.202 5.262 8.575 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.741 2.752 8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.465 6.274 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.959 6.314 9.640 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.812 2.820 10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.029 4.370 10.405 1.00 0.00 H new ATOM 517 N ASN A 35 -4.983 1.206 4.181 1.00 0.00 N ATOM 518 CA ASN A 35 -5.353 0.153 3.247 1.00 0.00 C ATOM 519 C ASN A 35 -4.326 0.059 2.129 1.00 0.00 C ATOM 520 O ASN A 35 -4.594 0.383 0.967 1.00 0.00 O ATOM 521 CB ASN A 35 -6.750 0.402 2.680 1.00 0.00 C ATOM 522 CG ASN A 35 -7.822 -0.315 3.478 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.194 0.119 4.568 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.319 -1.423 2.942 1.00 0.00 N ATOM 0 H ASN A 35 -5.492 2.081 4.056 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.371 -0.797 3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.955 1.473 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.785 0.068 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.038 -1.951 3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.982 -1.747 2.036 1.00 0.00 H new ATOM 531 N MET A 36 -3.139 -0.394 2.506 1.00 0.00 N ATOM 532 CA MET A 36 -2.032 -0.551 1.582 1.00 0.00 C ATOM 533 C MET A 36 -2.480 -1.240 0.297 1.00 0.00 C ATOM 534 O MET A 36 -1.914 -1.007 -0.771 1.00 0.00 O ATOM 535 CB MET A 36 -0.928 -1.351 2.269 1.00 0.00 C ATOM 536 CG MET A 36 0.200 -1.784 1.343 1.00 0.00 C ATOM 537 SD MET A 36 0.377 -3.577 1.251 1.00 0.00 S ATOM 538 CE MET A 36 -1.271 -4.057 0.739 1.00 0.00 C ATOM 0 H MET A 36 -2.919 -0.663 3.465 1.00 0.00 H new ATOM 0 HA MET A 36 -1.653 0.433 1.305 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.509 -0.751 3.077 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.368 -2.237 2.726 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.016 -1.390 0.344 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.137 -1.348 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.310 -5.138 0.604 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.990 -3.760 1.503 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.517 -3.565 -0.202 1.00 0.00 H new ATOM 548 N CYS A 37 -3.503 -2.081 0.403 1.00 0.00 N ATOM 549 CA CYS A 37 -4.018 -2.786 -0.761 1.00 0.00 C ATOM 550 C CYS A 37 -4.546 -1.792 -1.791 1.00 0.00 C ATOM 551 O CYS A 37 -4.235 -1.893 -2.976 1.00 0.00 O ATOM 552 CB CYS A 37 -5.106 -3.788 -0.359 1.00 0.00 C ATOM 553 SG CYS A 37 -6.677 -3.037 0.179 1.00 0.00 S ATOM 0 H CYS A 37 -3.987 -2.289 1.276 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.200 -3.348 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.305 -4.445 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.724 -4.414 0.448 1.00 0.00 H new ATOM 558 N ALA A 38 -5.314 -0.811 -1.323 1.00 0.00 N ATOM 559 CA ALA A 38 -5.851 0.222 -2.203 1.00 0.00 C ATOM 560 C ALA A 38 -4.711 0.980 -2.863 1.00 0.00 C ATOM 561 O ALA A 38 -4.837 1.470 -3.985 1.00 0.00 O ATOM 562 CB ALA A 38 -6.759 1.166 -1.425 1.00 0.00 C ATOM 0 H ALA A 38 -5.577 -0.710 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.450 -0.249 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.151 1.930 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.587 0.602 