USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 409 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 GLN :FLIP amide:sc= -0.294 F(o=-1.6,f=-0.75) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.459 K(o=-0.75,f=-1.7) USER MOD Single : A 1 PHE N :NH3+ -177:sc= -1.48! (180deg=-1.72!) USER MOD Single : A 3 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.063) USER MOD Single : A 4 GLN :FLIP amide:sc= -0.78 F(o=-1.4,f=-0.78) USER MOD Single : A 5 HIS : no HE2:sc= -9.67! C(o=-9.7!,f=-9.8!) 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 -100:sc= -1.63! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 30 THR OG1 : rot -72:sc= 0.955 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -3.19! C(o=-8.1!,f=-3.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.356 0.569 -2.474 1.00 0.00 N ATOM 2 CA PHE A 1 10.744 1.916 -2.983 1.00 0.00 C ATOM 3 C PHE A 1 11.016 2.850 -1.797 1.00 0.00 C ATOM 4 O PHE A 1 11.252 2.405 -0.692 1.00 0.00 O ATOM 5 CB PHE A 1 9.613 2.477 -3.848 1.00 0.00 C ATOM 6 CG PHE A 1 8.442 2.853 -2.974 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.641 1.859 -2.401 1.00 0.00 C ATOM 8 CD2 PHE A 1 8.164 4.201 -2.734 1.00 0.00 C ATOM 9 CE1 PHE A 1 6.557 2.217 -1.586 1.00 0.00 C ATOM 10 CE2 PHE A 1 7.083 4.561 -1.919 1.00 0.00 C ATOM 11 CZ PHE A 1 6.279 3.570 -1.345 1.00 0.00 C ATOM 0 H1 PHE A 1 10.221 -0.079 -3.276 1.00 0.00 H new ATOM 0 H2 PHE A 1 11.107 0.202 -1.855 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.469 0.643 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 1 11.648 1.837 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 1 9.963 3.350 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 1 9.305 1.736 -4.586 1.00 0.00 H new ATOM 0 HD1 PHE A 1 7.857 0.817 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.783 4.967 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 1 5.937 1.451 -1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.870 5.603 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.445 3.847 -0.717 1.00 0.00 H new ATOM 23 N VAL A 2 10.996 4.140 -2.012 1.00 0.00 N ATOM 24 CA VAL A 2 11.266 5.087 -0.890 1.00 0.00 C ATOM 25 C VAL A 2 10.287 6.261 -0.949 1.00 0.00 C ATOM 26 O VAL A 2 9.284 6.217 -1.628 1.00 0.00 O ATOM 27 CB VAL A 2 12.699 5.609 -1.003 1.00 0.00 C ATOM 28 CG1 VAL A 2 13.673 4.522 -0.549 1.00 0.00 C ATOM 29 CG2 VAL A 2 12.989 5.981 -2.456 1.00 0.00 C ATOM 0 H VAL A 2 10.805 4.577 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 2 11.138 4.566 0.059 1.00 0.00 H new ATOM 0 HB VAL A 2 12.819 6.489 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.695 4.893 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.464 4.256 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.556 3.642 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 2 14.010 6.353 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.871 5.100 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.293 6.755 -2.779 1.00 0.00 H new ATOM 39 N ASN A 3 10.571 7.308 -0.231 1.00 0.00 N ATOM 40 CA ASN A 3 9.660 8.488 -0.231 1.00 0.00 C ATOM 41 C ASN A 3 9.172 8.770 -1.648 1.00 0.00 C ATOM 42 O ASN A 3 9.864 9.365 -2.451 1.00 0.00 O ATOM 43 CB ASN A 3 10.404 9.712 0.304 1.00 0.00 C ATOM 44 CG ASN A 3 10.875 9.441 1.733 1.00 0.00 C ATOM 45 OD1 ASN A 3 12.029 9.645 2.053 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.026 8.983 2.612 1.00 0.00 N ATOM 0 H ASN A 3 11.398 7.400 0.359 1.00 0.00 H new ATOM 0 HA ASN A 3 8.803 8.274 0.408 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.258 9.939 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.751 10.584 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.332 8.797 3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.057 8.812 2.344 1.00 0.00 H new ATOM 53 N GLN A 4 7.980 8.344 -1.962 1.00 0.00 N ATOM 54 CA GLN A 4 7.443 8.585 -3.322 1.00 0.00 C ATOM 55 C GLN A 4 5.918 8.739 -3.255 1.00 0.00 C ATOM 56 O GLN A 4 5.289 8.427 -2.256 1.00 0.00 O ATOM 57 CB GLN A 4 7.832 7.402 -4.223 1.00 0.00 C ATOM 58 CG GLN A 4 6.840 7.229 -5.378 1.00 0.00 C ATOM 59 CD GLN A 4 7.128 5.905 -6.086 1.00 0.00 C ATOM 60 OE1 GLN A 4 7.015 4.789 -5.418 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 7.459 5.885 -7.256 1.00 0.00 N flip ATOM 0 H GLN A 4 7.357 7.839 -1.332 1.00 0.00 H new ATOM 0 HA GLN A 4 7.861 9.503 -3.736 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.834 7.561 -4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 4 7.866 6.488 -3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.817 7.240 -5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.930 8.059 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.547 6.758 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.649 4.995 -7.717 1.00 0.00 H new ATOM 70 N HIS A 5 5.330 9.223 -4.318 1.00 0.00 N ATOM 71 CA HIS A 5 3.855 9.416 -4.349 1.00 0.00 C ATOM 72 C HIS A 5 3.198 8.161 -4.919 1.00 0.00 C ATOM 73 O HIS A 5 3.375 7.820 -6.071 1.00 0.00 O ATOM 74 CB HIS A 5 3.525 10.609 -5.243 1.00 0.00 C ATOM 75 CG HIS A 5 3.794 11.882 -4.490 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.771 12.711 -4.084 1.00 0.00 N ATOM 77 CD2 HIS A 5 4.970 12.447 -4.083 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.347 13.743 -3.449 1.00 0.00 C ATOM 79 NE2 HIS A 5 4.690 13.625 -3.425 1.00 0.00 N ATOM 0 H HIS A 5 5.816 9.495 -5.173 1.00 0.00 H new ATOM 0 HA HIS A 5 3.484 9.599 -3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.127 10.576 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.480 10.569 -5.552 1.00 0.00 H new ATOM 0 HD1 HIS A 5 1.773 12.568 -4.236 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.956 12.038 -4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.802 14.566 -3.011 1.00 0.00 H new ATOM 87 N LEU A 6 2.449 7.468 -4.115 1.00 0.00 N ATOM 88 CA LEU A 6 1.782 6.226 -4.588 1.00 0.00 C ATOM 89 C LEU A 6 0.262 6.341 -4.447 1.00 0.00 C ATOM 90 O LEU A 6 -0.257 6.667 -3.401 1.00 0.00 O ATOM 91 CB LEU A 6 2.288 5.055 -3.752 1.00 0.00 C ATOM 92 CG LEU A 6 2.921 4.026 -4.667 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.958 4.717 -5.548 1.00 0.00 C ATOM 94 CD2 LEU A 6 3.599 2.952 -3.823 1.00 0.00 C ATOM 0 H LEU A 6 2.268 7.710 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 6 2.016 6.069 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.015 5.404 