USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 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+ -174:sc= 0.397 (180deg=0.347) USER MOD Single : A 3 ASN : amide:sc= -0.397 K(o=-0.4,f=-6.8!) USER MOD Single : A 4 GLN :FLIP amide:sc= 0.38 F(o=-0.88,f=0.38) USER MOD Single : A 5 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-6.8!) 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 172:sc= -4.69! USER MOD Single : A 27 THR OG1 : rot 68:sc= 1.15 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00637 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0695 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.448 K(o=-0.45,f=-3!) USER MOD Single : A 47 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.46) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc=-0.00812 K(o=-0.0081,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 9.951 1.930 -1.677 1.00 0.00 N ATOM 2 CA PHE A 1 9.918 1.688 -3.147 1.00 0.00 C ATOM 3 C PHE A 1 8.857 2.588 -3.788 1.00 0.00 C ATOM 4 O PHE A 1 8.195 2.206 -4.732 1.00 0.00 O ATOM 5 CB PHE A 1 9.575 0.221 -3.415 1.00 0.00 C ATOM 6 CG PHE A 1 8.122 -0.028 -3.087 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.721 -0.180 -1.753 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.174 -0.105 -4.116 1.00 0.00 C ATOM 9 CE1 PHE A 1 6.373 -0.409 -1.447 1.00 0.00 C ATOM 10 CE2 PHE A 1 5.826 -0.334 -3.811 1.00 0.00 C ATOM 11 CZ PHE A 1 5.425 -0.486 -2.478 1.00 0.00 C ATOM 0 H1 PHE A 1 10.738 1.396 -1.255 1.00 0.00 H new ATOM 0 H2 PHE A 1 10.084 2.945 -1.495 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.054 1.617 -1.253 1.00 0.00 H new ATOM 0 HA PHE A 1 10.894 1.916 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.770 -0.023 -4.459 1.00 0.00 H new ATOM 0 HB3 PHE A 1 10.211 -0.428 -2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 1 8.452 -0.121 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 1 7.483 0.012 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 1 6.064 -0.526 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.096 -0.393 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 1 4.386 -0.663 -2.244 1.00 0.00 H new ATOM 23 N VAL A 2 8.689 3.778 -3.279 1.00 0.00 N ATOM 24 CA VAL A 2 7.671 4.699 -3.857 1.00 0.00 C ATOM 25 C VAL A 2 8.335 6.025 -4.236 1.00 0.00 C ATOM 26 O VAL A 2 9.533 6.099 -4.422 1.00 0.00 O ATOM 27 CB VAL A 2 6.575 4.957 -2.823 1.00 0.00 C ATOM 28 CG1 VAL A 2 5.981 3.624 -2.364 1.00 0.00 C ATOM 29 CG2 VAL A 2 7.174 5.690 -1.621 1.00 0.00 C ATOM 0 H VAL A 2 9.213 4.152 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 2 7.235 4.245 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 2 5.790 5.568 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.200 3.808 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.556 3.101 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.764 3.011 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.394 5.875 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.958 5.078 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.597 6.640 -1.948 1.00 0.00 H new ATOM 39 N ASN A 3 7.564 7.071 -4.352 1.00 0.00 N ATOM 40 CA ASN A 3 8.146 8.394 -4.720 1.00 0.00 C ATOM 41 C ASN A 3 7.058 9.466 -4.642 1.00 0.00 C ATOM 42 O ASN A 3 7.281 10.557 -4.155 1.00 0.00 O ATOM 43 CB ASN A 3 8.704 8.338 -6.147 1.00 0.00 C ATOM 44 CG ASN A 3 7.949 7.284 -6.961 1.00 0.00 C ATOM 45 OD1 ASN A 3 6.736 7.295 -7.014 1.00 0.00 O ATOM 46 ND2 ASN A 3 8.623 6.369 -7.601 1.00 0.00 N ATOM 0 H ASN A 3 6.554 7.067 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 3 8.952 8.637 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.609 9.314 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.767 8.098 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.131 5.662 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.642 6.361 -7.556 1.00 0.00 H new ATOM 53 N GLN A 4 5.880 9.163 -5.115 1.00 0.00 N ATOM 54 CA GLN A 4 4.777 10.162 -5.067 1.00 0.00 C ATOM 55 C GLN A 4 3.538 9.520 -4.438 1.00 0.00 C ATOM 56 O GLN A 4 3.634 8.567 -3.690 1.00 0.00 O ATOM 57 CB GLN A 4 4.446 10.629 -6.486 1.00 0.00 C ATOM 58 CG GLN A 4 5.726 11.096 -7.184 1.00 0.00 C ATOM 59 CD GLN A 4 6.147 12.457 -6.625 1.00 0.00 C ATOM 60 OE1 GLN A 4 5.736 13.546 -7.215 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 6.860 12.529 -5.643 1.00 0.00 N flip ATOM 0 H GLN A 4 5.634 8.266 -5.533 1.00 0.00 H new ATOM 0 HA GLN A 4 5.088 11.018 -4.469 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.988 9.816 -7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.721 11.442 -6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.522 10.367 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.561 11.168 -8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.181 11.677 -5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.137 13.441 -5.280 1.00 0.00 H new ATOM 70 N HIS A 5 2.374 10.030 -4.736 1.00 0.00 N ATOM 71 CA HIS A 5 1.134 9.445 -4.154 1.00 0.00 C ATOM 72 C HIS A 5 0.947 8.022 -4.682 1.00 0.00 C ATOM 73 O HIS A 5 1.599 7.607 -5.619 1.00 0.00 O ATOM 74 CB HIS A 5 -0.070 10.304 -4.549 1.00 0.00 C ATOM 75 CG HIS A 5 -0.044 11.585 -3.762 1.00 0.00 C ATOM 76 ND1 HIS A 5 -0.576 12.752 -4.266 1.00 0.00 N ATOM 77 CD2 HIS A 5 0.452 11.862 -2.518 1.00 0.00 C ATOM 78 CE1 HIS A 5 -0.390 13.694 -3.329 1.00 0.00 C ATOM 79 NE2 HIS A 5 0.235 13.196 -2.242 1.00 0.00 N ATOM 0 H HIS A 5 2.229 10.826 -5.357 1.00 0.00 H new ATOM 0 HA HIS A 5 1.217 9.419 -3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -0.043 10.519 -5.617 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -0.997 9.763 -4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.934 11.154 -1.860 