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.190 1.642 -0.626 1.00 0.00 H new ATOM 568 N LEU A 39 -3.592 1.053 -2.157 1.00 0.00 N ATOM 569 CA LEU A 39 -2.404 1.728 -2.663 1.00 0.00 C ATOM 570 C LEU A 39 -1.771 0.922 -3.785 1.00 0.00 C ATOM 571 O LEU A 39 -1.389 1.464 -4.818 1.00 0.00 O ATOM 572 CB LEU A 39 -1.390 1.888 -1.533 1.00 0.00 C ATOM 573 CG LEU A 39 -0.982 3.321 -1.170 1.00 0.00 C ATOM 574 CD1 LEU A 39 0.411 3.321 -0.564 1.00 0.00 C ATOM 575 CD2 LEU A 39 -1.029 4.241 -2.385 1.00 0.00 C ATOM 0 H LEU A 39 -3.481 0.651 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.696 2.706 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.798 1.414 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.490 1.336 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.696 3.702 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.696 4.341 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.416 2.706 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.121 2.916 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.734 5.248 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.345 3.871 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.042 4.263 -2.786 1.00 0.00 H new ATOM 587 N CYS A 40 -1.654 -0.376 -3.557 1.00 0.00 N ATOM 588 CA CYS A 40 -1.056 -1.277 -4.528 1.00 0.00 C ATOM 589 C CYS A 40 -1.832 -1.258 -5.833 1.00 0.00 C ATOM 590 O CYS A 40 -1.262 -1.418 -6.910 1.00 0.00 O ATOM 591 CB CYS A 40 -1.017 -2.697 -3.968 1.00 0.00 C ATOM 592 SG CYS A 40 -0.350 -3.937 -5.123 1.00 0.00 S ATOM 0 H CYS A 40 -1.968 -0.832 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.039 -0.940 -4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.414 -2.701 -3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.027 -2.990 -3.681 1.00 0.00 H new ATOM 597 N CYS A 41 -3.138 -1.069 -5.730 1.00 0.00 N ATOM 598 CA CYS A 41 -3.990 -1.038 -6.904 1.00 0.00 C ATOM 599 C CYS A 41 -4.017 0.353 -7.523 1.00 0.00 C ATOM 600 O CYS A 41 -4.099 0.507 -8.742 1.00 0.00 O ATOM 601 CB CYS A 41 -5.392 -1.490 -6.517 1.00 0.00 C ATOM 602 SG CYS A 41 -6.530 -0.170 -5.987 1.00 0.00 S ATOM 0 H CYS A 41 -3.629 -0.935 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.589 -1.719 -7.655 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.835 -2.006 -7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.309 -2.218 -5.710 1.00 0.00 H new ATOM 607 N GLU A 42 -3.968 1.359 -6.663 1.00 0.00 N ATOM 608 CA GLU A 42 -4.006 2.754 -7.106 1.00 0.00 C ATOM 609 C GLU A 42 -2.610 3.335 -7.360 1.00 0.00 C ATOM 610 O GLU A 42 -2.477 4.525 -7.648 1.00 0.00 O ATOM 611 CB GLU A 42 -4.736 3.616 -6.073 1.00 0.00 C ATOM 612 CG GLU A 42 -5.248 4.935 -6.634 1.00 0.00 C ATOM 613 CD GLU A 42 -4.597 6.140 -5.982 1.00 0.00 C ATOM 614 OE1 GLU A 42 -4.894 6.407 -4.798 1.00 0.00 O ATOM 615 OE2 GLU A 42 -3.791 6.816 -6.654 1.00 0.00 O ATOM 0 H GLU A 42 -3.902 1.240 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.543 2.767 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.577 3.051 -5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.062 3.821 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.064 4.964 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.328 4.990 -6.494 1.00 0.00 H new ATOM 622 N HIS A 43 -1.571 2.510 -7.250 1.00 0.00 N ATOM 623 CA HIS A 43 -0.203 2.984 -7.469 