USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 PHE N :NH3+ -118:sc= 0.0794 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -2.15 K(o=-2.2,f=-1.3!) USER MOD Single : A 4 GLN : amide:sc= -0.304 K(o=-0.3,f=-2!) USER MOD Single : A 5 HIS : no HD1:sc= -0.863 X(o=-0.86,f=-0.4) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= 0 USER MOD Single : A 27 THR OG1 : rot -54:sc= 0.68 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -6.22! C(o=-6.2!,f=-17!) USER MOD Single : A 47 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.7!) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 50 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.987 0.927 -3.625 1.00 0.00 N ATOM 2 CA PHE A 1 9.608 1.446 -3.403 1.00 0.00 C ATOM 3 C PHE A 1 9.597 2.964 -3.594 1.00 0.00 C ATOM 4 O PHE A 1 10.630 3.603 -3.632 1.00 0.00 O ATOM 5 CB PHE A 1 9.158 1.107 -1.980 1.00 0.00 C ATOM 6 CG PHE A 1 7.892 1.863 -1.658 1.00 0.00 C ATOM 7 CD1 PHE A 1 6.667 1.433 -2.182 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.943 2.995 -0.834 1.00 0.00 C ATOM 9 CE1 PHE A 1 5.491 2.134 -1.882 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.769 3.697 -0.534 1.00 0.00 C ATOM 11 CZ PHE A 1 5.543 3.266 -1.058 1.00 0.00 C ATOM 0 H1 PHE A 1 10.985 0.271 -4.432 1.00 0.00 H new ATOM 0 H2 PHE A 1 11.629 1.721 -3.825 1.00 0.00 H new ATOM 0 H3 PHE A 1 11.311 0.426 -2.773 1.00 0.00 H new ATOM 0 HA PHE A 1 8.927 0.985 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 1 8.987 0.034 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 1 9.941 1.368 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.628 0.561 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.888 3.326 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 1 4.546 1.802 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.809 4.570 0.101 1.00 0.00 H new ATOM 0 HZ PHE A 1 4.637 3.807 -0.827 1.00 0.00 H new ATOM 23 N VAL A 2 8.435 3.546 -3.715 1.00 0.00 N ATOM 24 CA VAL A 2 8.356 5.022 -3.902 1.00 0.00 C ATOM 25 C VAL A 2 7.507 5.630 -2.783 1.00 0.00 C ATOM 26 O VAL A 2 6.351 5.299 -2.620 1.00 0.00 O ATOM 27 CB VAL A 2 7.711 5.327 -5.256 1.00 0.00 C ATOM 28 CG1 VAL A 2 6.462 4.461 -5.431 1.00 0.00 C ATOM 29 CG2 VAL A 2 7.317 6.805 -5.315 1.00 0.00 C ATOM 0 H VAL A 2 7.537 3.063 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 2 9.358 5.450 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 2 8.422 5.109 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.001 4.677 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.741 3.408 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.753 4.680 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.858 7.021 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.607 7.024 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.206 7.424 -5.190 1.00 0.00 H new ATOM 39 N ASN A 3 8.073 6.518 -2.011 1.00 0.00 N ATOM 40 CA ASN A 3 7.295 7.145 -0.906 1.00 0.00 C ATOM 41 C ASN A 3 6.627 8.424 -1.414 1.00 0.00 C ATOM 42 O ASN A 3 7.072 9.521 -1.141 1.00 0.00 O ATOM 43 CB ASN A 3 8.233 7.488 0.252 1.00 0.00 C ATOM 44 CG ASN A 3 9.420 8.295 -0.274 1.00 0.00 C ATOM 45 OD1 ASN A 3 9.347 9.503 -0.386 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.519 7.675 -0.604 1.00 0.00 N ATOM 0 H ASN A 3 9.038 6.835 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 3 6.532 6.447 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.698 8.060 1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.585 6.575 0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.317 8.204 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.581 6.661 -0.510 1.00 0.00 H new ATOM 53 N GLN A 4 5.562 8.291 -2.154 1.00 0.00 N ATOM 54 CA GLN A 4 4.861 9.493 -2.685 1.00 0.00 C ATOM 55 C GLN A 4 3.398 9.136 -2.950 1.00 0.00 C ATOM 56 O GLN A 4 2.906 8.129 -2.480 1.00 0.00 O ATOM 57 CB GLN A 4 5.537 9.935 -3.988 1.00 0.00 C ATOM 58 CG GLN A 4 6.679 10.900 -3.669 1.00 0.00 C ATOM 59 CD GLN A 4 6.703 12.021 -4.710 1.00 0.00 C ATOM 60 OE1 GLN A 4 5.674 12.402 -5.232 1.00 0.00 O ATOM 61 NE2 GLN A 4 7.841 12.570 -5.036 1.00 0.00 N ATOM 0 H GLN A 4 5.145 7.397 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 4 4.910 10.308 -1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.920 9.067 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.810 10.418 -4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.548 11.318 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.630 10.368 -3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.705 12.251 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.866 13.318 -5.729 1.00 0.00 H new ATOM 70 N HIS A 5 2.694 9.944 -3.694 1.00 0.00 N ATOM 71 CA HIS A 5 1.266 9.632 -3.981 1.00 0.00 C ATOM 72 C HIS A 5 1.187 8.326 -4.775 1.00 0.00 C ATOM 73 O HIS A 5 1.780 8.194 -5.827 1.00 0.00 O ATOM 74 CB HIS A 5 0.653 10.770 -4.799 1.00 0.00 C ATOM 75 CG HIS A 5 0.818 12.067 -4.056 1.00 0.00 C ATOM 76 ND1 HIS A 5 0.530 13.279 -4.649 1.00 0.00 N ATOM 77 CD2 HIS A 5 1.237 12.326 -2.779 1.00 0.00 C ATOM 78 CE1 HIS A 5 0.778 14.224 -3.730 1.00 0.00 C ATOM 79 NE2 HIS A 5 1.213 13.688 -2.571 1.00 0.00 N ATOM 0 H HIS A 5 3.045 10.805 -4.115 1.00 0.00 H new ATOM 0 HA HIS A 5 0.716 9.523 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.137 10.833 -5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.404 10.574 -4.980 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.537 11.585 -2.053 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.646 15.283 -3.897 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.470 14.186 -1.719 1.00 0.00 H new ATOM 87 N LEU A 6 0.464 7.356 -4.282 1.00 0.00 N ATOM 88 CA LEU A 6 0.358 6.062 -5.016 1.00 0.00 C ATOM 89 C LEU A 6 -1.055 5.905 -5.573 1.00 0.00 C ATOM 90 O LEU A 6 -1.253 5.474 -6.692 1.00 0.00 O ATOM 91 CB LEU A 6 0.668 4.907 -4.058 1.00 0.00 C ATOM 92 CG LEU A 6 2.151 4.521 -4.146 1.00 0.00 C ATOM 93 CD1 LEU A 6 2.376 3.625 -5.363 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.014 5.780 -4.281 1.00 0.00 C ATOM 0 H LEU A 6 -0.056 7.403 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 6 1.072 6.050 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.421 5.197 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.046 4.046 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 6 2.432 3.987 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.429 3.352 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.772 2.723 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.087 4.160 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.065 5.496 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.730 6.320 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.862 6.420 -3.412 1.00 0.00 H new ATOM 106 N CYS A 7 -2.037 6.258 -4.799 1.00 0.00 N ATOM 107 CA CYS A 7 -3.448 6.143 -5.270 1.00 0.00 C ATOM 108 C CYS A 7 -3.769 4.686 -5.617 1.00 0.00 C ATOM 109 O CYS A 7 -2.914 3.946 -6.054 1.00 0.00 O ATOM 110 CB CYS A 7 -3.642 7.013 -6.513 1.00 0.00 C ATOM 111 SG CYS A 7 -4.925 8.251 -6.190 1.00 0.00 S ATOM 0 H CYS A 7 -1.926 6.624 -3.853 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.116 6.478 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.705 7.505 -6.776 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.926 6.393 -7.363 1.00 0.00 H new ATOM 116 N GLY A 8 -5.003 4.286 -5.414 1.00 0.00 N ATOM 117 CA GLY A 8 -5.440 2.882 -5.708 1.00 0.00 C ATOM 118 C GLY A 8 -4.587 2.252 -6.815 1.00 0.00 C ATOM 119 O GLY A 8 -3.973 1.221 -6.621 1.00 0.00 O ATOM 0 H GLY A 8 -5.742 4.887 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.367 2.279 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.488 2.881 -6.008 1.00 0.00 H new ATOM 123 N SER A 9 -4.545 2.853 -7.971 1.00 0.00 N ATOM 124 CA SER A 9 -3.732 2.273 -9.079 1.00 0.00 C ATOM 125 C SER A 9 -2.370 1.841 -8.534 1.00 0.00 C ATOM 126 O SER A 9 -2.124 0.673 -8.310 1.00 0.00 O ATOM 127 CB SER A 9 -3.537 3.317 -10.182 1.00 0.00 C ATOM 128 OG SER A 9 -4.339 2.968 -11.305 1.00 0.00 O ATOM 0 H SER A 9 -5.036 3.718 -8.197 1.00 0.00 H new ATOM 0 HA SER A 9 -4.251 1.409 -9.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.813 4.306 -9.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.487 3.366 -10.471 1.00 0.00 H new ATOM 0 HG SER A 9 -4.218 3.635 -12.013 1.00 0.00 H new ATOM 134 N ASP A 10 -1.485 2.774 -8.315 1.00 0.00 N ATOM 135 CA ASP A 10 -0.144 2.411 -7.781 1.00 0.00 C ATOM 136 C ASP A 10 -0.301 1.807 -6.384 1.00 0.00 C ATOM 137 O ASP A 10 0.508 1.016 -5.943 1.00 0.00 O ATOM 138 CB ASP A 10 0.732 3.663 -7.706 1.00 0.00 C ATOM 139 CG ASP A 10 0.480 4.537 -8.937 1.00 0.00 C ATOM 140 OD1 ASP A 10 0.071 3.994 -9.951 1.00 0.00 O ATOM 141 OD2 ASP A 10 0.699 5.733 -8.844 1.00 0.00 O ATOM 0 H ASP A 10 -1.633 3.769 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 10 0.327 1.682 -8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.508 4.222 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.784 3.381 -7.656 1.00 0.00 H new ATOM 146 N LEU A 11 -1.342 2.169 -5.686 1.00 0.00 N ATOM 147 CA LEU A 11 -1.559 1.612 -4.321 1.00 0.00 C ATOM 148 C LEU A 11 -1.510 0.089 -4.391 1.00 0.00 C ATOM 149 O LEU A 11 -0.646 -0.544 -3.818 1.00 0.00 O ATOM 150 CB LEU A 11 -2.932 2.045 -3.804 1.00 0.00 C ATOM 151 CG LEU A 11 -2.762 2.967 -2.600 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.159 2.179 -1.440 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.827 4.114 -2.974 1.00 0.00 C ATOM 0 H LEU A 11 -2.053 2.828 -6.003 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.784 1.980 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.483 2.558 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.518 1.170 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.732 3.366 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.037 2.836 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.822 1.355 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.187 1.783 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.702 4.776 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.857 3.712 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.253 4.674 -3.806 1.00 0.00 H new ATOM 165 N VAL A 12 -2.436 -0.504 -5.090 1.00 0.00 N ATOM 166 CA VAL A 12 -2.452 -1.987 -5.198 1.00 0.00 C ATOM 167 C VAL A 12 -1.279 -2.448 -6.070 1.00 0.00 C ATOM 168 O VAL A 12 -0.577 -3.382 -5.736 1.00 0.00 O ATOM 169 CB VAL A 12 -3.774 -2.433 -5.818 1.00 0.00 C ATOM 170 CG1 VAL A 12 -4.929 -1.674 -5.171 1.00 0.00 C ATOM 171 CG2 VAL A 12 -3.764 -2.135 -7.308 1.00 0.00 C ATOM 0 H VAL A 12 -3.183 -0.024 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.353 -2.431 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.900 -3.503 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.870 -1.995 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.945 -1.879 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.797 -0.604 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.708 -2.454 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.634 -1.064 -7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.942 -2.673 -7.781 1.00 0.00 H new ATOM 181 N GLU A 13 -1.052 -1.795 -7.179 1.00 0.00 N ATOM 182 CA GLU A 13 0.085 -2.196 -8.056 1.00 0.00 C ATOM 183 C GLU A 13 1.342 -2.317 -7.194 1.00 0.00 C ATOM 184 O GLU A 13 2.206 -3.137 -7.438 1.00 0.00 O ATOM 185 CB GLU A 