USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 373 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 : amide:sc= 0.285 K(o=0.011,f=-1.1) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.825 K(o=0.011,f=-3.7!) USER MOD Set 1.3: A 55 TYR OH : rot 25:sc= 0.551 USER MOD Set 2.1: A 1 PHE N :NH3+ -154:sc= -7.24! (180deg=-0.29) USER MOD Set 2.2: A 4 GLN : amide:sc= -6.11! C(o=-13!,f=-2.9!) USER MOD Single : A 3 ASN : amide:sc= -0.824 K(o=-0.82,f=-3.4) USER MOD Single : A 5 HIS : no HE2:sc= -0.0855 K(o=-0.086,f=-6.5!) 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 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 44 HIS : no HE2:sc= -1.05! C(o=-1.1!,f=-6.9!) USER MOD Single : A 45 SER OG : rot 61:sc= 0.848 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= -0.0331 X(o=-0.033,f=-0.11!) USER MOD Single : A 57 ASN : amide:sc= -0.949 K(o=-0.95,f=-0.38!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -6.527 -12.273 2.319 1.00 0.00 N ATOM 2 CA PHE A 1 -6.267 -11.539 1.048 1.00 0.00 C ATOM 3 C PHE A 1 -7.204 -12.085 -0.034 1.00 0.00 C ATOM 4 O PHE A 1 -6.920 -12.009 -1.213 1.00 0.00 O ATOM 5 CB PHE A 1 -4.802 -11.770 0.638 1.00 0.00 C ATOM 6 CG PHE A 1 -4.248 -10.675 -0.237 1.00 0.00 C ATOM 7 CD1 PHE A 1 -5.067 -9.761 -0.909 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.864 -10.587 -0.365 1.00 0.00 C ATOM 9 CE1 PHE A 1 -4.488 -8.773 -1.701 1.00 0.00 C ATOM 10 CE2 PHE A 1 -2.290 -9.601 -1.150 1.00 0.00 C ATOM 11 CZ PHE A 1 -3.096 -8.691 -1.819 1.00 0.00 C ATOM 0 H1 PHE A 1 -6.262 -11.673 3.127 1.00 0.00 H new ATOM 0 H2 PHE A 1 -7.537 -12.512 2.381 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.963 -13.147 2.337 1.00 0.00 H new ATOM 0 HA PHE A 1 -6.444 -10.471 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -4.189 -11.853 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -4.725 -12.721 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -6.141 -9.821 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -2.233 -11.294 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -5.115 -8.068 -2.226 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -1.216 -9.540 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.650 -7.920 -2.430 1.00 0.00 H new ATOM 23 N VAL A 2 -8.307 -12.665 0.365 1.00 0.00 N ATOM 24 CA VAL A 2 -9.257 -13.253 -0.626 1.00 0.00 C ATOM 25 C VAL A 2 -10.363 -12.249 -0.983 1.00 0.00 C ATOM 26 O VAL A 2 -10.228 -11.466 -1.902 1.00 0.00 O ATOM 27 CB VAL A 2 -9.880 -14.517 -0.002 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.959 -15.720 -0.235 1.00 0.00 C ATOM 29 CG2 VAL A 2 -10.062 -14.310 1.511 1.00 0.00 C ATOM 0 H VAL A 2 -8.592 -12.757 1.340 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.722 -13.502 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.848 -14.702 -0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.405 -16.611 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.827 -15.875 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.990 -15.531 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.503 -15.205 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.093 -14.119 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.720 -13.459 1.685 1.00 0.00 H new ATOM 39 N ASN A 3 -11.462 -12.283 -0.271 1.00 0.00 N ATOM 40 CA ASN A 3 -12.602 -11.353 -0.563 1.00 0.00 C ATOM 41 C ASN A 3 -12.666 -10.256 0.496 1.00 0.00 C ATOM 42 O ASN A 3 -13.711 -9.694 0.758 1.00 0.00 O ATOM 43 CB ASN A 3 -13.917 -12.136 -0.557 1.00 0.00 C ATOM 44 CG ASN A 3 -13.775 -13.385 -1.424 1.00 0.00 C ATOM 45 OD1 ASN A 3 -13.065 -14.307 -1.075 1.00 0.00 O ATOM 46 ND2 ASN A 3 -14.430 -13.455 -2.547 1.00 0.00 N ATOM 0 H ASN A 3 -11.622 -12.921 0.509 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.447 -10.900 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -14.180 -12.417 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.726 -11.510 