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.464 4.607 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 6 2.158 3.564 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.419 3.984 -6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.472 5.490 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.724 5.171 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.056 2.210 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.368 3.410 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.858 2.468 -3.187 1.00 0.00 H new ATOM 106 N CYS A 7 -0.459 6.057 -5.491 1.00 0.00 N ATOM 107 CA CYS A 7 -1.944 6.128 -5.408 1.00 0.00 C ATOM 108 C CYS A 7 -2.502 4.717 -5.552 1.00 0.00 C ATOM 109 O CYS A 7 -1.775 3.800 -5.863 1.00 0.00 O ATOM 110 CB CYS A 7 -2.491 7.012 -6.529 1.00 0.00 C ATOM 111 SG CYS A 7 -1.970 8.724 -6.261 1.00 0.00 S ATOM 0 H CYS A 7 -0.087 5.779 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.240 6.556 -4.450 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.129 6.658 -7.494 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.579 6.952 -6.555 1.00 0.00 H new ATOM 116 N GLY A 8 -3.778 4.546 -5.321 1.00 0.00 N ATOM 117 CA GLY A 8 -4.404 3.190 -5.430 1.00 0.00 C ATOM 118 C GLY A 8 -3.674 2.342 -6.475 1.00 0.00 C ATOM 119 O GLY A 8 -3.364 1.192 -6.243 1.00 0.00 O ATOM 0 H GLY A 8 -4.421 5.294 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.373 2.690 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.454 3.289 -5.704 1.00 0.00 H new ATOM 123 N SER A 9 -3.393 2.899 -7.620 1.00 0.00 N ATOM 124 CA SER A 9 -2.685 2.115 -8.672 1.00 0.00 C ATOM 125 C SER A 9 -1.292 1.711 -8.183 1.00 0.00 C ATOM 126 O SER A 9 -1.020 0.545 -7.963 1.00 0.00 O ATOM 127 CB SER A 9 -2.554 2.960 -9.939 1.00 0.00 C ATOM 128 OG SER A 9 -3.804 2.988 -10.617 1.00 0.00 O ATOM 0 H SER A 9 -3.622 3.860 -7.873 1.00 0.00 H new ATOM 0 HA SER A 9 -3.260 1.215 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.243 3.973 -9.684 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.784 2.544 -10.589 1.00 0.00 H new ATOM 0 HG SER A 9 -3.724 3.531 -11.429 1.00 0.00 H new ATOM 134 N ASP A 10 -0.400 2.650 -8.007 1.00 0.00 N ATOM 135 CA ASP A 10 0.956 2.278 -7.533 1.00 0.00 C ATOM 136 C ASP A 10 0.846 1.771 -6.099 1.00 0.00 C ATOM 137 O ASP A 10 1.763 1.178 -5.566 1.00 0.00 O ATOM 138 CB ASP A 10 1.885 3.492 -7.604 1.00 0.00 C ATOM 139 CG ASP A 10 2.352 3.692 -9.047 1.00 0.00 C ATOM 140 OD1 ASP A 10 1.615 4.293 -9.810 1.00 0.00 O ATOM 141 OD2 ASP A 10 3.440 3.240 -9.364 1.00 0.00 O ATOM 0 H ASP A 10 -0.553 3.645 -8.170 1.00 0.00 H new ATOM 0 HA ASP A 10 1.373 1.495 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.365 4.383 -7.252 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.744 3.345 -6.949 1.00 0.00 H new ATOM 146 N LEU A 11 -0.290 1.964 -5.483 1.00 0.00 N ATOM 147 CA LEU A 11 -0.472 1.455 -4.104 1.00 0.00 C ATOM 148 C LEU A 11 -0.533 -0.056 -4.156 1.00 0.00 C ATOM 149 O LEU A 11 0.148 -0.738 -3.422 1.00 0.00 O ATOM 150 CB LEU A 11 -1.782 1.970 -3.507 1.00 0.00 C ATOM 151 CG LEU A 11 -1.502 2.680 -2.184 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.536 4.185 -2.388 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.576 2.296 -1.170 1.00 0.00 C ATOM 0 H LEU A 11 -1.094 2.451 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 11 0.359 1.796 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.265 2.655 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.471 1.140 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.518 2.383 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.336 4.685 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.777 4.471 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.520 4.481 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.380 2.801 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.554 2.596 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.561 1.217 -1.016 1.00 0.00 H new ATOM 165 N VAL A 12 -1.349 -0.590 -5.024 1.00 0.00 N ATOM 166 CA VAL A 12 -1.450 -2.065 -5.107 1.00 0.00 C ATOM 167 C VAL A 12 -0.112 -2.615 -5.551 1.00 0.00 C ATOM 168 O VAL A 12 0.268 -3.688 -5.171 1.00 0.00 O ATOM 169 CB VAL A 12 -2.533 -2.477 -6.105 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.908 -2.332 -5.456 1.00 0.00 C ATOM 171 CG2 VAL A 12 -2.449 -1.595 -7.351 1.00 0.00 C ATOM 0 H VAL A 12 -1.942 -0.071 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.718 -2.464 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.382 -3.517 -6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.679 -2.626 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.964 -2.972 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.063 -1.294 -5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.222 -1.892 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.596 -0.552 -7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.469 -1.711 -7.814 1.00 0.00 H new ATOM 181 N GLU A 13 0.618 -1.877 -6.332 1.00 0.00 N ATOM 182 CA GLU A 13 1.956 -2.366 -6.766 1.00 0.00 C ATOM 183 C GLU A 13 2.876 -2.348 -5.550 1.00 0.00 C ATOM 184 O GLU A 13 3.451 -3.350 -5.174 1.00 0.00 O ATOM 185 CB GLU A 13 2.521 -1.440 -7.838 1.00 0.00 C ATOM 186 CG GLU A 13 3.303 -2.263 -8.863 1.00 0.00 C ATOM 187 CD GLU A 13 3.570 -1.414 -10.106 1.00 0.00 C ATOM 188 OE1 GLU A 13 4.423 -0.546 -10.035 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.916 -1.649 -11.110 1.00 0.00 O ATOM 0 H GLU A 13 0.350 -0.960 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 13 1.876 -3.373 -7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.712 -0.900 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.172 -0.693 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.245 -2.600 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.739 -3.156 -9.134 1.00 0.00 H new ATOM 196 N ALA A 14 2.997 -1.213 -4.912 1.00 0.00 N ATOM 197 CA ALA A 14 3.852 -1.135 -3.702 1.00 0.00 C ATOM 198 C ALA A 14 3.356 -2.188 -2.727 1.00 0.00 C ATOM 199 O ALA A 14 4.108 -2.993 -2.216 1.00 0.00 O ATOM 200 CB ALA A 14 3.724 0.252 -3.070 1.00 0.00 C ATOM 0 H ALA A 14 2.540 -0.341 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 14 4.898 -1.305 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.353 0.306 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.042 1.009 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.686 