13 0.300 -1.134 -9.136 1.00 0.00 C ATOM 186 CG GLU A 13 0.210 -1.781 -10.520 1.00 0.00 C ATOM 187 CD GLU A 13 -1.190 -1.566 -11.097 1.00 0.00 C ATOM 188 OE1 GLU A 13 -2.145 -1.707 -10.352 1.00 0.00 O ATOM 189 OE2 GLU A 13 -1.283 -1.265 -12.275 1.00 0.00 O ATOM 0 H GLU A 13 -1.603 -1.004 -7.514 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.131 -3.150 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.450 -0.348 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.274 -0.662 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.958 -1.348 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.425 -2.847 -10.449 1.00 0.00 H new ATOM 196 N ALA A 14 1.432 -1.515 -6.170 1.00 0.00 N ATOM 197 CA ALA A 14 2.606 -1.581 -5.266 1.00 0.00 C ATOM 198 C ALA A 14 2.305 -2.619 -4.195 1.00 0.00 C ATOM 199 O ALA A 14 2.986 -3.613 -4.086 1.00 0.00 O ATOM 200 CB ALA A 14 2.846 -0.215 -4.619 1.00 0.00 C ATOM 0 H ALA A 14 0.735 -0.812 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 14 3.502 -1.855 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.710 -0.273 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.033 0.527 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.967 0.075 -4.044 1.00 0.00 H new ATOM 206 N LEU A 15 1.261 -2.413 -3.425 1.00 0.00 N ATOM 207 CA LEU A 15 0.886 -3.414 -2.389 1.00 0.00 C ATOM 208 C LEU A 15 1.045 -4.799 -3.015 1.00 0.00 C ATOM 209 O LEU A 15 1.382 -5.765 -2.362 1.00 0.00 O ATOM 210 CB LEU A 15 -0.567 -3.193 -1.957 1.00 0.00 C ATOM 211 CG LEU A 15 -0.603 -2.224 -0.773 1.00 0.00 C ATOM 212 CD1 LEU A 15 -0.823 -0.795 -1.276 1.00 0.00 C ATOM 213 CD2 LEU A 15 -1.744 -2.607 0.169 1.00 0.00 C ATOM 0 H LEU A 15 0.656 -1.593 -3.474 1.00 0.00 H new ATOM 0 HA LEU A 15 1.520 -3.318 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.148 -2.792 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.024 -4.143 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 15 0.347 -2.278 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.848 -0.111 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.009 -0.515 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.769 -0.740 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.768 -1.916 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.691 -2.558 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.588 -3.621 0.536 1.00 0.00 H new ATOM 225 N TYR A 16 0.847 -4.873 -4.308 1.00 0.00 N ATOM 226 CA TYR A 16 1.031 -6.157 -5.026 1.00 0.00 C ATOM 227 C TYR A 16 2.527 -6.475 -4.996 1.00 0.00 C ATOM 228 O TYR A 16 2.949 -7.512 -4.528 1.00 0.00 O ATOM 229 CB TYR A 16 0.533 -5.994 -6.478 1.00 0.00 C ATOM 230 CG TYR A 16 1.470 -6.672 -7.456 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.785 -8.027 -7.296 1.00 0.00 C ATOM 232 CD2 TYR A 16 2.021 -5.945 -8.522 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.651 -8.658 -8.199 1.00 0.00 C ATOM 234 CE2 TYR A 16 2.887 -6.576 -9.425 1.00 0.00 C ATOM 235 CZ TYR A 16 3.202 -7.934 -9.265 1.00 0.00 C ATOM 236 OH TYR A 16 4.053 -8.554 -10.155 1.00 0.00 O ATOM 0 H TYR A 16 0.564 -4.089 -4.895 1.00 0.00 H new ATOM 0 HA TYR A 16 0.468 -6.967 -4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.466 -6.419 -6.573 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.453 -4.935 -6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.360 -8.586 -6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.778 -4.900 -8.646 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.894 -9.703 -8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.312 -6.017 -10.245 1.00 0.00 H new ATOM 0 HH TYR A 16 4.343 -7.909 -10.833 1.00 0.00 H new ATOM 246 N LEU A 17 3.328 -5.563 -5.476 1.00 0.00 N ATOM 247 CA LEU A 17 4.800 -5.783 -5.459 1.00 0.00 C ATOM 248 C LEU A 17 5.284 -5.707 -4.006 1.00 0.00 C ATOM 249 O LEU A 17 6.401 -6.066 -3.689 1.00 0.00 O ATOM 250 CB LEU A 17 5.477 -4.696 -6.307 1.00 0.00 C ATOM 251 CG LEU A 17 6.949 -4.538 -5.911 1.00 0.00 C ATOM 252 CD1 LEU A 17 7.741 -5.768 -6.357 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.518 -3.292 -6.591 1.00 0.00 C ATOM 0 H LEU A 17 3.026 -4.676 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 17 5.051 -6.759 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.405 -4.955 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.956 -3.748 -6.175 1.00 0.00 H new ATOM 0 HG LEU A 17 7.026 -4.437 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.787 -5.650 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.333 -6.657 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.669 -5.874 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.565 -3.173 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.439 -3.400 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.956 -2.414 -6.271 1.00 0.00 H new ATOM 265 N VAL A 18 4.444 -5.233 -3.124 1.00 0.00 N ATOM 266 CA VAL A 18 4.830 -5.116 -1.691 1.00 0.00 C ATOM 267 C VAL A 18 4.594 -6.446 -0.975 1.00 0.00 C ATOM 268 O VAL A 18 5.351 -6.844 -0.112 1.00 0.00 O ATOM 269 CB VAL A 18 3.967 -4.040 -1.040 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.447 -3.786 0.382 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.067 -2.750 -1.850 1.00 0.00 C ATOM 0 H VAL A 18 3.498 -4.919 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 18 5.886 -4.854 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 18 2.930 -4.376 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.828 -3.017 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.373 -4.707 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.485 -3.453 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.451 -1.980 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.104 -2.417 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.717 -2.931 -2.866 1.00 0.00 H new ATOM 281 N CYS A 19 3.542 -7.126 -1.321 1.00 0.00 N ATOM 282 CA CYS A 19 3.242 -8.429 -0.659 1.00 0.00 C ATOM 283 C CYS A 19 4.048 -9.539 -1.334 1.00 0.00 C ATOM 284 O CYS A 19 4.907 -10.148 -0.731 1.00 0.00 O ATOM 285 CB CYS A 19 1.745 -8.737 -0.774 1.00 0.00 C ATOM 286 SG CYS A 19 1.305 -10.045 0.399 1.00 0.00 S ATOM 0 H CYS A 19 2.873 -6.838 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 19 3.515 -8.370 0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.162 -7.839 -0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.504 -9.049 -1.790 1.00 0.00 H new ATOM 291 N GLY A 20 3.783 -9.804 -2.583 1.00 0.00 N ATOM 292 CA GLY A 20 4.544 -10.870 -3.288 1.00 0.00 C ATOM 293 C GLY A 20 3.595 -11.697 -4.156 1.00 0.00 C ATOM 294 O GLY A 20 3.538 -11.537 -5.359 1.00 0.00 O ATOM 0 H GLY A 20 3.075 -9.330 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.323 -10.425 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.042 -11.514 -2.563 1.00 0.00 H new ATOM 298 N GLU A 21 2.849 -12.584 -3.555 1.00 0.00 N ATOM 299 CA GLU A 21 1.909 -13.426 -4.348 1.00 0.00 C ATOM 300 C GLU A 21 0.826 -13.996 -3.431 1.00 0.00 C ATOM 301 O GLU A 21 0.312 -15.073 -3.660 1.00 0.00 O ATOM 302 CB GLU A 21 2.679 -14.577 -4.996 1.00 0.00 C ATOM 303 CG GLU A 21 2.519 -14.508 -6.516 1.00 0.00 C ATOM 304 CD GLU A 21 3.893 -14.620 -7.178 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.432 -15.715 -7.198 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.385 -13.609 -7.653 1.00 0.00 O ATOM 0 H GLU A 21 2.850 -12.762 -2.551 1.00 0.00 H new ATOM 0 HA GLU A 21 1.444 -12.814 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.734 -14.519 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.308 -15.532 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.870 -15.313 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.042 -13.570 -6.800 1.00 0.00 H new ATOM 313 N ARG A 22 0.468 -13.286 -2.398 1.00 0.00 N ATOM 314 CA ARG A 22 -0.586 -13.793 -1.479 1.00 0.00 C ATOM 315 C ARG A 22 -1.749 -12.802 -1.466 1.00 0.00 C ATOM 316 O ARG A 22 -2.463 -12.678 -0.491 1.00 0.00 O ATOM 317 CB ARG A 22 -0.012 -13.929 -0.065 1.00 0.00 C ATOM 318 CG ARG A 22 -0.150 -15.377 0.407 1.00 0.00 C ATOM 319 CD ARG A 22 0.212 -15.470 1.891 1.00 0.00 C ATOM 320 NE ARG A 22 1.322 -14.523 2.194 1.00 0.00 N ATOM 321 CZ ARG A 22 2.560 -14.940 2.173 1.00 0.00 C ATOM 322 NH1 ARG A 22 3.019 -15.563 1.123 1.00 0.00 N ATOM 323 NH2 ARG A 22 3.336 -14.735 3.203 1.00 0.00 N ATOM 0 H ARG A 22 0.860 -12.377 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.935 -14.768 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.037 -13.632 -0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.538 -13.262 0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.170 -15.726 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.503 -16.025 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.658 -15.234 2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.511 -16.488 2.140 1.00 0.00 H new ATOM 0 HE ARG A 22 1.115 -13.550 2.418 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.412 -15.724 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.985 -15.889 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.976 -14.249 4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.302 -15.061 3.186 1.00 0.00 H new ATOM 337 N GLY A 23 -1.936 -12.085 -2.541 1.00 0.00 N ATOM 338 CA GLY A 23 -3.043 -11.092 -2.587 1.00 0.00 C ATOM 339 C GLY A 23 -2.805 -10.046 -1.499 1.00 0.00 C ATOM 340 O GLY A 23 -2.339 -10.358 -0.423 1.00 0.00 O ATOM 0 H GLY A 23 -1.370 -12.145 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.084 -10.616 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.002 -11.587 -2.433 1.00 0.00 H new ATOM 344 N PHE A 24 -3.106 -8.805 -1.763 1.00 0.00 N ATOM 345 CA PHE A 24 -2.874 -7.763 -0.726 1.00 0.00 C ATOM 346 C PHE A 24 -4.207 -7.200 -0.243 1.00 0.00 C ATOM 347 O PHE A 24 -5.181 -7.177 -0.967 1.00 0.00 O ATOM 348 CB PHE A 24 -2.035 -6.629 -1.314 1.00 0.00 C ATOM 349 CG PHE A 24 -2.568 -6.302 -2.687 1.00 0.00 C ATOM 350 CD1 PHE A 24 -3.652 -5.426 -2.823 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.996 -6.892 -3.822 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.160 -5.137 -4.093 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.509 -6.606 -5.092 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.590 -5.728 -5.229 1.00 0.00 C ATOM 0 H PHE A 24 -3.499 -8.470 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.346 -8.214 0.114 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.081 -5.750 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.988 -6.925 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.095 -4.974 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.160 -7.567 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.993 -4.457 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.071 -7.063 -5.967 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.985 -5.506 -6.209 1.00 0.00 H new ATOM 364 N PHE A 25 -4.255 -6.735 0.974 1.00 0.00 N ATOM 365 CA PHE A 25 -5.532 -6.165 1.494 1.00 0.00 C ATOM 366 C PHE A 25 -5.701 -4.746 0.910 1.00 0.00 C ATOM 367 O PHE A 25 -5.859 -4.592 -0.284 1.00 0.00 O ATOM 368 CB PHE A 25 -5.474 -6.145 3.030 1.00 0.00 C ATOM 369 CG PHE A 25 -6.870 -6.152 3.623 1.00 0.00 C ATOM 370 CD1 PHE A 25 -8.003 -6.064 2.799 1.00 0.00 C ATOM 371 CD2 PHE A 25 -7.024 -6.259 5.012 1.00 0.00 C ATOM 372 CE1 PHE A 25 -9.286 -6.082 3.368 1.00 0.00 C ATOM 373 CE2 PHE A 25 -8.305 -6.276 5.578 1.00 0.00 C ATOM 374 