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.347 -14.285 -3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -15.026 -12.680 -2.839 1.00 0.00 H new ATOM 53 N GLN A 4 -11.562 -9.952 1.114 1.00 0.00 N ATOM 54 CA GLN A 4 -11.550 -8.897 2.171 1.00 0.00 C ATOM 55 C GLN A 4 -11.117 -7.562 1.560 1.00 0.00 C ATOM 56 O GLN A 4 -10.491 -7.510 0.521 1.00 0.00 O ATOM 57 CB GLN A 4 -10.579 -9.310 3.289 1.00 0.00 C ATOM 58 CG GLN A 4 -9.437 -10.152 2.707 1.00 0.00 C ATOM 59 CD GLN A 4 -8.433 -10.486 3.809 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.878 -9.604 4.432 1.00 0.00 O ATOM 61 NE2 GLN A 4 -8.175 -11.738 4.075 1.00 0.00 N ATOM 0 H GLN A 4 -10.659 -10.390 0.933 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.550 -8.783 2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.176 -8.423 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.110 -9.880 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.833 -11.070 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.942 -9.606 1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.642 -12.478 3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.506 -11.976 4.807 1.00 0.00 H new ATOM 70 N HIS A 5 -11.467 -6.483 2.204 1.00 0.00 N ATOM 71 CA HIS A 5 -11.109 -5.134 1.685 1.00 0.00 C ATOM 72 C HIS A 5 -9.760 -4.690 2.253 1.00 0.00 C ATOM 73 O HIS A 5 -9.482 -4.852 3.425 1.00 0.00 O ATOM 74 CB HIS A 5 -12.186 -4.138 2.113 1.00 0.00 C ATOM 75 CG HIS A 5 -12.211 -4.038 3.614 1.00 0.00 C ATOM 76 ND1 HIS A 5 -11.669 -2.953 4.292 1.00 0.00 N ATOM 77 CD2 HIS A 5 -12.710 -4.875 4.582 1.00 0.00 C ATOM 78 CE1 HIS A 5 -11.854 -3.164 5.609 1.00 0.00 C ATOM 79 NE2 HIS A 5 -12.482 -4.319 5.835 1.00 0.00 N ATOM 0 H HIS A 5 -11.992 -6.479 3.078 1.00 0.00 H new ATOM 0 HA HIS A 5 -11.040 -5.173 0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.985 -3.160 1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.160 -4.458 1.743 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -11.214 -2.144 3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -13.203 -5.818 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.534 -2.484 6.385 1.00 0.00 H new ATOM 87 N LEU A 6 -8.923 -4.122 1.426 1.00 0.00 N ATOM 88 CA LEU A 6 -7.586 -3.649 1.898 1.00 0.00 C ATOM 89 C LEU A 6 -7.682 -2.153 2.220 1.00 0.00 C ATOM 90 O LEU A 6 -8.030 -1.350 1.378 1.00 0.00 O ATOM 91 CB LEU A 6 -6.544 -3.867 0.781 1.00 0.00 C ATOM 92 CG LEU A 6 -5.846 -5.248 0.891 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.786 -6.343 1.421 1.00 0.00 C ATOM 94 CD2 LEU A 6 -5.343 -5.660 -0.497 1.00 0.00 C ATOM 0 H LEU A 6 -9.109 -3.964 0.436 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.284 -4.204 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.032 -3.785 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.794 -3.078 0.828 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.024 -5.146 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.247 -7.289 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.142 -6.068 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.636 -6.450 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.850 -6.630 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.186 -5.727 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.635 -4.917 -0.863 1.00 0.00 H new ATOM 106 N CYS A 7 -7.367 -1.774 3.430 1.00 0.00 N ATOM 107 CA CYS A 7 -7.428 -0.331 3.813 1.00 0.00 C ATOM 108 C CYS A 7 -6.226 0.010 4.694 1.00 0.00 C ATOM 109 O CYS A 7 -5.983 -0.619 5.705 1.00 0.00 O ATOM 110 CB CYS A 7 -8.721 -0.065 4.587 1.00 0.00 C ATOM 111 SG CYS A 7 -10.142 -0.452 3.535 1.00 0.00 S ATOM 0 H CYS A 7 -7.068 -2.404 4.174 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.409 0.287 2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.748 -0.673 5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.761 0.978 4.902 1.00 0.00 H new ATOM 116 N GLY A 8 -5.473 1.007 4.318 