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -0.702 14.723 -3.432 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.493 13.700 -1.394 1.00 0.00 H new ATOM 87 N LEU A 6 0.065 7.267 -4.085 1.00 0.00 N ATOM 88 CA LEU A 6 -0.154 5.871 -4.555 1.00 0.00 C ATOM 89 C LEU A 6 -1.550 5.744 -5.166 1.00 0.00 C ATOM 90 O LEU A 6 -1.713 5.570 -6.361 1.00 0.00 O ATOM 91 CB LEU A 6 -0.036 4.909 -3.372 1.00 0.00 C ATOM 92 CG LEU A 6 1.402 4.400 -3.254 1.00 0.00 C ATOM 93 CD1 LEU A 6 1.850 3.812 -4.593 1.00 0.00 C ATOM 94 CD2 LEU A 6 2.324 5.560 -2.872 1.00 0.00 C ATOM 0 H LEU A 6 -0.511 7.556 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 6 0.596 5.625 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.329 5.414 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.718 4.069 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 6 1.451 3.628 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.875 3.450 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.194 2.985 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.801 4.582 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.349 5.198 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.274 6.332 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.007 5.977 -1.916 1.00 0.00 H new ATOM 106 N CYS A 7 -2.552 5.831 -4.338 1.00 0.00 N ATOM 107 CA CYS A 7 -3.964 5.727 -4.818 1.00 0.00 C ATOM 108 C CYS A 7 -4.176 4.433 -5.613 1.00 0.00 C ATOM 109 O CYS A 7 -3.541 4.206 -6.621 1.00 0.00 O ATOM 110 CB CYS A 7 -4.289 6.932 -5.701 1.00 0.00 C ATOM 111 SG CYS A 7 -5.592 7.913 -4.915 1.00 0.00 S ATOM 0 H CYS A 7 -2.454 5.972 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.627 5.711 -3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.397 7.541 -5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.613 6.599 -6.687 1.00 0.00 H new ATOM 116 N GLY A 8 -5.088 3.602 -5.150 1.00 0.00 N ATOM 117 CA GLY A 8 -5.414 2.303 -5.834 1.00 0.00 C ATOM 118 C GLY A 8 -4.345 1.921 -6.860 1.00 0.00 C ATOM 119 O GLY A 8 -3.270 1.486 -6.504 1.00 0.00 O ATOM 0 H GLY A 8 -5.633 3.776 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.503 1.512 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.381 2.385 -6.329 1.00 0.00 H new ATOM 123 N SER A 9 -4.657 2.082 -8.127 1.00 0.00 N ATOM 124 CA SER A 9 -3.703 1.742 -9.235 1.00 0.00 C ATOM 125 C SER A 9 -2.264 1.651 -8.724 1.00 0.00 C ATOM 126 O SER A 9 -1.583 0.671 -8.948 1.00 0.00 O ATOM 127 CB SER A 9 -3.784 2.821 -10.314 1.00 0.00 C ATOM 128 OG SER A 9 -3.280 2.298 -11.537 1.00 0.00 O ATOM 0 H SER A 9 -5.556 2.444 -8.446 1.00 0.00 H new ATOM 0 HA SER A 9 -3.984 0.771 -9.642 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.816 3.147 -10.442 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.208 3.696 -10.014 1.00 0.00 H new ATOM 0 HG SER A 9 -3.331 2.986 -12.233 1.00 0.00 H new ATOM 134 N ASP A 10 -1.791 2.654 -8.034 1.00 0.00 N ATOM 135 CA ASP A 10 -0.398 2.589 -7.517 1.00 0.00 C ATOM 136 C ASP A 10 -0.387 1.808 -6.201 1.00 0.00 C ATOM 137 O ASP A 10 0.385 0.888 -6.020 1.00 0.00 O ATOM 138 CB ASP A 10 0.123 4.001 -7.277 1.00 0.00 C ATOM 139 CG ASP A 10 1.626 4.042 -7.551 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.200 2.985 -7.758 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.178 5.130 -7.553 1.00 0.00 O ATOM 0 H ASP A 10 -2.304 3.506 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 10 0.241 2.089 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.395 4.707 -7.926 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.079 4.305 -6.250 1.00 0.00 H new ATOM 146 N LEU A 11 -1.244 2.164 -5.282 1.00 0.00 N ATOM 147 CA LEU A 11 -1.289 1.439 -3.980 1.00 0.00 C ATOM 148 C LEU A 11 -1.634 -0.030 -4.233 1.00 0.00 C ATOM 149 O LEU A 11 -1.450 -0.880 -3.384 1.00 0.00 O ATOM 150 CB LEU A 11 -2.367 2.060 -3.089 1.00 0.00 C ATOM 151 CG LEU A 11 -1.723 2.684 -1.849 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.509 3.934 -1.447 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.750 1.680 -0.696 1.00 0.00 C ATOM 0 H LEU A 11 -1.915 2.926 -5.377 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.319 1.512 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.917 2.819 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.088 1.298 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.691 2.952 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.054 4.382 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.494 4.652 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.540 3.659 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.291 2.126 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.782 1.412 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.196 0.785 -0.980 1.00 0.00 H new ATOM 165 N VAL A 12 -2.141 -0.328 -5.396 1.00 0.00 N ATOM 166 CA VAL A 12 -2.513 -1.733 -5.716 1.00 0.00 C ATOM 167 C VAL A 12 -1.346 -2.423 -6.428 1.00 0.00 C ATOM 168 O VAL A 12 -0.830 -3.420 -5.963 1.00 0.00 O ATOM 169 CB VAL A 12 -3.755 -1.720 -6.612 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.927 -3.078 -7.288 1.00 0.00 C ATOM 171 CG2 VAL A 12 -4.986 -1.423 -5.756 1.00 0.00 C ATOM 0 H VAL A 12 -2.314 0.345 -6.142 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.733 -2.283 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.638 -0.953 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.813 -3.059 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.049 -3.295 -7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.042 -3.851 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.874 -1.412 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.093 -2.194 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.870 -0.451 -5.277 1.00 0.00 H new