1.00 0.00 C ATOM 624 C HIS A 43 0.126 3.074 -8.959 1.00 0.00 C ATOM 625 O HIS A 43 -0.616 2.568 -9.800 1.00 0.00 O ATOM 626 CB HIS A 43 0.808 2.082 -6.749 1.00 0.00 C ATOM 627 CG HIS A 43 0.885 0.673 -7.258 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.522 0.291 -8.536 1.00 0.00 N ATOM 629 CD2 HIS A 43 1.317 -0.453 -6.644 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.731 -1.005 -8.682 1.00 0.00 C ATOM 631 NE2 HIS A 43 1.214 -1.480 -7.550 1.00 0.00 N ATOM 0 H HIS A 43 -1.646 1.521 -7.013 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.132 3.988 -7.050 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.796 2.535 -6.830 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.556 2.055 -5.689 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.677 -0.530 -5.629 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.539 -1.579 -9.577 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.469 -2.452 -7.376 1.00 0.00 H new ATOM 640 N PRO A 44 1.249 3.731 -9.305 1.00 0.00 N ATOM 641 CA PRO A 44 1.677 3.897 -10.699 1.00 0.00 C ATOM 642 C PRO A 44 2.077 2.575 -11.344 1.00 0.00 C ATOM 643 O PRO A 44 1.416 2.097 -12.265 1.00 0.00 O ATOM 644 CB PRO A 44 2.892 4.834 -10.606 1.00 0.00 C ATOM 645 CG PRO A 44 2.858 5.401 -9.224 1.00 0.00 C ATOM 646 CD PRO A 44 2.186 4.367 -8.369 1.00 0.00 C ATOM 0 HA PRO A 44 0.872 4.289 -11.320 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.820 4.291 -10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.836 5.624 -11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.865 5.611 -8.863 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.309 6.342 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.901 3.651 -7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.669 4.817 -7.522 1.00 0.00 H new ATOM 654 N GLY A 45 3.167 1.991 -10.856 1.00 0.00 N ATOM 655 CA GLY A 45 3.637 0.731 -11.400 1.00 0.00 C ATOM 656 C GLY A 45 4.528 -0.025 -10.435 1.00 0.00 C ATOM 657 O GLY A 45 5.361 -0.832 -10.851 1.00 0.00 O ATOM 0 H GLY A 45 3.732 2.367 -10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.780 0.110 -11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.185 0.920 -12.323 1.00 0.00 H new ATOM 661 N GLY A 46 4.353 0.229 -9.141 1.00 0.00 N ATOM 662 CA GLY A 46 5.155 -0.447 -8.139 1.00 0.00 C ATOM 663 C GLY A 46 5.486 0.437 -6.954 1.00 0.00 C ATOM 664 O GLY A 46 6.647 0.777 -6.730 1.00 0.00 O ATOM 0 H GLY A 46 3.671 0.890 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.621 -1.330 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.081 -0.795 -8.596 1.00 0.00 H new ATOM 668 N PHE A 47 4.465 0.800 -6.187 1.00 0.00 N ATOM 669 CA PHE A 47 4.654 1.641 -5.010 1.00 0.00 C ATOM 670 C PHE A 47 5.652 0.997 -4.056 1.00 0.00 C ATOM 671 O PHE A 47 5.658 -0.222 -3.884 1.00 0.00 O ATOM 672 CB PHE A 47 3.319 1.857 -4.291 1.00 0.00 C ATOM 673 CG PHE A 47 2.862 3.288 -4.274 1.00 0.00 C ATOM 674 CD1 PHE A 47 2.998 4.086 -5.395 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.288 3.830 -3.136 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.569 5.400 -5.384 1.00 0.00 C ATOM 677 CE2 PHE A 47 1.860 5.143 -3.119 1.00 0.00 C ATOM 678 CZ PHE A 47 2.000 5.929 -4.245 1.00 0.00 C ATOM 0 H PHE A 47 3.498 0.526 -6.358 1.00 0.00 H new ATOM 0 HA PHE A 47 5.043 2.606 -5.335 