1.00 0.00 N ATOM 117 CA GLY A 8 -4.285 1.398 5.131 1.00 0.00 C ATOM 118 C GLY A 8 -3.182 0.343 4.997 1.00 0.00 C ATOM 119 O GLY A 8 -3.048 -0.309 3.980 1.00 0.00 O ATOM 0 H GLY A 8 -5.629 1.569 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.913 2.368 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.571 1.505 6.177 1.00 0.00 H new ATOM 123 N SER A 9 -2.384 0.179 6.021 1.00 0.00 N ATOM 124 CA SER A 9 -1.276 -0.822 5.970 1.00 0.00 C ATOM 125 C SER A 9 -1.778 -2.137 5.370 1.00 0.00 C ATOM 126 O SER A 9 -1.029 -2.868 4.753 1.00 0.00 O ATOM 127 CB SER A 9 -0.760 -1.076 7.386 1.00 0.00 C ATOM 128 OG SER A 9 -0.285 0.145 7.938 1.00 0.00 O ATOM 0 H SER A 9 -2.453 0.699 6.896 1.00 0.00 H new ATOM 0 HA SER A 9 -0.472 -0.432 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.556 -1.484 8.008 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.040 -1.816 7.367 1.00 0.00 H new ATOM 0 HG SER A 9 0.045 -0.014 8.847 1.00 0.00 H new ATOM 134 N ASP A 10 -3.034 -2.449 5.540 1.00 0.00 N ATOM 135 CA ASP A 10 -3.564 -3.718 4.969 1.00 0.00 C ATOM 136 C ASP A 10 -3.140 -3.816 3.504 1.00 0.00 C ATOM 137 O ASP A 10 -2.589 -4.808 3.069 1.00 0.00 O ATOM 138 CB ASP A 10 -5.092 -3.717 5.066 1.00 0.00 C ATOM 139 CG ASP A 10 -5.517 -4.043 6.500 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.716 -3.834 7.396 1.00 0.00 O ATOM 141 OD2 ASP A 10 -6.636 -4.495 6.677 1.00 0.00 O ATOM 0 H ASP A 10 -3.713 -1.882 6.048 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.170 -4.571 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.484 -2.743 4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.510 -4.450 4.377 1.00 0.00 H new ATOM 146 N LEU A 11 -3.390 -2.789 2.742 1.00 0.00 N ATOM 147 CA LEU A 11 -2.999 -2.816 1.308 1.00 0.00 C ATOM 148 C LEU A 11 -1.500 -3.105 1.196 1.00 0.00 C ATOM 149 O LEU A 11 -1.081 -3.983 0.470 1.00 0.00 O ATOM 150 CB LEU A 11 -3.310 -1.455 0.662 1.00 0.00 C ATOM 151 CG LEU A 11 -2.747 -1.403 -0.766 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.210 -2.612 -1.563 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.241 -0.143 -1.476 1.00 0.00 C ATOM 0 H LEU A 11 -3.849 -1.932 3.051 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.560 -3.596 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.388 -1.292 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.877 -0.653 1.260 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.659 -1.398 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.802 -2.560 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.861 -3.523 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.299 -2.621 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.837 -0.114 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.330 -0.153 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.908 0.738 -0.927 1.00 0.00 H new ATOM 165 N VAL A 12 -0.688 -2.366 1.903 1.00 0.00 N ATOM 166 CA VAL A 12 0.784 -2.593 1.827 1.00 0.00 C ATOM 167 C VAL A 12 1.087 -4.079 2.017 1.00 0.00 C ATOM 168 O VAL A 12 1.559 -4.746 1.118 1.00 0.00 O ATOM 169 CB VAL A 12 1.489 -1.793 2.928 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.007 -1.869 2.729 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.050 -0.328 2.868 1.00 0.00 C ATOM 0 H VAL A 12 -0.980 -1.616 2.529 1.00 0.00 H new ATOM 0 HA VAL A 12 1.143 -2.267 0.851 1.00 0.00 H new ATOM 0 HB VAL A 12 1.223 -2.214 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.506 -1.299 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.328 -2.909 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.268 -1.452 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.554 0.235 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.311 0.091 1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.029 -0.265 3.012 1.00 0.00 H new ATOM 181 N GLU A 13 0.827 -4.603 3.185 1.00 0.00 N ATOM 182 CA GLU A 13 1.111 -6.046 3.432 1.00 0.00 C ATOM 