ATOM 181 N GLU A 13 -0.916 -1.902 -7.546 1.00 0.00 N ATOM 182 CA GLU A 13 0.227 -2.537 -8.263 1.00 0.00 C ATOM 183 C GLU A 13 1.411 -2.648 -7.302 1.00 0.00 C ATOM 184 O GLU A 13 2.318 -3.433 -7.498 1.00 0.00 O ATOM 185 CB GLU A 13 0.618 -1.685 -9.475 1.00 0.00 C ATOM 186 CG GLU A 13 1.254 -0.372 -9.006 1.00 0.00 C ATOM 187 CD GLU A 13 2.108 0.210 -10.134 1.00 0.00 C ATOM 188 OE1 GLU A 13 2.930 -0.520 -10.664 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.928 1.374 -10.447 1.00 0.00 O ATOM 0 H GLU A 13 -1.304 -1.070 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.060 -3.529 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.318 -2.233 -10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.262 -1.476 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.479 0.338 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.869 -0.548 -8.123 1.00 0.00 H new ATOM 196 N ALA A 14 1.397 -1.870 -6.254 1.00 0.00 N ATOM 197 CA ALA A 14 2.501 -1.928 -5.264 1.00 0.00 C ATOM 198 C ALA A 14 2.169 -3.014 -4.248 1.00 0.00 C ATOM 199 O ALA A 14 2.812 -4.036 -4.212 1.00 0.00 O ATOM 200 CB ALA A 14 2.639 -0.577 -4.558 1.00 0.00 C ATOM 0 H ALA A 14 0.663 -1.194 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 14 3.444 -2.154 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.451 -0.627 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.856 0.197 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.708 -0.338 -4.044 1.00 0.00 H new ATOM 206 N LEU A 15 1.152 -2.808 -3.442 1.00 0.00 N ATOM 207 CA LEU A 15 0.753 -3.846 -2.442 1.00 0.00 C ATOM 208 C LEU A 15 0.940 -5.221 -3.071 1.00 0.00 C ATOM 209 O LEU A 15 1.298 -6.180 -2.417 1.00 0.00 O ATOM 210 CB LEU A 15 -0.719 -3.658 -2.070 1.00 0.00 C ATOM 211 CG LEU A 15 -0.863 -2.451 -1.145 1.00 0.00 C ATOM 212 CD1 LEU A 15 -2.305 -1.939 -1.197 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.521 -2.867 0.287 1.00 0.00 C ATOM 0 H LEU A 15 0.581 -1.963 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 15 1.366 -3.754 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.316 -3.513 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.097 -4.554 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.185 -1.661 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.409 -1.078 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.551 -1.646 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.983 -2.728 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.623 -2.008 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.201 -3.656 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.505 -3.234 0.324 1.00 0.00 H new ATOM 225 N TYR A 16 0.731 -5.305 -4.355 1.00 0.00 N ATOM 226 CA TYR A 16 0.929 -6.593 -5.058 1.00 0.00 C ATOM 227 C TYR A 16 2.438 -6.864 -5.090 1.00 0.00 C ATOM 228 O TYR A 16 2.914 -7.865 -4.589 1.00 0.00 O ATOM 229 CB TYR A 16 0.332 -6.483 -6.481 1.00 0.00 C ATOM 230 CG TYR A 16 1.347 -6.853 -7.545 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.919 -8.131 -7.554 1.00 0.00 C ATOM 232 CD2 TYR A 16 1.710 -5.916 -8.521 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.855 -8.473 -8.540 1.00 0.00 C ATOM 234 CE2 TYR A 16 2.644 -6.257 -9.507 1.00 0.00 C ATOM 235 CZ TYR A 16 3.218 -7.536 -9.517 1.00 0.00 C ATOM 236 OH TYR A 16 4.140 -7.872 -10.487 1.00 0.00 O ATOM 0 H TYR A 16 0.430 -4.530 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 16 0.427 -7.419 -4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.536 -7.137 -6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.019 -5.465 -6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.639 -8.853 -6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.269 -4.930 -8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.296 -9.459 -8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.922 -5.535 -10.260 1.00 0.00 H new ATOM 0 HH TYR A 16 4.277 -7.109 -11.086 1.00 0.00 H new ATOM 246 N LEU A 17 3.193 -5.956 -5.651 1.00 0.00 N ATOM 247 CA LEU A 17 4.673 -6.141 -5.694 1.00 0.00 C ATOM 248 C LEU A 17 5.230 -6.019 -4.273 1.00 0.00 C ATOM 249 O LEU A 17 6.358 -6.377 -4.000 1.00 0.00 O ATOM 250 CB LEU A 17 5.296 -5.059 -6.581 1.00 0.00 C ATOM 251 CG LEU A 17 6.546 -5.614 -7.266 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.133 -6.566 -8.388 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.357 -4.458 -7.854 1.00 0.00 C ATOM 0 H LEU A 17 2.850 -5.097 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 17 4.912 -7.123 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.575 -4.728 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.555 -4.187 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 17 7.152 -6.153 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.024 -6.961 -8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.552 -7.389 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.528 -6.028 -9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.249 -4.851 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.750 -3.922 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.651 -3.777 -7.056 1.00 0.00 H new ATOM 265 N VAL A 18 4.438 -5.509 -3.371 1.00 0.00 N ATOM 266 CA VAL A 18 4.888 -5.346 -1.964 1.00 0.00 C ATOM 267 C VAL A 18 5.088 -6.715 -1.332 1.00 0.00 C ATOM 268 O VAL A 18 6.085 -6.984 -0.692 1.00 0.00 O ATOM 269 CB VAL A 18 3.806 -4.590 -1.193 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.084 -4.664 0.306 1.00 0.00 C ATOM 271 CG2 VAL A 18 3.804 -3.133 -1.639 1.00 0.00 C ATOM 0 H VAL A 18 3.485 -5.195 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 18 5.828 -4.795 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 18 2.835 -5.042 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.308 -4.123 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.088 -5.707 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.055 -4.216 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.035 -2.587 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.778 -2.689 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.598 -3.080 -2.708 1.00 0.00 H new ATOM 281 N CYS A 19 4.140 -7.576 -1.512 1.00 0.00 N ATOM 282 CA CYS A 19 4.258 -8.943 -0.922 1.00 0.00 C ATOM 283 C CYS A 19 4.769 -9.923 -1.982 1.00 0.00 C ATOM 284 O CYS A 19 5.788 -10.560 -1.802 1.00 0.00 O ATOM 285 CB CYS A 19 2.901 -9.416 -0.380 1.00 0.00 C ATOM 286 SG CYS A 19 1.564 -8.935 -1.503 1.00 0.00 S ATOM 0 H CYS A 19 3.285 -7.401 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 19 4.967 -8.906 -0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.909 -10.499 -0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.727 -8.986 0.606 1.00 0.00 H new ATOM 291 N GLY A 20 4.086 -10.050 -3.088 1.00 0.00 N ATOM 292 CA GLY A 20 4.561 -10.989 -4.143 1.00 0.00 C ATOM 293 C GLY A 20 3.434 -11.944 -4.546 1.00 0.00 C ATOM 294 O GLY A 20 3.511 -13.137 -4.333 1.00 0.00 O ATOM 0 H GLY A 20 3.225 -9.547 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.901 -10.428 -5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.416 -11.557 -3.776 1.00 0.00 H new ATOM 298 N GLU A 21 2.391 -11.427 -5.136 1.00 0.00 N ATOM 299 CA GLU A 21 1.260 -12.302 -5.565 1.00 0.00 C ATOM 300 C GLU A 21 0.696 -13.063 -4.365 1.00 0.00 C ATOM 301 O GLU A 21 0.291 -14.203 -4.482 1.00 0.00 O ATOM 302 CB GLU A 21 1.757 -13.305 -6.608 1.00 0.00 C ATOM 303 CG GLU A 21 2.204 -12.555 -7.865 1.00 0.00 C ATOM 304 CD GLU A 21 3.701 -12.780 -8.100 1.00 0.00 C ATOM 305 OE1 GLU A 21 4.308 -13.484 -7.310 1.00 0.00 O ATOM 306 OE2 GLU A 21 4.214 -12.242 -9.067 1.00 0.00 O ATOM 0 H GLU A 21 2.272 -10.435 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 21 0.476 -11.679 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.586 -13.885 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.964 -14.011 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.635 -12.902 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.000 -11.490 -7.756 1.00 0.00 H new ATOM 313 N ARG A 22 0.653 -12.450 -3.215 1.00 0.00 N ATOM 314 CA ARG A 22 0.103 -13.156 -2.027 1.00 0.00 C ATOM 315 C ARG A 22 -1.231 -12.517 -1.642 1.00 0.00 C ATOM 316 O ARG A 22 -1.702 -12.662 -0.532 1.00 0.00 O ATOM 317 CB ARG A 22 1.085 -13.045 -0.859 1.00 0.00 C ATOM 318 CG ARG A 22 1.658 -14.428 -0.547 1.00 0.00 C ATOM 319 CD ARG A 22 3.034 -14.279 0.104 1.00 0.00 C ATOM 320 NE ARG A 22 3.966 -15.292 -0.468 1.00 0.00 N ATOM 321 CZ ARG A 22 4.943 -15.764 0.256 1.00 0.00 C ATOM 322 NH1 ARG A 22 6.099 -15.160 0.268 1.00 0.00 N ATOM 323 NH2 ARG A 22 4.766 -16.841 0.973 1.00 0.00 N ATOM 0 H ARG A 22 0.973 -11.496 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.048 -14.209 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.889 -12.354 -1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.580 -12.642 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.986 -14.969 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.739 -15.014 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.422 -13.275 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.954 -14.411 1.183 1.00 0.00 H new ATOM 0 HE ARG A 22 3.840 -15.616 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.240 -14.317 -0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.862 -15.530 0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.863 -17.315 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.531 -17.209 1.539 1.00 0.00 H new ATOM 337 N GLY A 23 -1.841 -11.808 -2.554 1.00 0.00 N ATOM 338 CA GLY A 23 -3.145 -11.154 -2.246 1.00 0.00 C ATOM 339 C GLY A 23 -2.967 -10.196 -1.068 1.00 0.00 C ATOM 340 O GLY A 23 -2.622 -10.599 0.025 1.00 0.00 O ATOM 0 H GLY A 23 -1.492 -11.654 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.507 -10.611 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.895 -11.908 -2.006 1.00 0.00 H new ATOM 344 N PHE A 24 -3.196 -8.927 -1.277 1.00 0.00 N ATOM 345 CA PHE A 24 -3.031 -7.959 -0.157 1.00 0.00 C ATOM 346 C PHE A 24 -4.393 -7.651 0.464 1.00 0.00 C ATOM 347 O PHE A 24 -5.396 -8.243 0.115 1.00 0.00 O ATOM 348 CB PHE A 24 -2.403 -6.659 -0.670 1.00 0.00 C ATOM 349 CG PHE A 24 -2.893 -6.367 -2.070 1.00 0.00 C ATOM 350 CD1 PHE A 24 -4.239 -6.042 -2.291 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.999 -6.419 -3.147 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.689 -5.771 -3.591 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.448 -6.149 -4.445 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.793 -5.825 -4.668 1.00 0.00 C ATOM 0 H PHE A 24 -3.488 -8.523 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.377 -8.401 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.661 -5.834 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.316 -6.744 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.928 -6.000 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.962 -6.668 -2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.725 -5.521 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.758 -6.190 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.139 -5.617 -5.670 1.00 0.00 H new ATOM 364 N PHE A 25 -4.436 -6.731 1.388 1.00 0.00 N ATOM 365 CA PHE A 25 -5.733 -6.388 2.038 1.00 0.00 C ATOM 366 C PHE A 25 -6.312 -5.123 1.404 1.00 0.00 C ATOM 367 O PHE A 25 -6.330 -4.069 2.007 1.00 0.00 O ATOM 368 CB PHE A 25 -5.515 -6.151 3.533 1.00 0.00 C ATOM 369 CG PHE A 25 -6.250 -7.210 4.318 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.956 -8.565 4.111 1.00 