0.430 -2.791 1.00 0.00 H new ATOM 206 N LEU A 15 2.079 -2.198 -2.494 1.00 0.00 N ATOM 207 CA LEU A 15 1.488 -3.205 -1.586 1.00 0.00 C ATOM 208 C LEU A 15 1.723 -4.585 -2.182 1.00 0.00 C ATOM 209 O LEU A 15 2.076 -5.525 -1.505 1.00 0.00 O ATOM 210 CB LEU A 15 -0.002 -2.941 -1.481 1.00 0.00 C ATOM 211 CG LEU A 15 -0.276 -2.174 -0.195 1.00 0.00 C ATOM 212 CD1 LEU A 15 -1.538 -1.353 -0.350 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.472 -3.164 0.947 1.00 0.00 C ATOM 0 H LEU A 15 1.412 -1.542 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 15 1.941 -3.150 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.345 -2.368 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.553 -3.882 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 15 0.567 -1.516 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.731 -0.805 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.415 -0.648 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.378 -2.014 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.669 -2.620 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.317 -3.815 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.429 -3.766 1.065 1.00 0.00 H new ATOM 225 N TYR A 16 1.551 -4.688 -3.463 1.00 0.00 N ATOM 226 CA TYR A 16 1.777 -5.979 -4.162 1.00 0.00 C ATOM 227 C TYR A 16 3.223 -6.391 -3.925 1.00 0.00 C ATOM 228 O TYR A 16 3.598 -7.541 -4.050 1.00 0.00 O ATOM 229 CB TYR A 16 1.522 -5.755 -5.654 1.00 0.00 C ATOM 230 CG TYR A 16 2.199 -6.806 -6.479 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.884 -8.153 -6.296 1.00 0.00 C ATOM 232 CD2 TYR A 16 3.139 -6.423 -7.440 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.516 -9.128 -7.076 1.00 0.00 C ATOM 234 CE2 TYR A 16 3.772 -7.393 -8.222 1.00 0.00 C ATOM 235 CZ TYR A 16 3.462 -8.749 -8.042 1.00 0.00 C ATOM 236 OH TYR A 16 4.086 -9.709 -8.812 1.00 0.00 O ATOM 0 H TYR A 16 1.258 -3.920 -4.068 1.00 0.00 H new ATOM 0 HA TYR A 16 1.113 -6.762 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.450 -5.769 -5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.886 -4.769 -5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.154 -8.442 -5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.376 -5.378 -7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.276 -10.172 -6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.499 -7.099 -8.964 1.00 0.00 H new ATOM 0 HH TYR A 16 4.710 -9.277 -9.431 1.00 0.00 H new ATOM 246 N LEU A 17 4.030 -5.437 -3.573 1.00 0.00 N ATOM 247 CA LEU A 17 5.460 -5.696 -3.305 1.00 0.00 C ATOM 248 C LEU A 17 5.632 -6.032 -1.829 1.00 0.00 C ATOM 249 O LEU A 17 6.000 -7.128 -1.455 1.00 0.00 O ATOM 250 CB LEU A 17 6.221 -4.410 -3.615 1.00 0.00 C ATOM 251 CG LEU A 17 7.180 -4.621 -4.787 1.00 0.00 C ATOM 252 CD1 LEU A 17 6.517 -5.478 -5.869 1.00 0.00 C ATOM 253 CD2 LEU A 17 7.538 -3.258 -5.380 1.00 0.00 C ATOM 0 H LEU A 17 3.748 -4.464 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 17 5.829 -6.523 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.517 -3.613 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.779 -4.090 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 17 8.076 -5.130 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.211 -5.620 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.248 -6.448 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.619 -4.977 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.222 -3.394 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.631 -2.763 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.016 -2.644 -4.617 1.00 0.00 H new ATOM 265 N VAL A 18 5.363 -5.076 -0.999 1.00 0.00 N ATOM 266 CA VAL A 18 5.497 -5.287 0.474 1.00 0.00 C ATOM 267 C VAL A 18 4.803 -6.580 0.864 1.00 0.00 C ATOM 268 O VAL A 18 5.164 -7.227 1.827 1.00 0.00 O ATOM 269 CB VAL A 18 4.855 -4.134 1.261 1.00 0.00 C ATOM 270 CG1 VAL A 18 5.948 -3.300 1.899 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.023 -3.246 0.342 1.00 0.00 C ATOM 0 H VAL A 18 5.052 -4.144 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 18 6.560 -5.331 0.713 1.00 0.00 H new ATOM 0 HB VAL A 18 4.202 -4.555 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.500 -2.480 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.534 -3.923 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.598 -2.896 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.579 -2.437 0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.662 -2.827 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.233 -3.839 -0.119 1.00 0.00 H new ATOM 281 N CYS A 19 3.803 -6.957 0.133 1.00 0.00 N ATOM 282 CA CYS A 19 3.080 -8.207 0.473 1.00 0.00 C ATOM 283 C CYS A 19 3.735 -9.384 -0.240 1.00 0.00 C ATOM 284 O CYS A 19 4.367 -10.223 0.367 1.00 0.00 O ATOM 285 CB CYS A 19 1.614 -8.095 0.047 1.00 0.00 C ATOM 286 SG CYS A 19 0.568 -8.167 1.515 1.00 0.00 S ATOM 0 H CYS A 19 3.453 -6.457 -0.684 1.00 0.00 H new ATOM 0 HA CYS A 19 3.125 -8.366 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.448 -7.160 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.358 -8.904 -0.638 1.00 0.00 H new ATOM 291 N GLY A 20 3.590 -9.441 -1.525 1.00 0.00 N ATOM 292 CA GLY A 20 4.206 -10.556 -2.295 1.00 0.00 C ATOM 293 C GLY A 20 3.493 -11.871 -1.964 1.00 0.00 C ATOM 294 O GLY A 20 2.899 -12.496 -2.820 1.00 0.00 O ATOM 0 H GLY A 20 3.070 -8.763 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.137 -10.353 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.266 -10.635 -2.053 1.00 0.00 H new ATOM 298 N GLU A 21 3.552 -12.301 -0.731 1.00 0.00 N ATOM 299 CA GLU A 21 2.882 -13.581 -0.362 1.00 0.00 C ATOM 300 C GLU A 21 2.091 -13.413 0.941 1.00 0.00 C ATOM 301 O GLU A 21 1.435 -14.328 1.396 1.00 0.00 O ATOM 302 CB GLU A 21 3.944 -14.668 -0.172 1.00 0.00 C ATOM 303 CG GLU A 21 4.167 -15.398 -1.498 1.00 0.00 C ATOM 304 CD GLU A 21 5.363 -14.783 -2.227 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.930 -13.838 -1.700 1.00 0.00 O ATOM 306 OE2 GLU A 21 5.690 -15.266 -3.298 1.00 0.00 O ATOM 0 H GLU A 21 4.032 -11.824 0.032 1.00 0.00 H new ATOM 0 HA GLU A 21 2.194 -13.864 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.878 -14.223 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.625 -15.374 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.345 -16.458 -1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.274 -15.327 -2.119 1.00 0.00 H new ATOM 313 N ARG A 22 2.142 -12.256 1.546 1.00 0.00 N ATOM 314 CA ARG A 22 1.384 -12.051 2.815 1.00 0.00 C ATOM 315 C ARG A 22 -0.106 -11.916 2.506 1.00 0.00 C ATOM 316 O ARG A 22 -0.935 -11.896 3.394 1.00 0.00 O ATOM 317 CB ARG A 22 1.867 -10.773 3.506 1.00 0.00 C ATOM 318 CG ARG A 22 3.145 -11.067 4.295 1.00 0.00 C ATOM 319 CD ARG A 22 4.345 -11.059 3.346 1.00 0.00 C ATOM 320 NE ARG A 22 5.370 -10.102 3.849 1.00 0.00 N ATOM 321 CZ ARG A 22 6.555 -10.531 4.187 1.00 0.00 C ATOM 322 NH1 ARG A 22 6.689 -11.344 5.200 1.00 0.00 N ATOM 323 NH2 ARG A 22 7.605 -10.149 3.514 1.00 0.00 N ATOM 0 H ARG A 22 2.672 -11.448 1.219 1.00 0.00 H new ATOM 0 HA ARG A 22 1.549 -12.907 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.056 -9.996 2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.094 -10.395 4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.282 -10.320 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.065 -12.035 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.771 -12.060 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.027 -10.774 2.343 1.00 0.00 H new ATOM 0 HE ARG A 22 5.145 -9.110 3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.868 -11.643 5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.615 -11.680 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.500 -9.514 2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.531 -10.485 3.779 1.00 0.00 H new ATOM 337 N GLY A 23 -0.457 -11.815 1.255 1.00 0.00 N ATOM 338 CA GLY A 23 -1.894 -11.672 0.898 1.00 0.00 C ATOM 339 C GLY A 23 -2.386 -10.297 1.346 1.00 0.00 C ATOM 340 O GLY A 23 -2.910 -10.134 2.431 1.00 0.00 O ATOM 0 H GLY A 23 0.189 -11.825 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.027 -11.787 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.480 -12.456 1.378 1.00 0.00 H new ATOM 344 N PHE A 24 -2.217 -9.301 0.521 1.00 0.00 N ATOM 345 CA PHE A 24 -2.673 -7.936 0.902 1.00 0.00 C ATOM 346 C PHE A 24 -4.163 -7.794 0.594 1.00 0.00 C ATOM 347 O PHE A 24 -4.794 -8.694 0.076 1.00 0.00 O ATOM 348 CB PHE A 24 -1.883 -6.885 0.105 1.00 0.00 C ATOM 349 CG PHE A 24 -2.708 -6.398 -1.070 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.816 -7.177 -2.230 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.383 -5.176 -0.978 1.00 0.00 C ATOM 352 CE1 PHE A 24 -3.597 -6.725 -3.301 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.165 -4.727 -2.048 1.00 0.00 C ATOM 354 CZ PHE A 24 -4.271 -5.501 -3.211 1.00 0.00 C ATOM 0 H PHE A 24 -1.783 -9.374 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.504 -7.783 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.624 -6.046 0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.946 -7.315 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.299 -8.123 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.301 -4.579 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.680 -7.321 -4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.687 -3.784 -1.977 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.873 -5.154 -4.038 1.00 0.00 H new ATOM 364 N PHE A 25 -4.710 -6.652 0.881 1.00 0.00 N ATOM 365 CA PHE A 25 -6.142 -6.422 0.578 1.00 0.00 C ATOM 366 C PHE A 25 -6.426 -4.930 0.615 1.00 0.00 C ATOM 367 O PHE A 25 -5.648 -4.148 1.122 1.00 0.00 O ATOM 368 CB PHE A 25 -7.002 -7.112 1.623 1.00 0.00 C ATOM 369 CG PHE A 25 -6.706 -6.485 2.955 1.00 0.00 C ATOM 370 CD1 PHE A 25 -7.275 -5.251 3.293 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.843 -7.129 3.844 1.00 0.00 C ATOM 372 CE1 PHE A 25 -6.979 -4.663 4.530 1.00 0.00 C ATOM 373 CE2 PHE A 25 -5.547 -6.546 5.080 1.00 0.00 C ATOM 374 CZ PHE A 25 -6.116 -5.311 5.425 1.00 0.00 C ATOM 0 H PHE A 25 -4.225 -5.866 1.314 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.372 -6.823 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.059 -7.005 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.787 -8.180 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.940 -4.754 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.404 -8.079 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.415 -3.711 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.881 -7.046 5.768 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.889 -4.860 6.380 1.00 0.00 H new ATOM 384 N TYR A 26 -7.552 -4.537 0.116 1.00 0.00 N ATOM 385 CA TYR A 26 -7.921 -3.105 0.153 1.00 0.00 C ATOM 386 C TYR A 26 -9.053 -2.963 1.172 1.00 0.00 C ATOM 387 O TYR A 26 -10.067 -3.624 1.072 1.00 0.00 O ATOM 388 CB TYR A 26 -8.406 -2.683 -1.229 1.00 0.00 C ATOM 389 CG TYR A 26 -7.690 -1.427 -1.679 1.00 0.00 C ATOM 390 CD1 TYR A 26 -7.591 -0.323 -0.820 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.134 -1.362 -2.966 1.00 0.00 C ATOM 392 CE1 TYR A 26 -6.937 0.843 -1.249 1.00 0.00 C ATOM 393 CE2 TYR A 26 -6.481 -0.197 -3.392 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.384 0.904 -2.533 1.00 0.00 C ATOM 395 OH TYR A 26 -5.742 2.051 -2.955 1.00 0.00 O ATOM 0 H TYR A 26 -8.240 -5.151 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.074 -2.478 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.229 -3.486 -1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.482 -2.508 -1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.018 -0.370 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.209 -2.211 -3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.861 1.693 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.053 -0.149 -4.382 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.347 2.575 -3.521 1.00 0.00 H new ATOM 405 N THR A 27 -8.887 -2.143 2.167 1.00 0.00 N ATOM 406 CA THR A 27 -9.962 -2.019 3.200 1.00 0.00 C ATOM 407 C THR A 27 -11.105 -1.138 2.704 1.00 0.00 C ATOM 408 O THR A 27 -10.938 -0.307 1.834 1.00 0.00 O ATOM 409 CB THR A 27 -9.404 -1.418 4.491 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.440 -0.714 5.164 1.00 0.00 O ATOM 411 CG2 THR A 27 -8.260 -0.455 4.176 1.00 0.00 C ATOM 0 H THR A 27 -8.065 -1.557 2.315 1.00 0.00 H new ATOM 0 HA THR A 27 -10.340 -3.023 3.394 1.00 0.00 H new ATOM 0 HB THR A 27 -9.026 -2.221 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.088 -0.328 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.872 -0.035 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.464 -0.992 