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.555 1.247 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.409 1.502 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.445 3.678 -6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.174 3.219 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.679 6.012 -6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.416 5.555 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.665 6.956 -4.234 1.00 0.00 H new ATOM 688 N GLU A 48 6.490 1.814 -3.428 1.00 0.00 N ATOM 689 CA GLU A 48 7.475 1.294 -2.485 1.00 0.00 C ATOM 690 C GLU A 48 7.016 1.552 -1.075 1.00 0.00 C ATOM 691 O GLU A 48 6.931 2.693 -0.642 1.00 0.00 O ATOM 692 CB GLU A 48 8.826 1.969 -2.697 1.00 0.00 C ATOM 693 CG GLU A 48 9.809 1.773 -1.554 1.00 0.00 C ATOM 694 CD GLU A 48 11.253 1.780 -2.020 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.507 1.372 -3.173 1.00 0.00 O ATOM 696 OE2 GLU A 48 12.130 2.192 -1.231 1.00 0.00 O ATOM 0 H GLU A 48 6.509 2.826 -3.552 1.00 0.00 H new ATOM 0 HA GLU A 48 7.579 0.222 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.272 1.584 -3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.666 3.037 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.665 2.562 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.597 0.828 -1.055 1.00 0.00 H new ATOM 703 N TYR A 49 6.728 0.497 -0.360 1.00 0.00 N ATOM 704 CA TYR A 49 6.284 0.628 1.002 1.00 0.00 C ATOM 705 C TYR A 49 7.018 -0.328 1.904 1.00 0.00 C ATOM 706 O TYR A 49 7.531 -1.357 1.466 1.00 0.00 O ATOM 707 CB TYR A 49 4.810 0.349 1.100 1.00 0.00 C ATOM 708 CG TYR A 49 4.387 -0.804 0.261 1.00 0.00 C ATOM 709 CD1 TYR A 49 4.765 -2.089 0.601 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.640 -0.608 -0.879 1.00 0.00 C ATOM 711 CE1 TYR A 49 4.403 -3.158 -0.174 1.00 0.00 C ATOM 712 CE2 TYR A 49 3.276 -1.664 -1.667 1.00 0.00 C ATOM 713 CZ TYR A 49 3.657 -2.941 -1.316 1.00 0.00 C ATOM 714 OH TYR A 49 3.302 -3.991 -2.118 1.00 0.00 O ATOM 0 H TYR A 49 6.793 -0.463 -0.698 1.00 0.00 H new ATOM 0 HA TYR A 49 6.491 1.650 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.550 0.151 2.140 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.255 1.237 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.355 -2.252 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.338 0.392 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.697 -4.159 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.692 -1.498 -2.561 1.00 0.00 H new ATOM 0 HH TYR A 49 2.807 -3.657 -2.895 1.00 0.00 H new ATOM 724 N SER A 50 7.030 0.005 3.170 1.00 0.00 N ATOM 725 CA SER A 50 7.663 -0.838 4.162 1.00 0.00 C ATOM 726 C SER A 50 6.711 -1.044 5.314 1.00 0.00 C ATOM 727 O SER A 50 6.606 -0.213 6.216 1.00 0.00 O ATOM 728 CB SER A 50 8.973 -0.240 4.640 1.00 0.00 C ATOM 729 OG SER A 50 8.758 0.826 5.547 1.00 0.00 O ATOM 0 H SER A 50 6.608 0.856 3.542 1.00 0.00 H new ATOM 0 HA SER A 50 7.898 -1.802 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.573 -1.013 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.544 0.119 3.784 1.00 0.00 H new ATOM 0 HG SER A 50 8.164 0.528 6.267 1.00 0.00 H new ATOM 735 N ASN A 51 5.992 -2.147 5.252 1.00 0.00 N ATOM 736 CA ASN A 51 5.006 -2.466 6.267 1.00 0.00 C ATOM 737 C ASN A 51 5.590 -2.355 7.665 1.00 0.00 C ATOM 738 O ASN A 51 6.661 -2.888 7.954 1.00 