0.00 C ATOM 371 CD2 PHE A 25 -7.228 -6.838 5.250 1.00 0.00 C ATOM 372 CE1 PHE A 25 -6.640 -9.548 4.840 1.00 0.00 C ATOM 373 CE2 PHE A 25 -7.912 -7.823 5.977 1.00 0.00 C ATOM 374 CZ PHE A 25 -7.618 -9.177 5.773 1.00 0.00 C ATOM 0 H PHE A 25 -3.630 -6.202 1.721 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.430 -7.215 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.451 -6.182 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.874 -5.160 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.204 -8.851 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.455 -5.794 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.413 -10.592 4.683 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.666 -7.537 6.695 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.145 -9.935 6.334 1.00 0.00 H new ATOM 384 N TYR A 26 -6.794 -5.220 0.196 1.00 0.00 N ATOM 385 CA TYR A 26 -7.381 -4.023 -0.471 1.00 0.00 C ATOM 386 C TYR A 26 -8.789 -4.366 -0.954 1.00 0.00 C ATOM 387 O TYR A 26 -9.209 -3.957 -2.018 1.00 0.00 O ATOM 388 CB TYR A 26 -6.514 -3.619 -1.666 1.00 0.00 C ATOM 389 CG TYR A 26 -6.151 -2.157 -1.550 1.00 0.00 C ATOM 390 CD1 TYR A 26 -5.747 -1.634 -0.314 1.00 0.00 C ATOM 391 CD2 TYR A 26 -6.218 -1.326 -2.675 1.00 0.00 C ATOM 392 CE1 TYR A 26 -5.411 -0.278 -0.203 1.00 0.00 C ATOM 393 CE2 TYR A 26 -5.881 0.031 -2.564 1.00 0.00 C ATOM 394 CZ TYR A 26 -5.478 0.554 -1.329 1.00 0.00 C ATOM 395 OH TYR A 26 -5.146 1.889 -1.219 1.00 0.00 O ATOM 0 H TYR A 26 -6.807 -6.076 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.423 -3.193 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.611 -4.228 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.052 -3.799 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.695 -2.276 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.529 -1.730 -3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.101 0.126 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.932 0.673 -3.431 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.121 2.294 -2.111 1.00 0.00 H new ATOM 405 N THR A 27 -9.520 -5.122 -0.179 1.00 0.00 N ATOM 406 CA THR A 27 -10.901 -5.501 -0.593 1.00 0.00 C ATOM 407 C THR A 27 -11.847 -5.377 0.605 1.00 0.00 C ATOM 408 O THR A 27 -12.781 -6.139 0.749 1.00 0.00 O ATOM 409 CB THR A 27 -10.909 -6.950 -1.096 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.231 -7.818 -0.019 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.532 -7.316 -1.655 1.00 0.00 C ATOM 0 H THR A 27 -9.220 -5.493 0.723 1.00 0.00 H new ATOM 0 HA THR A 27 -11.232 -4.836 -1.391 1.00 0.00 H new ATOM 0 HB THR A 27 -11.652 -7.053 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.161 -7.670 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.546 -8.346 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.286 -6.650 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.782 -7.212 -0.871 1.00 0.00 H new ATOM 419 N ASP A 28 -11.613 -4.424 1.466 1.00 0.00 N ATOM 420 CA ASP A 28 -12.505 -4.258 2.650 1.00 0.00 C ATOM 421 C ASP A 28 -11.865 -3.295 3.649 1.00 0.00 C ATOM 422 O ASP A 28 -12.542 -2.650 4.425 1.00 0.00 O ATOM 423 CB ASP A 28 -12.722 -5.617 3.320 1.00 0.00 C ATOM 424 CG ASP A 28 -11.394 -6.374 3.380 1.00 0.00 C ATOM 425 OD1 ASP A 28 -10.410 -5.773 3.778 1.00 0.00 O ATOM 426 OD2 ASP A 28 -11.385 -7.542 3.029 1.00 0.00 O ATOM 0 H ASP A 28 -10.846 -3.755 1.402 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.463 -3.854 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.120 -5.479 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.458 -6.196 2.762 1.00 0.00 H new ATOM 431 N LYS A 29 -10.568 -3.194 3.638 1.00 0.00 N ATOM 432 CA LYS A 29 -9.888 -2.275 4.589 1.00 0.00 C ATOM 433 C LYS A 29 -10.188 -0.828 4.198 1.00 0.00 C ATOM 434 O LYS A 29 -9.793 -0.363 3.147 1.00 0.00 O ATOM 435 CB LYS A 29 -8.377 -2.515 4.542 1.00 0.00 C ATOM 436 CG LYS A 29 -7.927 -3.176 5.846 1.00 0.00 C ATOM 437 CD LYS A 29 -7.651 -2.100 6.899 1.00 0.00 C ATOM 438 CE LYS A 29 -6.761 -2.681 7.998 1.00 0.00 C ATOM 439 NZ LYS A 29 -7.157 -2.107 9.316 1.00 0.00 N ATOM 0 H LYS A 29 -9.949 -3.708 3.012 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.252 -2.462 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.125 -3.151 3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.852 -1.570 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.697 -3.860 6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.029 -3.769 5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.164 -1.241 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.589 -1.744 7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.854 -3.767 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.715 -2.455 7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.551 -2.503 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.046 -1.073 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.150 -2.344 9.514 1.00 0.00 H new ATOM 453 N GLY A 30 -10.884 -0.110 5.037 1.00 0.00 N ATOM 454 CA GLY A 30 -11.209 1.308 4.712 1.00 0.00 C ATOM 455 C GLY A 30 -9.915 2.094 4.504 1.00 0.00 C ATOM 456 O GLY A 30 -9.921 3.189 3.978 1.00 0.00 O ATOM 0 H GLY A 30 -11.241 -0.444 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.823 1.354 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.791 1.753 5.519 1.00 0.00 H new ATOM 460 N ILE A 31 -8.801 1.548 4.911 1.00 0.00 N ATOM 461 CA ILE A 31 -7.515 2.273 4.729 1.00 0.00 C ATOM 462 C ILE A 31 -7.214 2.406 3.233 1.00 0.00 C ATOM 463 O ILE A 31 -7.340 1.464 2.477 1.00 0.00 O ATOM 464 CB ILE A 31 -6.383 1.511 5.437 1.00 0.00 C ATOM 465 CG1 ILE A 31 -5.281 2.498 5.825 1.00 0.00 C ATOM 466 CG2 ILE A 31 -5.797 0.440 4.512 1.00 0.00 C ATOM 467 CD1 