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.627 0.350 3.539 1.00 0.00 H new ATOM 419 N ASP A 28 -12.264 -1.334 3.282 1.00 0.00 N ATOM 420 CA ASP A 28 -13.478 -0.545 2.907 1.00 0.00 C ATOM 421 C ASP A 28 -13.403 -0.090 1.447 1.00 0.00 C ATOM 422 O ASP A 28 -13.290 1.087 1.169 1.00 0.00 O ATOM 423 CB ASP A 28 -13.596 0.674 3.825 1.00 0.00 C ATOM 424 CG ASP A 28 -15.030 1.204 3.789 1.00 0.00 C ATOM 425 OD1 ASP A 28 -15.347 1.935 2.866 1.00 0.00 O ATOM 426 OD2 ASP A 28 -15.788 0.869 4.685 1.00 0.00 O ATOM 0 H ASP A 28 -12.423 -2.025 4.016 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.357 -1.180 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.323 0.402 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.902 1.451 3.506 1.00 0.00 H new ATOM 431 N PRO A 29 -13.475 -1.045 0.561 1.00 0.00 N ATOM 432 CA PRO A 29 -13.426 -0.792 -0.888 1.00 0.00 C ATOM 433 C PRO A 29 -14.792 -0.316 -1.393 1.00 0.00 C ATOM 434 O PRO A 29 -15.427 -0.974 -2.194 1.00 0.00 O ATOM 435 CB PRO A 29 -13.084 -2.165 -1.474 1.00 0.00 C ATOM 436 CG PRO A 29 -13.523 -3.211 -0.419 1.00 0.00 C ATOM 437 CD PRO A 29 -13.609 -2.469 0.925 1.00 0.00 C ATOM 0 HA PRO A 29 -12.710 -0.019 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.603 -2.325 -2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.017 -2.245 -1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -14.486 -3.647 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -12.806 -4.030 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.556 -2.664 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.817 -2.783 1.605 1.00 0.00 H new ATOM 445 N THR A 30 -15.254 0.814 -0.931 1.00 0.00 N ATOM 446 CA THR A 30 -16.581 1.313 -1.388 1.00 0.00 C ATOM 447 C THR A 30 -16.481 2.794 -1.750 1.00 0.00 C ATOM 448 O THR A 30 -16.403 3.162 -2.905 1.00 0.00 O ATOM 449 CB THR A 30 -17.605 1.131 -0.263 1.00 0.00 C ATOM 450 OG1 THR A 30 -17.120 1.749 0.921 1.00 0.00 O ATOM 451 CG2 THR A 30 -17.826 -0.361 -0.008 1.00 0.00 C ATOM 0 H THR A 30 -14.772 1.411 -0.259 1.00 0.00 H new ATOM 0 HA THR A 30 -16.896 0.750 -2.267 1.00 0.00 H new ATOM 0 HB THR A 30 -18.550 1.591 -0.553 1.00 0.00 H new ATOM 0 HG1 THR A 30 -16.385 1.217 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 30 -18.555 -0.489 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.198 -0.834 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.883 -0.824 0.282 1.00 0.00 H new ATOM 459 N GLY A 31 -16.494 3.640 -0.767 1.00 0.00 N ATOM 460 CA GLY A 31 -16.408 5.105 -1.033 1.00 0.00 C ATOM 461 C GLY A 31 -15.040 5.447 -1.625 1.00 0.00 C ATOM 462 O GLY A 31 -14.116 4.661 -1.570 1.00 0.00 O ATOM 0 H GLY A 31 -16.561 3.383 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.197 5.405 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.563 5.661 -0.108 1.00 0.00 H new ATOM 466 N GLY A 32 -14.905 6.617 -2.190 1.00 0.00 N ATOM 467 CA GLY A 32 -13.596 7.012 -2.783 1.00 0.00 C ATOM 468 C GLY A 32 -12.582 7.248 -1.663 1.00 0.00 C ATOM 469 O GLY A 32 -12.880 7.879 -0.668 1.00 0.00 O ATOM 0 H GLY A 32 -15.645 7.315 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.238 6.231 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.713 7.917 -3.380 1.00 0.00 H new ATOM 473 N GLY A 33 -11.388 6.745 -1.812 1.00 0.00 N ATOM 474 CA GLY A 33 -10.363 6.939 -0.748 1.00 0.00 C ATOM 475 C GLY A 33 -10.972 6.588 0.612 1.00 0.00 C ATOM 476 O GLY A 33 -10.985 7.403 1.514 1.00 0.00 O ATOM 0 H GLY A 33 -11.078 6.209 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.495 6.309 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.014 7.972 -0.747 1.00 0.00 H new ATOM 480 N PRO A 34 -11.453 5.375 0.720 1.00 0.00 N ATOM 481 CA PRO A 34 -12.074 4.877 1.960 1.00 0.00 C ATOM 482 C PRO A 34 -10.998 4.654 3.015 1.00 0.00 C ATOM 483 O PRO A 34 -11.226 4.792 4.200 1.00 0.00 O ATOM 484 CB PRO A 34 -12.737 3.566 1.532 1.00 0.00 C ATOM 485 CG PRO A 34 -12.013 3.113 0.244 1.00 0.00 C ATOM 486 CD PRO A 34 -11.399 4.383 -0.375 1.00 0.00 C ATOM 0 HA PRO A 34 -12.793 5.566 2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.647 2.812 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.802 3.711 1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.241 2.378 0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.710 2.641 -0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.375 4.210 -0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.965 4.717 -1.245 1.00 0.00 H new ATOM 494 N ARG A 35 -9.815 4.354 2.580 1.00 0.00 N ATOM 495 CA ARG A 35 -8.690 4.165 3.526 1.00 0.00 C ATOM 496 C ARG A 35 -7.644 5.201 3.184 1.00 0.00 C ATOM 497 O ARG A 35 -6.463 4.929 3.094 1.00 0.00 O ATOM 498 CB ARG A 35 -8.111 2.761 3.408 1.00 0.00 C ATOM 499 CG ARG A 35 -7.368 2.430 4.698 1.00 0.00 C ATOM 500 CD ARG A 35 -8.368 2.333 5.855 1.00 0.00 C ATOM 501 NE ARG A 35 -8.151 3.465 6.800 1.00 0.00 N ATOM 502 CZ ARG A 35 -8.358 3.293 8.078 1.00 0.00 C ATOM 503 NH1 ARG A 35 -9.486 2.789 8.494 1.00 0.00 N ATOM 504 NH2 ARG A 35 -7.434 3.628 8.938 1.00 0.00 N ATOM 0 H ARG A 35 -9.575 4.230 1.596 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.032 4.284 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.907 2.037 3.234 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.434 2.702 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.830 1.488 4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.625 3.199 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.388 2.357 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.246 1.383 6.376 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.842 4.372 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.207 2.529 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.647 2.655 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.552 4.023 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.594 3.494 9.936 1.00 0.00 H new ATOM 518 N ARG A 36 -8.098 6.399 2.977 1.00 0.00 N ATOM 519 CA ARG A 36 -7.179 7.502 2.612 1.00 0.00 C ATOM 520 C ARG A 36 -5.897 7.436 3.435 1.00 0.00 C ATOM 521 O ARG A 36 -4.877 7.936 3.008 1.00 0.00 O ATOM 522 CB ARG A 36 -7.855 8.860 2.818 1.00 0.00 C ATOM 523 CG ARG A 36 -9.025 8.734 3.796 1.00 0.00 C ATOM 524 CD ARG A 36 -9.138 10.017 4.623 1.00 0.00 C ATOM 525 NE ARG A 36 -10.391 10.735 4.261 1.00 0.00 N ATOM 526 CZ ARG A 36 -10.337 11.809 3.519 1.00 0.00 C ATOM 527 NH1 ARG A 36 -9.511 12.771 