0.00 O ATOM 739 CB ASN A 51 4.435 -3.863 6.069 1.00 0.00 C ATOM 740 CG ASN A 51 3.931 -4.092 4.657 1.00 0.00 C ATOM 741 OD1 ASN A 51 4.672 -3.937 3.688 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.661 -4.467 4.537 1.00 0.00 N ATOM 0 H ASN A 51 6.072 -2.840 4.508 1.00 0.00 H new ATOM 0 HA ASN A 51 4.202 -1.737 6.161 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.202 -4.601 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.618 -4.021 6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.265 -4.638 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.083 -4.583 5.369 1.00 0.00 H new ATOM 749 N GLY A 52 4.865 -1.667 8.528 1.00 0.00 N ATOM 750 CA GLY A 52 5.305 -1.497 9.903 1.00 0.00 C ATOM 751 C GLY A 52 5.475 -0.041 10.299 1.00 0.00 C ATOM 752 O GLY A 52 5.058 0.858 9.569 1.00 0.00 O ATOM 0 H GLY A 52 3.976 -1.220 8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.582 -1.967 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.252 -2.018 10.042 1.00 0.00 H new ATOM 756 N PRO A 53 6.093 0.221 11.467 1.00 0.00 N ATOM 757 CA PRO A 53 6.316 1.586 11.960 1.00 0.00 C ATOM 758 C PRO A 53 7.126 2.428 10.983 1.00 0.00 C ATOM 759 O PRO A 53 7.906 1.899 10.191 1.00 0.00 O ATOM 760 CB PRO A 53 7.092 1.383 13.270 1.00 0.00 C ATOM 761 CG PRO A 53 7.619 -0.010 13.202 1.00 0.00 C ATOM 762 CD PRO A 53 6.622 -0.789 12.396 1.00 0.00 C ATOM 0 HA PRO A 53 5.378 2.125 12.092 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.902 2.106 13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.444 1.517 14.136 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.603 -0.033 12.734 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.731 -0.434 14.200 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.090 -1.619 11.867 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.837 -1.212 13.023 1.00 0.00 H new ATOM 770 N CYS A 54 6.932 3.743 11.040 1.00 0.00 N ATOM 771 CA CYS A 54 7.641 4.661 10.154 1.00 0.00 C ATOM 772 C CYS A 54 7.265 6.108 10.453 1.00 0.00 C ATOM 773 O CYS A 54 8.106 6.908 10.864 1.00 0.00 O ATOM 774 CB CYS A 54 7.315 4.334 8.697 1.00 0.00 C ATOM 775 SG CYS A 54 8.562 4.909 7.501 1.00 0.00 S ATOM 0 H CYS A 54 6.290 4.196 11.690 1.00 0.00 H new ATOM 0 HA CYS A 54 8.711 4.541 10.324 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.203 3.255 8.596 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.353 4.780 8.444 1.00 0.00 H new ATOM 780 N GLU A 55 5.996 6.434 10.239 1.00 0.00 N ATOM 781 CA GLU A 55 5.500 7.783 10.478 1.00 0.00 C ATOM 782 C GLU A 55 5.132 7.975 11.946 1.00 0.00 C ATOM 783 O GLU A 55 5.711 7.269 12.798 1.00 0.00 O ATOM 784 CB GLU A 55 4.285 8.065 9.592 1.00 0.00 C ATOM 785 CG GLU A 55 3.963 9.543 9.456 1.00 0.00 C ATOM 786 CD GLU A 55 2.475 9.806 9.330 1.00 0.00 C ATOM 787 OE1 GLU A 55 1.768 9.724 10.356 1.00 0.00 O ATOM 788 OE2 GLU A 55 2.017 10.095 8.204 1.00 0.00 O ATOM 789 OXT GLU A 55 4.270 8.832 12.231 1.00 0.00 O ATOM 0 H GLU A 55 5.290 5.780 9.899 1.00 0.00 H new ATOM 0 HA GLU A 55 6.294 8.486 10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.464 7.648 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.418 7.549 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.350 10.077 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.474 9.944 8.581 1.00 0.00 H new TER 796 GLU A 55