ILE A 31 -5.309 2.732 7.335 1.00 0.00 C ATOM 0 H ILE A 31 -8.728 0.635 5.360 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.591 3.269 5.166 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.785 1.026 6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.308 2.108 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.422 3.442 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.997 -0.090 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.578 -0.267 4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.398 0.913 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.523 3.436 7.609 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.278 3.141 7.622 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.146 1.787 7.853 1.00 0.00 H new ATOM 479 N VAL A 32 -6.821 3.571 2.807 1.00 0.00 N ATOM 480 CA VAL A 32 -6.513 3.782 1.366 1.00 0.00 C ATOM 481 C VAL A 32 -6.198 5.259 1.150 1.00 0.00 C ATOM 482 O VAL A 32 -5.238 5.615 0.495 1.00 0.00 O ATOM 483 CB VAL A 32 -7.725 3.392 0.520 1.00 0.00 C ATOM 484 CG1 VAL A 32 -8.924 4.248 0.929 1.00 0.00 C ATOM 485 CG2 VAL A 32 -7.409 3.631 -0.959 1.00 0.00 C ATOM 0 H VAL A 32 -6.699 4.393 3.399 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.661 3.169 1.073 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.958 2.339 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.790 3.972 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.147 4.082 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.691 5.301 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.272 3.354 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.179 4.685 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.551 3.025 -1.250 1.00 0.00 H new ATOM 495 N GLU A 33 -6.999 6.124 1.708 1.00 0.00 N ATOM 496 CA GLU A 33 -6.750 7.581 1.554 1.00 0.00 C ATOM 497 C GLU A 33 -5.546 7.976 2.413 1.00 0.00 C ATOM 498 O GLU A 33 -5.112 9.112 2.407 1.00 0.00 O ATOM 499 CB GLU A 33 -7.986 8.360 2.014 1.00 0.00 C ATOM 500 CG GLU A 33 -7.916 9.792 1.481 1.00 0.00 C ATOM 501 CD GLU A 33 -7.923 9.768 -0.049 1.00 0.00 C ATOM 502 OE1 GLU A 33 -8.613 8.931 -0.606 1.00 0.00 O ATOM 503 OE2 GLU A 33 -7.238 10.588 -0.638 1.00 0.00 O ATOM 0 H GLU A 33 -7.818 5.881 2.266 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.546 7.813 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.891 7.871 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.039 8.368 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.763 10.371 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.013 10.283 1.843 1.00 0.00 H new ATOM 510 N GLN A 34 -5.000 7.047 3.157 1.00 0.00 N ATOM 511 CA GLN A 34 -3.827 7.374 4.014 1.00 0.00 C ATOM 512 C GLN A 34 -2.536 7.111 3.237 1.00 0.00 C ATOM 513 O GLN A 34 -1.452 7.404 3.699 1.00 0.00 O ATOM 514 CB GLN A 34 -3.854 6.500 5.271 1.00 0.00 C ATOM 515 CG GLN A 34 -3.961 7.390 6.512 1.00 0.00 C ATOM 516 CD GLN A 34 -4.463 6.562 7.696 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.614 6.657 8.075 1.00 0.00 O ATOM 518 NE2 GLN A 34 -3.642 5.749 8.305 1.00 0.00 N ATOM 0 H GLN A 34 -5.317 6.079 3.206 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.869 8.425 4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.699 5.812 5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.951 5.892 5.323 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.989 7.824 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.643 8.219 6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.676 5.668 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.967 5.195 9.097 1.00 0.00 H new ATOM 527 N CYS A 35 -2.641 6.561 2.057 1.00 0.00 N ATOM 528 CA CYS A 35 -1.416 6.286 1.255 1.00 0.00 C ATOM 529 C CYS A 35 -1.555 6.924 -0.130 1.00 0.00 C ATOM 530 O CYS A 35 -0.651 6.871 -0.941 1.00 0.00 O ATOM 531 CB CYS A 35 -1.229 4.775 1.107 1.00 0.00 C ATOM 532 SG CYS A 35 0.004 4.203 2.301 1.00 0.00 S ATOM 0 H CYS A 35 -3.520 6.291 1.615 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.549 6.710 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.177 4.262 1.272 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.909 4.535 0.093 1.00 0.00 H new ATOM 537 N CYS A 36 -2.676 7.533 -0.409 1.00 0.00 N ATOM 538 CA CYS A 36 -2.860 8.177 -1.741 1.00 0.00 C ATOM 539 C CYS A 36 -2.447 9.646 -1.647 1.00 0.00 C ATOM 540 O CYS A 36 -2.128 10.277 -2.636 1.00 0.00 O ATOM 541 CB CYS A 36 -4.328 8.084 -2.163 1.00 0.00 C ATOM 542 SG CYS A 36 -4.602 9.116 -3.629 1.00 0.00 S ATOM 0 H CYS A 36 -3.470 7.612 0.226 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.243 7.667 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.590 7.048 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.973 8.412 -1.348 1.00 0.00 H new ATOM 547 N THR A 37 -2.448 10.197 -0.463 1.00 0.00 N ATOM 548 CA THR A 37 -2.052 11.625 -0.303 1.00 0.00 C ATOM 549 C THR A 37 -0.634 11.705 0.266 1.00 0.00 C ATOM 550 O THR A 37 0.007 12.735 0.216 1.00 0.00 O ATOM 551 CB THR A 37 -3.023 12.332 0.650 1.00 0.00 C ATOM 552 OG1 THR A 37 -2.348 13.398 1.301 1.00 0.00 O ATOM 553 CG2 THR A 37 -3.539 11.342 1.697 1.00 0.00 C ATOM 0 H THR A 37 -2.706 9.719 0.400 1.00 0.00 H new ATOM 0 HA THR A 37 -2.083 12.114 -1.277 1.00 0.00 H new ATOM 0 HB THR A 37 -3.866 12.722 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.966 13.853 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.228 11.851 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.057 10.523 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.699 10.946 2.268 1.00 0.00 H new ATOM 561 N SER A 38 -0.137 10.625 0.808 1.00 0.00 N ATOM 562 CA SER A 38 1.239 10.646 1.379 1.00 0.00 C ATOM 563 C SER A 38 2.158 9.772 0.525 1.00 0.00 C ATOM 564 O SER A 38 