3.826 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.112 11.920 2.474 1.00 0.00 N ATOM 0 H ARG A 36 -9.081 6.664 3.046 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.926 7.388 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.130 9.579 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.212 9.244 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.952 8.557 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.874 7.877 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.138 9.778 5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.275 10.657 4.441 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.291 10.389 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.908 12.684 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.468 13.610 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.759 11.168 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.070 12.758 1.895 1.00 0.00 H new ATOM 542 N GLY A 37 -5.902 6.812 4.581 1.00 0.00 N ATOM 543 CA GLY A 37 -4.628 6.716 5.353 1.00 0.00 C ATOM 544 C GLY A 37 -3.551 6.324 4.347 1.00 0.00 C ATOM 545 O GLY A 37 -2.466 6.868 4.317 1.00 0.00 O ATOM 0 H GLY A 37 -6.715 6.372 5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.389 7.667 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.709 5.973 6.147 1.00 0.00 H new ATOM 549 N ILE A 38 -3.897 5.412 3.480 1.00 0.00 N ATOM 550 CA ILE A 38 -2.967 4.996 2.407 1.00 0.00 C ATOM 551 C ILE A 38 -3.268 5.815 1.155 1.00 0.00 C ATOM 552 O ILE A 38 -2.438 6.524 0.623 1.00 0.00 O ATOM 553 CB ILE A 38 -3.176 3.527 2.045 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.753 2.722 3.214 1.00 0.00 C ATOM 555 CG2 ILE A 38 -1.841 2.936 1.639 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.897 1.864 2.687 1.00 0.00 C ATOM 0 H ILE A 38 -4.798 4.934 3.475 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.947 5.149 2.759 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.893 3.475 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.982 2.094 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.110 3.392 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.972 1.886 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.450 3.478 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.139 3.018 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.322 1.282 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.667 2.507 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.521 1.189 1.918 1.00 0.00 H new ATOM 568 N VAL A 39 -4.469 5.659 0.679 1.00 0.00 N ATOM 569 CA VAL A 39 -4.925 6.344 -0.563 1.00 0.00 C ATOM 570 C VAL A 39 -4.737 7.856 -0.493 1.00 0.00 C ATOM 571 O VAL A 39 -4.528 8.501 -1.496 1.00 0.00 O ATOM 572 CB VAL A 39 -6.405 6.022 -0.774 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.994 6.974 -1.818 1.00 0.00 C ATOM 574 CG2 VAL A 39 -6.530 4.585 -1.270 1.00 0.00 C ATOM 0 H VAL A 39 -5.177 5.066 1.113 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.321 5.984 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.946 6.140 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.049 6.743 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.893 8.002 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.460 6.856 -2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.582 4.344 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.991 4.477 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.107 3.906 -0.529 1.00 0.00 H new ATOM 584 N GLU A 40 -4.825 8.433 0.657 1.00 0.00 N ATOM 585 CA GLU A 40 -4.659 9.907 0.750 1.00 0.00 C ATOM 586 C GLU A 40 -3.207 10.237 1.042 1.00 0.00 C ATOM 587 O GLU A 40 -2.731 11.321 0.769 1.00 0.00 O ATOM 588 CB GLU A 40 -5.540 10.472 1.859 1.00 0.00 C ATOM 589 CG GLU A 40 -5.202 11.947 2.073 1.00 0.00 C ATOM 590 CD GLU A 40 -6.488 12.775 2.038 1.00 0.00 C ATOM 591 OE1 GLU A 40 -7.539 12.211 2.295 1.00 0.00 O ATOM 592 OE2 GLU A 40 -6.398 13.958 1.753 1.00 0.00 O ATOM 0 H GLU A 40 -5.004 7.955 1.540 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.955 10.354 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.592 10.363 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.384 9.914 2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.697 12.080 3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.515 12.290 1.299 1.00 0.00 H new ATOM 599 N GLN A 41 -2.505 9.313 1.617 1.00 0.00 N ATOM 600 CA GLN A 41 -1.089 9.570 1.956 1.00 0.00 C ATOM 601 C GLN A 41 -0.206 9.333 0.733 1.00 0.00 C ATOM 602 O GLN A 41 0.041 10.229 -0.046 1.00 0.00 O ATOM 603 CB GLN A 41 -0.678 8.639 3.100 1.00 0.00 C ATOM 604 CG GLN A 41 0.840 8.688 3.280 1.00 0.00 C ATOM 605 CD GLN A 41 1.203 8.253 4.701 1.00 0.00 C ATOM 606 OE1 GLN A 41 0.413 7.436 5.344 1.00 0.00 O flip ATOM 607 NE2 GLN A 41 2.216 8.661 5.232 1.00 0.00 N flip ATOM 0 H GLN A 41 -2.852 8.387 1.868 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.966 10.607 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.174 8.939 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.996 7.619 2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.324 8.034 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.206 9.698 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.833 9.299 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.449 8.365 6.180 1.00 0.00 H new ATOM 616 N CYS A 42 0.274 8.138 0.561 1.00 0.00 N ATOM 617 CA CYS A 42 1.144 7.843 -0.610 1.00 0.00 C ATOM 618 C CYS A 42 0.590 8.532 -1.861 1.00 0.00 C ATOM 619 O CYS A 42 1.336 9.009 -2.688 1.00 0.00 O ATOM 620 CB CYS A 42 1.208 6.329 -0.827 1.00 0.00 C ATOM 621 SG CYS A 42 2.917 5.774 -0.610 1.00 0.00 S ATOM 0 H CYS A 42 0.102 7.348 1.183 1.00 0.00 H new ATOM 0 HA CYS A 42 2.148 8.222 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.554 5.819 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.854 6.077 -1.827 1.00 0.00 H new ATOM 626 N CYS A 43 -0.706 8.596 -2.020 1.00 0.00 N ATOM 627 CA CYS A 43 -1.252 9.255 -3.241 1.00 0.00 C ATOM 628 C CYS A 43 -0.992 10.763 -3.203 1.00 0.00 C ATOM 629 O CYS A 43 -0.449 11.328 -4.131 1.00 0.00 O ATOM 630 CB CYS A 43 -2.756 9.012 -3.336 1.00 0.00 C ATOM 631 SG CYS A 43 -3.352 9.468 -4.988 1.00 0.00 S ATOM 0 H CYS A 43 -1.399 8.227 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.752 8.828 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.977 7.963 -3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.276 9.597 -2.578 1.00 0.00 H new ATOM 636 N HIS A 44 -1.375 11.426 -2.145 1.00 0.00 N ATOM 637 CA HIS A 44 -1.145 12.894 -2.072 1.00 0.00 C ATOM 638 C HIS A 44 0.200 13.138 -1.410 1.00 0.00 C ATOM 639 O HIS A 44 1.078 13.781 -1.953 1.00 0.00 O ATOM 640 CB HIS A 44 -2.256 13.546 -1.251 1.00 0.00 C ATOM 641 CG HIS A 44 -3.582 13.040 -1.737 1.00 0.00 C ATOM 642 ND1 HIS A 44 -4.117 11.784 -1.728 1.00 0.00 N flip ATOM 643 CD2 HIS A 44 -4.503 13.879 -2.327 1.00 0.00 C flip ATOM 644 CE1 HIS A 44 -5.366 11.831 -2.310 1.00 0.00 C flip ATOM 645 NE2 HIS A 44 -5.557 13.120 -2.655 1.00 0.00 N flip ATOM 0 H HIS A 44 -1.835 11.015 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.149 13.326 -3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.129 13.314 -0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.208 14.631 -1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.396 14.941 -2.492 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.049 11.007 -2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.399 13.473 -3.109 1.00 0.00 H new ATOM 653 N SER A 45 0.366 12.603 -0.241 1.00 0.00 N ATOM 654 CA SER A 45 1.646 12.758 0.485 1.00 0.00 C ATOM 655 C SER A 45 2.605 11.657 0.006 1.00 0.00 C ATOM 656 O SER A 45 2.756 11.439 -1.180 1.00 0.00 O ATOM 657 CB SER A 45 1.366 12.618 1.978 1.00 0.00 C ATOM 658 OG SER A 45 0.592 13.727 2.415 1.00 0.00 O ATOM 0 H SER A 45 -0.342 12.057 0.249 1.00 0.00 H new ATOM 0 HA SER A 45 2.099 13.732 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.833 11.688 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.303 12.572 2.533 1.00 0.00 H new ATOM 0 HG SER A 45 0.408 13.640 3.374 1.00 0.00 H new ATOM 664 N ILE A 46 3.243 10.950 0.900 1.00 0.00 N ATOM 665 CA ILE A 46 4.167 9.866 0.460 1.00 0.00 C ATOM 666 C ILE A 46 4.231 8.791 1.546 1.00 0.00 C ATOM 667 O ILE A 46 4.050 9.058 2.718 1.00 0.00 O ATOM 668 CB ILE A 46 5.585 10.443 0.229 1.00 0.00 C ATOM 669 CG1 ILE A 46 5.697 11.088 -1.163 1.00 0.00 C ATOM 670 CG2 ILE A 46 6.629 9.326 0.342 1.00 0.00 C ATOM 671 CD1 ILE A 46 5.361 12.576 -1.064 1.00 0.00 C ATOM 0 H ILE A 46 3.165 11.075 1.909 1.00 0.00 H new ATOM 0 HA ILE A 46 3.799 9.434 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 46 5.766 11.203 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.705 10.957 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.017 10.596 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.624 9.740 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.580 8.881 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.426 8.561 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.440 13.033 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.344 12.695 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.058 13.062 -0.382 1.00 0.00 H new ATOM 683 N CYS A 47 4.511 7.581 1.159 1.00 0.00 N ATOM 684 CA CYS A 47 4.619 6.484 2.159 1.00 0.00 C ATOM 685 C CYS A 47 5.629 5.458 1.642 1.00 0.00 C ATOM 686 O CYS A 47 6.101 5.556 0.527 1.00 0.00 O ATOM 687 CB CYS A 47 3.247 5.831 2.389 1.00 0.00 C ATOM 688 SG CYS A 47 2.868 4.654 1.065 1.00 0.00 S ATOM 0 H CYS A 47 4.670 7.302 0.191 1.00 0.00 H new ATOM 0 HA CYS A 47 4.958 6.883 3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.239 5.319 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.475 6.600 2.431 1.00 0.00 H new ATOM 693 N SER A 48 5.977 4.486 2.434 1.00 0.00 N ATOM 694 CA SER A 48 6.968 3.483 1.961 1.00 0.00 C ATOM 695 C SER A 48 6.523 2.078 2.348 1.00 0.00 C ATOM 696 O SER A 48 5.612 1.888 3.125 1.00 0.00 O ATOM 697 CB SER A 48 8.327 3.776 2.595 1.00 0.00 C ATOM 698 OG SER A 48 8.827 5.006 2.087 1.00 0.00 O ATOM 0 H SER A 48 5.623 4.343 3.380 1.00 0.00 H new ATOM 0 HA SER A 48 7.044 3.544 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.231 3.829 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.025 2.968 2.376 1.00 0.00 H new ATOM 0 HG SER A 48 9.698 5.198 2.493 1.00 0.00 H new ATOM 704 N LEU A 49 7.188 1.096 1.813 1.00 0.00 N ATOM 705 CA LEU A 49 6.854 -0.317 2.138 1.00 0.00 C ATOM 706 C LEU A 49 6.590 -0.417 3.614 1.00 0.00 C ATOM 707 O LEU A 49 5.765 -1.174 4.085 1.00 0.00 O ATOM 708 CB LEU A 49 8.066 -1.181 1.815 1.00 0.00 C ATOM 709 CG LEU A 49 8.289 -1.311 0.299 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.445 -0.304 -0.493 1.00 0.00 C ATOM 711 CD2 LEU A 49 9.763 -1.051 0.002 1.00 0.00 C ATOM 0 H LEU A 49 7.959 1.213 1.156 1.00 0.00 H new ATOM 0 HA LEU A 49 5.983 -0.643 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.954 -0.749 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.932 -2.172 2.249 1.00 0.00 H new ATOM 0 HG LEU A 49 7.991 -2.315 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.633 -0.430 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.388 -0.475 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.713 0.710 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.939 -1.139 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.029 -0.047 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.375 -1.781 0.532 1.00 0.00 H new ATOM 723 N TYR A 50 7.305 0.359 4.335 1.00 0.00 N ATOM 724 CA TYR A 50 7.161 0.372 5.790 1.00 0.00 C ATOM 725 C TYR A 50 5.705 0.592 6.141 1.00 0.00 C ATOM 726 O TYR A 50 5.099 -0.150 6.888 1.00 0.00 O ATOM 727 CB TYR A 50 7.995 1.520 6.327 1.00 0.00 C ATOM 728 CG TYR A 50 8.036 1.409 7.805 1.00 0.00 C ATOM 729 CD1 TYR A 50 8.707 0.340 8.390 1.00 0.00 C ATOM 730 CD2 TYR A 50 7.397 2.366 8.587 1.00 0.00 C ATOM 731 CE1 TYR A 50 8.748 0.222 9.784 1.00 0.00 C ATOM 732 CE2 TYR A 50 7.431 2.258 9.982 1.00 0.00 C ATOM 733 CZ TYR A 50 8.110 1.183 10.585 1.00 0.00 C ATOM 734 OH TYR A 50 8.147 1.074 11.960 1.00 0.00 O ATOM 0 H TYR A 50 8.004 1.005 3.968 1.00 0.00 H new ATOM 0 HA TYR A 50 7.493 -0.572 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.003 1.483 5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.564 2.476 6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.195 -0.397 7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.877 3.189 8.119 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.269 -0.606 10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.937 2.998 10.594 1.00 0.00 H new ATOM 0 HH TYR A 50 7.657 1.822 12.361 1.00 0.00 H new ATOM 744 N GLN A 51 5.148 1.613 5.593 1.00 0.00 N ATOM 745 CA GLN A 51 3.727 