183 C GLU A 13 0.560 -6.875 2.277 1.00 0.00 C ATOM 184 O GLU A 13 1.049 -7.945 1.981 1.00 0.00 O ATOM 185 CB GLU A 13 0.442 -6.484 4.734 1.00 0.00 C ATOM 186 CG GLU A 13 0.989 -5.655 5.897 1.00 0.00 C ATOM 187 CD GLU A 13 0.568 -6.294 7.222 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.613 -6.260 7.525 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.435 -6.809 7.911 1.00 0.00 O ATOM 0 H GLU A 13 0.431 -4.096 3.977 1.00 0.00 H new ATOM 0 HA GLU A 13 2.188 -6.195 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.638 -6.357 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.627 -7.544 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.076 -5.598 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.613 -4.634 5.838 1.00 0.00 H new ATOM 196 N ALA A 14 -0.453 -6.386 1.619 1.00 0.00 N ATOM 197 CA ALA A 14 -1.034 -7.144 0.479 1.00 0.00 C ATOM 198 C ALA A 14 -0.171 -6.916 -0.769 1.00 0.00 C ATOM 199 O ALA A 14 0.313 -7.851 -1.372 1.00 0.00 O ATOM 200 CB ALA A 14 -2.488 -6.685 0.254 1.00 0.00 C ATOM 0 H ALA A 14 -0.903 -5.494 1.822 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.045 -8.212 0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.919 -7.238 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.073 -6.874 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.502 -5.619 0.029 1.00 0.00 H new ATOM 206 N LEU A 15 0.050 -5.691 -1.166 1.00 0.00 N ATOM 207 CA LEU A 15 0.897 -5.472 -2.372 1.00 0.00 C ATOM 208 C LEU A 15 2.206 -6.250 -2.202 1.00 0.00 C ATOM 209 O LEU A 15 2.778 -6.742 -3.154 1.00 0.00 O ATOM 210 CB LEU A 15 1.223 -3.982 -2.552 1.00 0.00 C ATOM 211 CG LEU A 15 0.006 -3.216 -3.120 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.106 -1.725 -2.757 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.028 -3.332 -4.651 1.00 0.00 C ATOM 0 H LEU A 15 -0.311 -4.849 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 15 0.352 -5.817 -3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.514 -3.551 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.074 -3.870 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.898 -3.650 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.755 -1.194 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.124 -1.615 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.020 -1.308 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.890 -2.788 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.886 -2.909 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.104 -4.382 -4.935 1.00 0.00 H new ATOM 225 N TYR A 16 2.686 -6.358 -0.990 1.00 0.00 N ATOM 226 CA TYR A 16 3.959 -7.097 -0.755 1.00 0.00 C ATOM 227 C TYR A 16 3.899 -8.481 -1.416 1.00 0.00 C ATOM 228 O TYR A 16 4.791 -8.854 -2.150 1.00 0.00 O ATOM 229 CB TYR A 16 4.197 -7.232 0.749 1.00 0.00 C ATOM 230 CG TYR A 16 5.440 -8.058 0.993 1.00 0.00 C ATOM 231 CD1 TYR A 16 6.687 -7.598 0.548 1.00 0.00 C ATOM 232 CD2 TYR A 16 5.347 -9.282 1.662 1.00 0.00 C ATOM 233 CE1 TYR A 16 7.837 -8.363 0.775 1.00 0.00 C ATOM 234 CE2 TYR A 16 6.497 -10.048 1.889 1.00 0.00 C ATOM 235 CZ TYR A 16 7.742 -9.588 1.445 1.00 0.00 C ATOM 236 OH TYR A 16 8.875 -10.343 1.668 1.00 0.00 O ATOM 0 H TYR A 16 2.251 -5.966 -0.155 1.00 0.00 H new ATOM 0 HA TYR A 16 4.786 -6.543 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.309 -6.246 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.336 -7.703 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.761 -6.653 0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.386 -9.637 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.798 -8.008 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.423 -10.993 2.406 1.00 0.00 H new ATOM 0 HH TYR A 16 8.633 -11.163 2.146 1.00 0.00 H new ATOM 246 N LEU A 17 2.862 -9.248 -1.184 1.00 0.00 N ATOM 247 CA LEU A 17 2.789 -10.592 -1.833 1.00 0.00 C ATOM 248 C LEU A 17 2.615 -10.398 -3.335 1.00 0.00 C ATOM 249 O LEU