1.769 9.276 -0.513 1.00 0.00 O ATOM 565 CB SER A 38 1.209 10.106 2.808 1.00 0.00 C ATOM 566 OG SER A 38 1.835 11.042 3.675 1.00 0.00 O ATOM 0 H SER A 38 -0.624 9.732 0.879 1.00 0.00 H new ATOM 0 HA SER A 38 1.612 11.670 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.180 9.933 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.723 9.146 2.858 1.00 0.00 H new ATOM 0 HG SER A 38 1.817 10.700 4.593 1.00 0.00 H new ATOM 572 N ILE A 39 3.376 9.582 0.953 1.00 0.00 N ATOM 573 CA ILE A 39 4.317 8.741 0.161 1.00 0.00 C ATOM 574 C ILE A 39 4.738 7.521 0.983 1.00 0.00 C ATOM 575 O ILE A 39 5.906 7.203 1.081 1.00 0.00 O ATOM 576 CB ILE A 39 5.558 9.562 -0.201 1.00 0.00 C ATOM 577 CG1 ILE A 39 5.164 11.027 -0.416 1.00 0.00 C ATOM 578 CG2 ILE A 39 6.179 9.010 -1.486 1.00 0.00 C ATOM 579 CD1 ILE A 39 3.983 11.103 -1.386 1.00 0.00 C ATOM 0 H ILE A 39 3.759 9.972 1.814 1.00 0.00 H new ATOM 0 HA ILE A 39 3.820 8.409 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 39 6.281 9.497 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.896 11.486 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.010 11.587 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.062 9.594 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.464 7.969 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.453 9.073 -2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.704 12.146 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.267 10.660 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.136 10.557 -0.971 1.00 0.00 H new ATOM 591 N CYS A 40 3.799 6.825 1.566 1.00 0.00 N ATOM 592 CA CYS A 40 4.162 5.619 2.367 1.00 0.00 C ATOM 593 C CYS A 40 4.981 4.678 1.482 1.00 0.00 C ATOM 594 O CYS A 40 5.185 4.946 0.315 1.00 0.00 O ATOM 595 CB CYS A 40 2.893 4.905 2.840 1.00 0.00 C ATOM 596 SG CYS A 40 1.775 4.653 1.440 1.00 0.00 S ATOM 0 H CYS A 40 2.802 7.037 1.523 1.00 0.00 H new ATOM 0 HA CYS A 40 4.743 5.915 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.150 3.946 3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.398 5.496 3.611 1.00 0.00 H new ATOM 601 N SER A 41 5.463 3.583 2.008 1.00 0.00 N ATOM 602 CA SER A 41 6.265 2.674 1.156 1.00 0.00 C ATOM 603 C SER A 41 5.938 1.209 1.487 1.00 0.00 C ATOM 604 O SER A 41 4.834 0.742 1.266 1.00 0.00 O ATOM 605 CB SER A 41 7.752 2.957 1.388 1.00 0.00 C ATOM 606 OG SER A 41 8.005 4.346 1.209 1.00 0.00 O ATOM 0 H SER A 41 5.336 3.287 2.976 1.00 0.00 H new ATOM 0 HA SER A 41 6.023 2.846 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.039 2.651 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.357 2.374 0.693 1.00 0.00 H new ATOM 0 HG SER A 41 8.956 4.527 1.359 1.00 0.00 H new ATOM 612 N LEU A 42 6.883 0.475 2.003 1.00 0.00 N ATOM 613 CA LEU A 42 6.624 -0.957 2.318 1.00 0.00 C ATOM 614 C LEU A 42 6.146 -1.104 3.757 1.00 0.00 C ATOM 615 O LEU A 42 5.163 -1.755 4.020 1.00 0.00 O ATOM 616 CB LEU A 42 7.913 -1.760 2.125 1.00 0.00 C ATOM 617 CG LEU A 42 7.604 -3.043 1.351 1.00 0.00 C ATOM 618 CD1 LEU A 42 8.809 -3.428 0.491 1.00 0.00 C ATOM 619 CD2 LEU A 42 7.306 -4.174 2.336 1.00 0.00 C ATOM 0 H LEU A 42 7.824 0.805 2.220 1.00 0.00 H new ATOM 0 HA LEU A 42 5.850 -1.333 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.648 -1.164 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.351 -2.003 3.093 1.00 0.00 H new ATOM 0 HG LEU A 42 6.738 -2.877 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.586 -4.342 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.025 -2.624 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.676 -3.592 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.086 -5.088 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.173 -4.336 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.447 -3.905 2.950 1.00 0.00 H new ATOM 631 N TYR A 43 6.835 -0.516 4.693 1.00 0.00 N ATOM 632 CA TYR A 43 6.405 -0.647 6.118 1.00 0.00 C ATOM 633 C TYR A 43 4.885 -0.492 6.207 1.00 0.00 C ATOM 634 O TYR A 43 4.188 -1.361 6.692 1.00 0.00 O ATOM 635 CB TYR A 43 7.071 0.434 6.981 1.00 0.00 C ATOM 636 CG TYR A 43 8.448 0.746 6.447 1.00 0.00 C ATOM 637 CD1 TYR A 43 9.527 -0.094 6.751 1.00 0.00 C ATOM 638 CD2 TYR A 43 8.642 1.877 5.645 1.00 0.00 C ATOM 639 CE1 TYR A 43 10.803 0.199 6.249 1.00 0.00 C ATOM 640 CE2 TYR A 43 9.916 2.170 5.144 1.00 0.00 C ATOM 641 CZ TYR A 43 10.997 1.331 5.446 1.00 0.00 C ATOM 642 OH TYR A 43 12.252 1.620 4.951 1.00 0.00 O ATOM 0 H TYR A 43 7.672 0.046 4.538 1.00 0.00 H new ATOM 0 HA TYR A 43 6.704 -1.629 6.485 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.460 1.337 6.983 1.00 0.00 H new ATOM 0 HB3 TYR A 43 7.141 0.094 8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.376 -0.966 7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.809 2.524 5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 43 11.636 -0.448 6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.066 3.042 4.525 1.00 0.00 H new ATOM 0 HH TYR A 43 12.211 2.438 4.413 1.00 0.00 H new ATOM 652 N GLN A 44 4.366 0.610 5.743 1.00 0.00 N ATOM 653 CA GLN A 44 2.894 0.828 5.807 1.00 0.00 C ATOM 654 C GLN A 44 2.167 -0.141 4.867 1.00 0.00 C ATOM 655 O GLN A 44 1.144 -0.695 5.214 1.00 0.00 O ATOM 656 CB GLN A 44 2.575 2.268 5.399 1.00 0.00 C ATOM 657 CG GLN A 44 1.240 2.690 6.015 1.00 0.00 C ATOM 658 CD GLN A 44 1.454 3.904 6.923 1.00 0.00 C ATOM 659 OE1 GLN A 44 2.473 4.562 6.847 1.00 0.00 O ATOM 660 NE2 GLN A 44 0.528 4.233 7.784 1.00 0.00 N ATOM 0 H GLN A 44 4.899 1.371 5.321 1.00 0.00 H new ATOM 0 HA GLN A 44 2.556 0.648 6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.369 2.936 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.528 2.347 4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.526 