CZ PHE A 25 -9.436 -6.187 4.757 1.00 0.00 C ATOM 0 H PHE A 25 -3.472 -6.724 1.628 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.390 -6.767 1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.918 -7.011 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.936 -5.259 3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.888 -5.983 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.153 -6.328 5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.158 -6.015 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.421 -6.358 6.649 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.423 -6.199 5.194 1.00 0.00 H new ATOM 384 N TYR A 26 -5.660 -3.712 1.714 1.00 0.00 N ATOM 385 CA TYR A 26 -5.800 -2.328 1.161 1.00 0.00 C ATOM 386 C TYR A 26 -7.257 -2.074 0.732 1.00 0.00 C ATOM 387 O TYR A 26 -7.563 -1.082 0.101 1.00 0.00 O ATOM 388 CB TYR A 26 -4.808 -2.153 -0.022 1.00 0.00 C ATOM 389 CG TYR A 26 -5.468 -1.527 -1.237 1.00 0.00 C ATOM 390 CD1 TYR A 26 -6.329 -2.284 -2.044 1.00 0.00 C ATOM 391 CD2 TYR A 26 -5.220 -0.181 -1.551 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.941 -1.696 -3.160 1.00 0.00 C ATOM 393 CE2 TYR A 26 -5.833 0.404 -2.664 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.694 -0.353 -3.468 1.00 0.00 C ATOM 395 OH TYR A 26 -7.299 0.224 -4.566 1.00 0.00 O ATOM 0 H TYR A 26 -5.536 -3.765 2.725 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.556 -1.590 1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.972 -1.530 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.396 -3.124 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.521 -3.320 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.555 0.403 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.603 -2.279 -3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.642 1.440 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.221 1.199 -4.508 1.00 0.00 H new ATOM 405 N THR A 27 -8.162 -2.948 1.079 1.00 0.00 N ATOM 406 CA THR A 27 -9.581 -2.722 0.685 1.00 0.00 C ATOM 407 C THR A 27 -10.505 -2.923 1.890 1.00 0.00 C ATOM 408 O THR A 27 -11.132 -3.954 2.037 1.00 0.00 O ATOM 409 CB THR A 27 -9.971 -3.702 -0.426 1.00 0.00 C ATOM 410 OG1 THR A 27 -8.820 -4.033 -1.192 1.00 0.00 O ATOM 411 CG2 THR A 27 -11.020 -3.051 -1.329 1.00 0.00 C ATOM 0 H THR A 27 -7.983 -3.799 1.612 1.00 0.00 H new ATOM 0 HA THR A 27 -9.686 -1.699 0.324 1.00 0.00 H new ATOM 0 HB THR A 27 -10.384 -4.610 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.392 -3.211 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.300 -3.746 -2.121 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.901 -2.799 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.607 -2.144 -1.771 1.00 0.00 H new ATOM 419 N ASP A 28 -10.606 -1.943 2.748 1.00 0.00 N ATOM 420 CA ASP A 28 -11.502 -2.083 3.932 1.00 0.00 C ATOM 421 C ASP A 28 -11.219 -0.966 4.939 1.00 0.00 C ATOM 422 O ASP A 28 -11.104 -1.204 6.126 1.00 0.00 O ATOM 423 CB ASP A 28 -11.270 -3.440 4.597 1.00 0.00 C ATOM 424 CG ASP A 28 -12.513 -4.313 4.415 1.00 0.00 C ATOM 425 OD1 ASP A 28 -13.176 -4.162 3.402 1.00 0.00 O ATOM 426 OD2 ASP A 28 -12.782 -5.117 5.293 1.00 0.00 O ATOM 0 H ASP A 28 -10.109 -1.055 2.681 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.538 -2.012 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.401 -3.929 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.058 -3.306 5.658 1.00 0.00 H new ATOM 431 N LYS A 29 -11.112 0.252 4.482 1.00 0.00 N ATOM 432 CA LYS A 29 -10.844 1.375 5.424 1.00 0.00 C ATOM 433 C LYS A 29 -10.491 2.642 4.639 1.00 0.00 C ATOM 434 O LYS A 29 -10.398 2.629 3.428 1.00 0.00 O ATOM 435 CB LYS A 29 -9.678 1.003 6.339 1.00 0.00 C ATOM 436 CG LYS A 29 -10.210 0.681 7.737 1.00 0.00 C ATOM 437 CD LYS A 29 -9.841 1.816 8.693 1.00 0.00 C ATOM 438 CE LYS A 29 -8.331 1.803 8.936 1.00 0.00 C ATOM 439 NZ LYS A 29 -8.041 2.352 10.291 1.00 0.00 N ATOM 0 H LYS A 29 -11.198 0.517 3.501 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.736 1.561 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.144 0.143 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.965 1.826 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.292 0.554 7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.788 -0.260 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.145 2.774 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.374 1.699 9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.947 0.786 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.824 2.397 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.014 2.343 10.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.393 3.329 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.513 1.768 11.011 1.00 0.00 H new ATOM 453 N GLY A 30 -10.292 3.737 5.324 1.00 0.00 N ATOM 454 CA GLY A 30 -9.944 5.005 4.624 1.00 0.00 C ATOM 455 C GLY A 30 -8.801 4.738 3.650 1.00 0.00 C ATOM 456 O GLY A 30 -8.625 5.441 2.674 1.00 0.00 O ATOM 0 H GLY A 30 -10.356 3.807 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.812 5.390 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.652 5.766 5.347 1.00 0.00 H new ATOM 460 N ILE A 31 -8.029 3.720 3.909 1.00 0.00 N ATOM 461 CA ILE A 31 -6.896 3.385 3.003 1.00 0.00 C ATOM 462 C ILE A 31 -7.365 3.531 1.551 1.00 0.00 C ATOM 463 O ILE A 31 -8.534 3.399 1.269 1.00 0.00 O ATOM 464 CB ILE A 31 -6.451 1.943 3.287 1.00 0.00 C ATOM 465 CG1 ILE A 31 -5.551 1.931 4.525 1.00 0.00 C ATOM 466 CG2 ILE A 31 -5.677 1.375 2.095 1.00 0.00 C ATOM 467 CD1 ILE A 31 -6.260 1.198 5.665 1.00 0.00 C ATOM 0 H ILE A 31 -8.135 3.102 4.714 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.053 4.056 3.170 