1.927 5.861 1.00 0.00 C ATOM 746 C GLN A 51 2.840 0.934 5.110 1.00 0.00 C ATOM 747 O GLN A 51 1.897 0.392 5.650 1.00 0.00 O ATOM 748 CB GLN A 51 3.448 3.338 5.371 1.00 0.00 C ATOM 749 CG GLN A 51 4.116 4.341 6.308 1.00 0.00 C ATOM 750 CD GLN A 51 3.057 5.266 6.909 1.00 0.00 C ATOM 751 OE1 GLN A 51 2.113 5.643 6.242 1.00 0.00 O ATOM 752 NE2 GLN A 51 3.172 5.654 8.150 1.00 0.00 N ATOM 0 H GLN A 51 5.619 2.258 4.959 1.00 0.00 H new ATOM 0 HA GLN A 51 3.516 1.855 6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.826 3.464 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.373 3.517 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.646 3.815 7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.857 4.926 5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.963 5.339 8.712 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.471 6.272 8.558 1.00 0.00 H new ATOM 761 N LEU A 52 3.145 0.687 3.868 1.00 0.00 N ATOM 762 CA LEU A 52 2.328 -0.278 3.077 1.00 0.00 C ATOM 763 C LEU A 52 2.494 -1.677 3.672 1.00 0.00 C ATOM 764 O LEU A 52 1.741 -2.582 3.376 1.00 0.00 O ATOM 765 CB LEU A 52 2.806 -0.280 1.624 1.00 0.00 C ATOM 766 CG LEU A 52 2.534 1.087 0.995 1.00 0.00 C ATOM 767 CD1 LEU A 52 3.858 1.728 0.575 1.00 0.00 C ATOM 768 CD2 LEU A 52 1.644 0.913 -0.237 1.00 0.00 C ATOM 0 H LEU A 52 3.924 1.111 3.365 1.00 0.00 H new ATOM 0 HA LEU A 52 1.278 0.014 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.871 -0.506 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.292 -1.059 1.062 1.00 0.00 H new ATOM 0 HG LEU A 52 2.033 1.727 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.664 2.702 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.496 1.852 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.358 1.087 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.450 1.887 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.147 0.273 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.700 0.455 0.058 1.00 0.00 H new ATOM 780 N GLU A 53 3.477 -1.858 4.512 1.00 0.00 N ATOM 781 CA GLU A 53 3.688 -3.196 5.129 1.00 0.00 C ATOM 782 C GLU A 53 2.559 -3.476 6.115 1.00 0.00 C ATOM 783 O GLU A 53 2.198 -4.609 6.365 1.00 0.00 O ATOM 784 CB GLU A 53 5.027 -3.213 5.871 1.00 0.00 C ATOM 785 CG GLU A 53 5.270 -4.606 6.453 1.00 0.00 C ATOM 786 CD GLU A 53 6.615 -5.140 5.955 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.629 -4.599 6.358 1.00 0.00 O ATOM 788 OE2 GLU A 53 6.605 -6.082 5.180 1.00 0.00 O ATOM 0 H GLU A 53 4.141 -1.138 4.796 1.00 0.00 H new ATOM 0 HA GLU A 53 3.696 -3.960 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.835 -2.946 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.022 -2.470 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.265 -4.563 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.467 -5.281 6.157 1.00 0.00 H new ATOM 795 N ASN A 54 1.999 -2.444 6.676 1.00 0.00 N ATOM 796 CA ASN A 54 0.891 -2.634 7.650 1.00 0.00 C ATOM 797 C ASN A 54 -0.447 -2.624 6.911 1.00 0.00 C ATOM 798 O ASN A 54 -1.481 -2.910 7.483 1.00 0.00 O ATOM 799 CB ASN A 54 0.918 -1.499 8.677 1.00 0.00 C ATOM 800 CG ASN A 54 1.825 -1.892 9.844 1.00 0.00 C ATOM 801 OD1 ASN A 54 1.514 -2.799 10.592 1.00 0.00 O ATOM 802 ND2 ASN A 54 2.942 -1.245 10.034 1.00 0.00 N ATOM 0 H ASN A 54 2.261 -1.474 6.502 1.00 0.00 H new ATOM 0 HA ASN A 54 1.014 -3.589 8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.281 -0.582 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.090 -1.296 9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.554 -1.500 10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.204 -0.484 9.407 1.00 0.00 H new ATOM 809 N TYR A 55 -0.443 -2.297 5.647 1.00 0.00 N ATOM 810 CA TYR A 55 -1.724 -2.273 4.892 1.00 0.00 C ATOM 811 C TYR A 55 -1.949 -3.661 4.279 1.00 0.00 C ATOM 812 O TYR A 55 -2.909 -3.897 3.575 1.00 0.00 O ATOM 813 CB TYR A 55 -1.625 -1.223 3.784 1.00 0.00 C ATOM 814 CG TYR A 55 -1.722 0.154 4.407 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.641 0.401 5.436 1.00 0.00 C ATOM 816 CD2 TYR A 55 -0.868 1.180 3.972 1.00 0.00 C ATOM 817 CE1 TYR A 55 -2.709 1.670 6.026 1.00 0.00 C ATOM 818 CE2 TYR A 55 -0.938 2.450 4.561 1.00 0.00 C ATOM 819 CZ TYR A 55 -1.856 2.694 5.588 1.00 0.00 C ATOM 820 OH TYR A 55 -1.926 3.943 6.171 1.00 0.00 O ATOM 0 H TYR A 55 0.387 -2.047 5.109 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.556 -2.023 5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.682 -1.329 3.247 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.424 -1.365 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.297 -0.387 5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.156 0.990 3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.418 1.860 6.818 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.284 3.240 4.222 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.267 4.536 5.753 1.00 0.00 H new ATOM 830 N CYS A 56 -1.055 -4.578 4.546 1.00 0.00 N ATOM 831 CA CYS A 56 -1.180 -5.955 3.994 1.00 0.00 C ATOM 832 C CYS A 56 -2.201 -6.755 4.804 1.00 0.00 C ATOM 833 O CYS A 56 -2.961 -6.207 5.578 1.00 0.00 O ATOM 834 CB CYS A 56 0.183 -6.644 4.081 1.00 0.00 C ATOM 835 SG CYS A 56 1.041 -6.474 2.504 1.00 0.00 S ATOM 0 H CYS A 56 -0.234 -4.426 5.131 1.00 0.00 H new ATOM 0 HA CYS A 56 -1.513 -5.902 2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.777 -6.201 4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.055 -7.698 4.326 1.00 0.00 H new ATOM 840 N ASN A 57 -2.220 -8.054 4.626 1.00 0.00 N ATOM 841 CA ASN A 57 -3.183 -8.905 5.379 1.00 0.00 C ATOM 842 C ASN A 57 -3.302 -8.406 6.821 1.00 0.00 C ATOM 843 O ASN A 57 -2.290 -8.009 7.374 1.00 0.00 O ATOM 844 CB ASN A 57 -2.687 -10.353 5.384 1.00 0.00 C ATOM 845 CG ASN A 57 -3.798 -11.277 4.880 1.00 0.00 C ATOM 846 OD1 ASN A 57 -4.962 -10.936 4.944 1.00 0.00 O ATOM 847 ND2 ASN A 57 -3.485 -12.440 4.380 1.00 0.00 N ATOM 848 OXT ASN A 57 -4.403 -8.429 7.346 1.00 0.00 O ATOM 0 H ASN A 57 -1.606 -8.560 3.988 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.160 -8.852 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.805 -10.448 4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.388 -10.642 6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.218 -13.064 4.042 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.507 -12.726 4.327 1.00 0.00 H new TER 855 ASN A 57