2.933 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.815 1.865 6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.328 3.681 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.661 5.041 8.392 1.00 0.00 H new ATOM 669 N LEU A 45 2.670 -0.347 3.678 1.00 0.00 N ATOM 670 CA LEU A 45 1.974 -1.274 2.736 1.00 0.00 C ATOM 671 C LEU A 45 2.145 -2.728 3.192 1.00 0.00 C ATOM 672 O LEU A 45 1.384 -3.599 2.815 1.00 0.00 O ATOM 673 CB LEU A 45 2.561 -1.108 1.335 1.00 0.00 C ATOM 674 CG LEU A 45 2.322 0.322 0.849 1.00 0.00 C ATOM 675 CD1 LEU A 45 2.998 0.522 -0.508 1.00 0.00 C ATOM 676 CD2 LEU A 45 0.818 0.568 0.708 1.00 0.00 C ATOM 0 H LEU A 45 3.524 0.081 3.321 1.00 0.00 H new ATOM 0 HA LEU A 45 0.911 -1.032 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.629 -1.325 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.100 -1.819 0.649 1.00 0.00 H new ATOM 0 HG LEU A 45 2.741 1.024 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.827 1.542 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.069 0.347 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.580 -0.180 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.647 1.587 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.400 -0.135 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.334 0.427 1.675 1.00 0.00 H new ATOM 688 N GLU A 46 3.138 -3.002 3.992 1.00 0.00 N ATOM 689 CA GLU A 46 3.360 -4.402 4.458 1.00 0.00 C ATOM 690 C GLU A 46 2.328 -4.770 5.523 1.00 0.00 C ATOM 691 O GLU A 46 2.348 -5.855 6.067 1.00 0.00 O ATOM 692 CB GLU A 46 4.763 -4.526 5.059 1.00 0.00 C ATOM 693 CG GLU A 46 5.522 -5.651 4.356 1.00 0.00 C ATOM 694 CD GLU A 46 5.480 -6.909 5.223 1.00 0.00 C ATOM 695 OE1 GLU A 46 5.719 -6.792 6.414 1.00 0.00 O ATOM 696 OE2 GLU A 46 5.208 -7.969 4.684 1.00 0.00 O ATOM 0 H GLU A 46 3.807 -2.317 4.344 1.00 0.00 H new ATOM 0 HA GLU A 46 3.259 -5.076 3.608 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.302 -3.585 4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.696 -4.731 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.076 -5.852 3.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.555 -5.352 4.178 1.00 0.00 H new ATOM 703 N ASN A 47 1.427 -3.879 5.832 1.00 0.00 N ATOM 704 CA ASN A 47 0.406 -4.195 6.866 1.00 0.00 C ATOM 705 C ASN A 47 -0.902 -4.616 6.190 1.00 0.00 C ATOM 706 O ASN A 47 -1.934 -4.703 6.823 1.00 0.00 O ATOM 707 CB ASN A 47 0.159 -2.960 7.736 1.00 0.00 C ATOM 708 CG ASN A 47 1.345 -2.755 8.682 1.00 0.00 C ATOM 709 OD1 ASN A 47 2.179 -1.900 8.454 1.00 0.00 O ATOM 710 ND2 ASN A 47 1.458 -3.507 9.742 1.00 0.00 N ATOM 0 H ASN A 47 1.355 -2.951 5.415 1.00 0.00 H new ATOM 0 HA ASN A 47 0.767 -5.012 7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.026 -2.080 7.107 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.760 -3.084 8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.245 -3.377 10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.759 -4.225 9.935 1.00 0.00 H new ATOM 717 N TYR A 48 -0.873 -4.878 4.908 1.00 0.00 N ATOM 718 CA TYR A 48 -2.127 -5.291 4.215 1.00 0.00 C ATOM 719 C TYR A 48 -1.888 -6.566 3.404 1.00 0.00 C ATOM 720 O TYR A 48 -2.809 -7.290 3.086 1.00 0.00 O ATOM 721 CB TYR A 48 -2.588 -4.175 3.275 1.00 0.00 C ATOM 722 CG TYR A 48 -2.374 -2.834 3.932 1.00 0.00 C ATOM 723 CD1 TYR A 48 -3.198 -2.434 4.993 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.355 -1.988 3.480 1.00 0.00 C ATOM 725 CE1 TYR A 48 -3.000 -1.188 5.602 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.157 -0.742 4.089 1.00 0.00 C ATOM 727 CZ TYR A 48 -1.979 -0.342 5.150 1.00 0.00 C ATOM 728 OH TYR A 48 -1.783 0.887 5.750 1.00 0.00 O ATOM 0 H TYR A 48 -0.043 -4.824 4.317 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.895 -5.482 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.034 -4.224 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.642 -4.306 3.029 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.985 -3.086 5.341 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.721 -2.296 2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.634 -0.880 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.370 -0.090 3.740 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.034 1.347 5.317 1.00 0.00 H new ATOM 738 N CYS A 49 -0.667 -6.851 3.056 1.00 0.00 N ATOM 739 CA CYS A 49 -0.401 -8.078 2.255 1.00 0.00 C ATOM 740 C CYS A 49 0.477 -9.045 3.045 1.00 0.00 C ATOM 741 O CYS A 49 1.039 -8.705 4.067 1.00 0.00 O ATOM 742 CB CYS A 49 0.303 -7.691 0.953 1.00 0.00 C ATOM 743 SG CYS A 49 -0.081 -8.911 -0.329 1.00 0.00 S ATOM 0 H CYS A 49 0.154 -6.293 3.289 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.348 -8.568 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.019 -6.700 0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.380 -7.641 1.111 1.00 0.00 H new ATOM 748 N ASN A 50 0.593 -10.255 2.572 1.00 0.00 N ATOM 749 CA ASN A 50 1.429 -11.258 3.290 1.00 0.00 C ATOM 750 C ASN A 50 2.814 -11.323 2.645 1.00 0.00 C ATOM 751 O ASN A 50 2.886 -11.655 1.474 1.00 0.00 O ATOM 752 CB ASN A 50 0.760 -12.633 3.207 1.00 0.00 C ATOM 753 CG ASN A 50 -0.389 -12.704 4.216 1.00 0.00 C ATOM 754 OD1 ASN A 50 -1.023 -11.708 4.503 1.00 0.00 O ATOM 755 ND2 ASN A 50 -0.687 -13.849 4.766 1.00 0.00 N ATOM 756 OXT ASN A 50 3.780 -11.037 3.334 1.00 0.00 O ATOM 0 H ASN A 50 0.145 -10.593 1.720 1.00 0.00 H new ATOM 0 HA ASN A 50 1.530 -10.966 4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.384 -12.806 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.489 -13.417 3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.453 -13.908 5.437 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.154 -14.685 4.525 1.00 0.00 H new TER 763 ASN A 50