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.334 1.328 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.605 1.440 4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.315 2.952 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.370 0.352 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.315 1.380 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.794 1.987 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.619 1.190 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.194 1.708 5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.473 0.173 5.362 1.00 0.00 H new ATOM 479 N VAL A 32 -6.458 3.831 0.648 1.00 0.00 N ATOM 480 CA VAL A 32 -6.799 4.025 -0.804 1.00 0.00 C ATOM 481 C VAL A 32 -7.204 5.480 -1.033 1.00 0.00 C ATOM 482 O VAL A 32 -7.022 6.022 -2.104 1.00 0.00 O ATOM 483 CB VAL A 32 -7.918 3.071 -1.275 1.00 0.00 C ATOM 484 CG1 VAL A 32 -7.814 1.749 -0.519 1.00 0.00 C ATOM 485 CG2 VAL A 32 -9.305 3.695 -1.052 1.00 0.00 C ATOM 0 H VAL A 32 -5.468 3.953 0.862 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.915 3.787 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.794 2.893 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.604 1.076 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.843 1.293 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.920 1.932 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.075 3.002 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.445 3.900 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.380 4.626 -1.615 1.00 0.00 H new ATOM 495 N GLU A 33 -7.732 6.124 -0.031 1.00 0.00 N ATOM 496 CA GLU A 33 -8.120 7.546 -0.194 1.00 0.00 C ATOM 497 C GLU A 33 -7.116 8.413 0.561 1.00 0.00 C ATOM 498 O GLU A 33 -6.996 9.598 0.325 1.00 0.00 O ATOM 499 CB GLU A 33 -9.528 7.774 0.364 1.00 0.00 C ATOM 500 CG GLU A 33 -10.558 7.563 -0.748 1.00 0.00 C ATOM 501 CD GLU A 33 -10.525 8.754 -1.708 1.00 0.00 C ATOM 502 OE1 GLU A 33 -9.578 9.519 -1.637 1.00 0.00 O ATOM 503 OE2 GLU A 33 -11.448 8.880 -2.496 1.00 0.00 O ATOM 0 H GLU A 33 -7.910 5.726 0.891 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.120 7.810 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.720 7.086 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.612 8.784 0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.342 6.641 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.554 7.455 -0.319 1.00 0.00 H new ATOM 510 N GLN A 34 -6.382 7.819 1.465 1.00 0.00 N ATOM 511 CA GLN A 34 -5.371 8.595 2.231 1.00 0.00 C ATOM 512 C GLN A 34 -3.974 8.219 1.737 1.00 0.00 C ATOM 513 O GLN A 34 -3.020 8.946 1.929 1.00 0.00 O ATOM 514 CB GLN A 34 -5.493 8.273 3.722 1.00 0.00 C ATOM 515 CG GLN A 34 -6.250 9.399 4.430 1.00 0.00 C ATOM 516 CD GLN A 34 -6.679 8.928 5.820 1.00 0.00 C ATOM 517 OE1 GLN A 34 -7.551 8.091 5.948 1.00 0.00 O ATOM 518 NE2 GLN A 34 -6.101 9.431 6.877 1.00 0.00 N ATOM 0 H GLN A 34 -6.441 6.829 1.704 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.539 9.662 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.017 7.327 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.502 8.155 4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.616 10.282 4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.124 9.688 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.369 10.134 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.381 9.121 7.808 1.00 0.00 H new ATOM 527 N CYS A 35 -3.848 7.086 1.097 1.00 0.00 N ATOM 528 CA CYS A 35 -2.511 6.667 0.588 1.00 0.00 C ATOM 529 C CYS A 35 -2.262 7.308 -0.783 1.00 0.00 C ATOM 530 O CYS A 35 -1.265 7.051 -1.432 1.00 0.00 O ATOM 531 CB CYS A 35 -2.469 5.142 0.465 1.00 0.00 C ATOM 532 SG CYS A 35 -0.868 4.634 -0.208 1.00 0.00 S ATOM 0 H CYS A 35 -4.610 6.436 0.906 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.736 6.993 1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.627 4.683 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.274 4.797 -0.184 1.00 0.00 H new ATOM 537 N CYS A 36 -3.156 8.150 -1.224 1.00 0.00 N ATOM 538 CA CYS A 36 -2.967 8.816 -2.544 1.00 0.00 C ATOM 539 C CYS A 36 -2.460 10.242 -2.318 1.00 0.00 C ATOM 540 O CYS A 36 -1.376 10.601 -2.736 1.00 0.00 O ATOM 541 CB CYS A 36 -4.301 8.862 -3.294 1.00 0.00 C ATOM 542 SG CYS A 36 -4.042 9.569 -4.940 1.00 0.00 S ATOM 0 H CYS A 36 -4.009 8.406 -0.727 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.242 8.256 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.718 7.858 -3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.023 9.461 -2.738 1.00 0.00 H new ATOM 547 N THR A 37 -3.234 11.057 -1.653 1.00 0.00 N ATOM 548 CA THR A 37 -2.795 12.457 -1.392 1.00 0.00 C ATOM 549 C THR A 37 -1.668 12.448 -0.358 1.00 0.00 C ATOM 550 O THR A 37 -0.866 13.359 -0.289 1.00 0.00 O ATOM 551 CB THR A 37 -3.976 13.269 -0.851 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.491 14.451 -0.228 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.750 12.432 0.168 1.00 0.00 C ATOM 0 H THR A 37 -4.151 10.813 -1.279 1.00 0.00 H new ATOM 0 HA THR A 37 -2.439 12.907 -2.318 1.00 0.00 H new ATOM 0 HB THR A 37 -4.639 13.538 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.246 14.972 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.590 13.011 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.123 11.527 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.090 12.160 0.992 1.00 0.00 H new ATOM 561 N SER A 38 -1.602 11.424 0.446 1.00 0.00 N ATOM 562 CA SER A 38 -0.528 11.351 1.477 1.00 0.00 C ATOM 563 C SER A 38 0.594 10.436 0.983 1.00 0.00 C ATOM 564 O SER A 38 0.552 9.927 -0.120 1.00 0.00 O ATOM 565 CB SER A 38 -1.108 10.787 2.773 1.00 0.00 C ATOM 566 OG SER A 38 -0.414 11.344 3.880 1.00 0.00 O ATOM 0 H SER A 38 -2.246 10.633 0.434 1.00 0.00 H new ATOM 0 HA SER A 38 -0.129 12.349 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.171 11.020 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.019 9.701 2.782 1.00 0.00 H new ATOM 0 HG SER A 38 -0.785 10.985 4.713 1.00 0.00 H new ATOM 572 N ILE A 39 1.597 10.221 1.790 1.00 0.00 N ATOM 573 CA ILE A 39 2.718 9.336 1.363 1.00 0.00 C ATOM 574 C ILE A 39 2.639 8.006 2.119 1.00 0.00 C ATOM 575 O ILE A 39 2.853 7.946 3.313 1.00 0.00 O ATOM 576 CB ILE A 39 4.055 10.013 1.672 1.00 0.00 C ATOM 577 CG1 ILE A 39 3.969 11.500 1.318 1.00 0.00 C ATOM 578 CG2 ILE A 39 5.161 9.359 0.844 1.00 0.00 C ATOM 579 CD1 ILE A 39 3.534 11.656 -0.141 1.00 0.00 C ATOM 0 H ILE A 39 1.689 10.619 2.725 1.00 0.00 H new ATOM 0 HA ILE A 39 2.641 9.153 0.291 1.00 0.00 H new ATOM 0 HB ILE A 39 4.280 9.903 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.258 12.000 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.937 11.978 1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.114 9.841 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.224 8.300 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.935 9.469 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.473 12.715 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.262 11.171 -0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.557 11.194 -0.281 1.00 0.00 H new ATOM 591 N CYS A 40 2.336 6.941 1.432 1.00 0.00 N ATOM 592 CA CYS A 40 2.244 5.616 2.107 1.00 0.00 C ATOM 593 C CYS A 40 3.597 5.268 2.739 1.00 0.00 C ATOM 594 O CYS A 40 4.410 6.132 3.001 1.00 0.00 O ATOM 595 CB CYS A 40 1.862 4.554 1.072 1.00 0.00 C ATOM 596 SG CYS A 40 0.175 3.983 1.394 1.00 0.00 S ATOM 0 H CYS A 40 2.148 6.930 0.430 1.00 0.00 H new ATOM 0 HA CYS A 40 1.486 5.650 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.932 4.968 0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.557 3.716 1.121 1.00 0.00 H new ATOM 601 N SER A 41 3.845 4.009 2.985 1.00 0.00 N ATOM 602 CA SER A 41 5.132 3.600 3.593 1.00 0.00 C ATOM 603 C SER A 41 5.358 2.127 3.276 1.00 0.00 C ATOM 604 O SER A 41 4.806 1.264 3.916 1.00 0.00 O ATOM 605 CB SER A 41 5.075 3.795 5.109 1.00 0.00 C ATOM 606 OG SER A 41 6.391 4.015 5.602 1.00 0.00 O ATOM 0 H SER A 41 3.201 3.244 2.787 1.00 0.00 H new ATOM 0 HA SER A 41 5.946 4.205 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.435 4.643 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.638 2.917 5.584 1.00 0.00 H new ATOM 0 HG SER A 41 6.359 4.142 6.573 1.00 0.00 H new ATOM 612 N LEU A 42 6.147 1.858 2.271 1.00 0.00 N ATOM 613 CA LEU A 42 6.437 0.446 1.848 1.00 0.00 C ATOM 614 C LEU A 42 6.233 -0.528 3.014 1.00 0.00 C ATOM 615 O LEU A 42 5.648 -1.581 2.856 1.00 0.00 O ATOM 616 CB LEU A 42 7.891 0.359 1.364 1.00 0.00 C ATOM 617 CG LEU A 42 8.232 -1.078 0.942 1.00 0.00 C ATOM 618 CD1 LEU A 42 8.477 -1.941 2.184 1.00 0.00 C ATOM 619 CD2 LEU A 42 7.073 -1.665 0.134 1.00 0.00 C ATOM 0 H LEU A 42 6.615 2.569 1.710 1.00 0.00 H new ATOM 0 HA LEU A 42 5.752 0.172 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.042 1.037 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.565 0.681 2.158 1.00 0.00 H new ATOM 0 HG LEU A 42 9.133 -1.065 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.718 -2.959 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.307 -1.528 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.580 -1.951 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.317 -2.685 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.170 -1.672 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.905 -1.057 -0.755 1.00 0.00 H new ATOM 631 N TYR A 43 6.706 -0.188 4.183 1.00 0.00 N ATOM 632 CA TYR A 43 6.529 -1.101 5.348 1.00 0.00 C ATOM 633 C TYR A 43 5.033 -1.290 5.617 1.00 0.00 C ATOM 634 O TYR A 43 4.548 -2.398 5.728 1.00 0.00 O ATOM 635 CB TYR A 43 7.200 -0.499 6.583 1.00 0.00 C ATOM 636 CG TYR A 43 8.684 -0.357 6.337 1.00 0.00 C ATOM 637 CD1 TYR A 43 9.461 -1.492 6.073 1.00 0.00 C ATOM 638 CD2 TYR A 43 9.284 0.909 6.376 1.00 0.00 C ATOM 639 CE1 TYR A 43 10.838 -1.361 5.846 1.00 0.00 C ATOM 640 CE2 TYR A 43 10.660 1.041 6.150 1.00 0.00 C ATOM 641 CZ TYR A 43 11.437 -0.094 5.884 1.00 0.00 C ATOM 642 OH TYR A 43 12.792 0.036 5.661 1.00 0.00 O ATOM 0 H TYR A 43 7.205 0.679 4.381 1.00 0.00 H new ATOM 0 HA TYR A 43 6.987 -2.065 5.128 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.764 0.474 6.808 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.024 -1.135 7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.999 -2.468 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.685 1.784 6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.437 -2.236 5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.122 2.017 6.181 1.00 0.00 H new ATOM 0 HH TYR A 43 13.044 0.981 5.722 1.00 0.00 H new ATOM 652 N GLN A 44 4.296 -0.215 5.712 1.00 0.00 N ATOM 653 CA GLN A 44 2.832 -0.332 5.960 1.00 0.00 C ATOM 654 C GLN A 44 2.188 -1.107 4.803 1.00 0.00 C ATOM 655 O GLN A 44 1.384 -1.994 5.005 1.00 0.00 O ATOM 656 CB GLN A 44 2.219 1.075 6.066 1.00 0.00 C ATOM 657 CG GLN A 44 1.874 1.615 4.672 1.00 0.00 C ATOM 658 CD GLN A 44 1.235 3.000 4.801 1.00 0.00 C ATOM 659 OE1 GLN A 44 1.483 3.873 3.993 1.00 0.00 O ATOM 660 NE2 GLN A 44 0.417 3.240 5.789 1.00 0.00 N ATOM 0 H GLN A 44 4.646 0.739 5.628 1.00 0.00 H new ATOM 0 HA GLN A 44 2.652 -0.866 6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.321 1.042 6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.920 1.748 6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.775 1.675 4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.190 0.934 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.208 2.508 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.014 4.160 5.883 1.00 0.00 H new ATOM 669 N LEU A 45 2.544 -0.775 3.591 1.00 0.00 N ATOM 670 CA LEU A 45 1.961 -1.493 2.420 1.00 0.00 C ATOM 671 C LEU A 45 2.161 -2.995 2.608 1.00 0.00 C ATOM 672 O LEU A 45 1.333 -3.799 2.226 1.00 0.00 O ATOM 673 CB LEU A 45 2.665 -1.035 1.139 1.00 0.00 C ATOM 674 CG LEU A 45 2.550 0.485 1.018 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.045 0.931 -0.359 1.00 0.00 C ATOM 676 CD2 LEU A 45 1.086 0.897 1.192 1.00 0.00 C ATOM 0 H LEU A 45 3.212 -0.039 3.361 1.00 0.00 H new ATOM 0 HA LEU A 45 0.896 -1.272 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.714 -1.332 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.215 -1.516 0.271 1.00 0.00 H new ATOM 0 HG LEU A 45 3.158 0.958 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.962 2.015 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.087 0.636 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.439 0.460 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.000 1.980 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.480 0.423 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.734 0.582 2.174 1.00 0.00 H new ATOM 688 N GLU A 46 3.254 -3.381 3.205 1.00 0.00 N ATOM 689 CA GLU A 46 3.507 -4.829 3.433 1.00 0.00 C ATOM 690 C GLU A 46 2.641 -5.312 4.599 1.00 0.00 C ATOM 691 O GLU A 46 2.673 -6.468 4.973 1.00 0.00 O ATOM 692 CB GLU A 46 4.983 -5.038 3.779 1.00 0.00 C ATOM 693 CG GLU A 46 5.600 -6.044 2.809 1.00 0.00 C ATOM 694 CD GLU A 46 6.049 -7.286 3.580 1.00 0.00 C ATOM 695 OE1 GLU A 46 5.191 -8.063 3.964 1.00 0.00 O ATOM 696 OE2 GLU A 46 7.244 -7.437 3.775 1.00 0.00 O ATOM 0 H GLU A 46 3.983 -2.754 3.545 1.00 0.00 H new ATOM 0 HA GLU A 46 3.260 -5.391 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.518 -4.090 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.079 -5.399 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.874 -6.320 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.450 -5.595 2.295 1.00 0.00 H new ATOM 703 N ASN A 47 1.872 -4.430 5.183 1.00 0.00 N ATOM 704 CA ASN A 47 1.014 -4.831 6.330 1.00 0.00 C ATOM 705 C ASN A 47 -0.390 -5.192 5.836 1.00 0.00 C ATOM 706 O ASN A 47 -1.239 -5.590 6.609 1.00 0.00 O ATOM 707 CB ASN A 47 0.921 -3.670 7.322 1.00 0.00 C ATOM 708 CG ASN A 47 1.341 -4.150 8.712 1.00 0.00 C ATOM 709 OD1 ASN A 47 1.371 -5.335 8.977 1.00 0.00 O ATOM 710 ND2 ASN A 47 1.670 -3.270 9.619 1.00 0.00 N ATOM 0 H ASN A 47 1.803 -3.449 4.913 1.00 0.00 H new ATOM 0 HA ASN A 47 1.454 -5.701 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.563 -2.850 7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.098 -3.284 7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.952 -3.578 10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.645 -2.275 9.397 1.00 0.00 H new ATOM 717 N TYR A 48 -0.648 -5.072 4.559 1.00 0.00 N ATOM 718 CA TYR A 48 -1.998 -5.428 4.047 1.00 0.00 C ATOM 719 C TYR A 48 -1.975 -6.884 3.607 1.00 0.00 C ATOM 720 O TYR A 48 -2.544 -7.749 4.243 1.00 0.00 O ATOM 721 CB TYR A 48 -2.351 -4.530 2.860 1.00 0.00 C ATOM 722 CG TYR A 48 -2.381 -3.088 3.314 1.00 0.00 C ATOM 723 CD1 TYR A 48 -3.539 -2.562 3.902 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.250 -2.277 3.147 1.00 0.00 C ATOM 725 CE1 TYR A 48 -3.565 -1.225 4.325 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.277 -0.941 3.569 1.00 0.00 C ATOM 727 CZ TYR A 48 -2.435 -0.415 4.158 1.00 0.00 C ATOM 728 OH TYR A 48 -2.460 0.900 4.576 1.00 0.00 O ATOM 0 H TYR A 48 0.015 -4.745 3.856 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.747 -5.287 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.618 -4.657 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.320 -4.814 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.411 -3.186 4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.358 -2.682 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.457 -0.820 4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.405 -0.316 3.440 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.595 1.320 4.387 1.00 0.00 H new ATOM 738 N CYS A 49 -1.300 -7.160 2.535 1.00 0.00 N ATOM 739 CA CYS A 49 -1.208 -8.563 2.049 1.00 0.00 C ATOM 740 C CYS A 49 -2.578 -9.237 2.146 1.00 0.00 C ATOM 741 O CYS A 49 -3.586 -8.596 2.363 1.00 0.00 O ATOM 742 CB CYS A 49 -0.219 -9.318 2.919 1.00 0.00 C ATOM 743 SG CYS A 49 1.444 -9.165 2.214 1.00 0.00 S ATOM 0 H CYS A 49 -0.804 -6.472 1.968 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.878 -8.569 1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.234 -8.921 3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.503 -10.368 2.984 1.00 0.00 H new ATOM 748 N ASN A 50 -2.624 -10.529 1.982 1.00 0.00 N ATOM 749 CA ASN A 50 -3.930 -11.242 2.063 1.00 0.00 C ATOM 750 C ASN A 50 -4.932 -10.574 1.120 1.00 0.00 C ATOM 751 O ASN A 50 -5.715 -9.767 1.594 1.00 0.00 O ATOM 752 CB ASN A 50 -4.460 -11.178 3.499 1.00 0.00 C ATOM 753 CG ASN A 50 -5.622 -12.160 3.665 1.00 0.00 C ATOM 754 OD1 ASN A 50 -6.742 -11.758 3.913 1.00 0.00 O ATOM 755 ND2 ASN A 50 -5.404 -13.441 3.539 1.00 0.00 N ATOM 756 OXT ASN A 50 -4.900 -10.878 -0.061 1.00 0.00 O ATOM 0 H ASN A 50 -1.815 -11.122 1.796 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.794 -12.284 1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.663 -11.421 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.791 -10.166 3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.173 -14.102 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.465 -13.780 3.331 1.00 0.00 H new TER 763 ASN A 50