A 17 3.318 -10.975 -4.140 1.00 0.00 O ATOM 250 CB LEU A 17 1.579 -11.384 -1.328 1.00 0.00 C ATOM 251 CG LEU A 17 1.659 -11.619 0.188 1.00 0.00 C ATOM 252 CD1 LEU A 17 1.356 -10.318 0.951 1.00 0.00 C ATOM 253 CD2 LEU A 17 0.637 -12.701 0.577 1.00 0.00 C ATOM 0 H LEU A 17 2.074 -9.006 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 17 3.703 -11.137 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.663 -10.844 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.528 -12.342 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 17 2.666 -11.944 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.417 -10.503 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.083 -9.555 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.353 -9.973 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.684 -12.877 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.365 -12.368 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.867 -13.626 0.048 1.00 0.00 H new ATOM 265 N VAL A 18 1.664 -9.590 -3.709 1.00 0.00 N ATOM 266 CA VAL A 18 1.406 -9.344 -5.153 1.00 0.00 C ATOM 267 C VAL A 18 2.712 -8.981 -5.858 1.00 0.00 C ATOM 268 O VAL A 18 3.126 -9.627 -6.800 1.00 0.00 O ATOM 269 CB VAL A 18 0.423 -8.177 -5.287 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.044 -7.973 -6.744 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.845 -8.466 -4.486 1.00 0.00 C ATOM 0 H VAL A 18 1.049 -9.085 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 18 0.990 -10.243 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 18 0.905 -7.277 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.655 -7.141 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.939 -7.753 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.425 -8.879 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.538 -7.631 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.314 -9.375 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.589 -8.599 -3.435 1.00 0.00 H new ATOM 281 N CYS A 19 3.346 -7.936 -5.420 1.00 0.00 N ATOM 282 CA CYS A 19 4.611 -7.500 -6.069 1.00 0.00 C ATOM 283 C CYS A 19 5.759 -8.409 -5.632 1.00 0.00 C ATOM 284 O CYS A 19 6.758 -8.540 -6.310 1.00 0.00 O ATOM 285 CB CYS A 19 4.901 -6.063 -5.647 1.00 0.00 C ATOM 286 SG CYS A 19 3.353 -5.124 -5.605 1.00 0.00 S ATOM 0 H CYS A 19 3.042 -7.360 -4.635 1.00 0.00 H new ATOM 0 HA CYS A 19 4.513 -7.559 -7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.374 -6.049 -4.665 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.600 -5.602 -6.344 1.00 0.00 H new ATOM 291 N GLY A 20 5.618 -9.040 -4.509 1.00 0.00 N ATOM 292 CA GLY A 20 6.694 -9.948 -4.024 1.00 0.00 C ATOM 293 C GLY A 20 8.053 -9.248 -4.108 1.00 0.00 C ATOM 294 O GLY A 20 8.258 -8.195 -3.538 1.00 0.00 O ATOM 0 H GLY A 20 4.803 -8.969 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.493 -10.245 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.708 -10.859 -4.622 1.00 0.00 H new ATOM 298 N GLU A 21 8.987 -9.834 -4.807 1.00 0.00 N ATOM 299 CA GLU A 21 10.340 -9.218 -4.920 1.00 0.00 C ATOM 300 C GLU A 21 10.324 -8.089 -5.949 1.00 0.00 C ATOM 301 O GLU A 21 11.248 -7.304 -6.034 1.00 0.00 O ATOM 302 CB GLU A 21 11.341 -10.282 -5.369 1.00 0.00 C ATOM 303 CG GLU A 21 11.532 -11.305 -4.251 1.00 0.00 C ATOM 304 CD GLU A 21 12.686 -12.243 -4.608 1.00 0.00 C ATOM 305 OE1 GLU A 21 13.812 -11.922 -4.266 1.00 0.00 O ATOM 306 OE2 GLU A 21 12.424 -13.267 -5.217 1.00 0.00 O ATOM 0 H GLU A 21 8.871 -10.716 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 21 10.626 -8.815 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.982 -10.777 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.295 -9.817 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.741 -10.796 -3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.616 -11.877 -4.107 1.00 0.00 H new ATOM 313 N ARG A 22 9.292 -8.000 -6.737 1.00 0.00 N ATOM 314 CA ARG A 22 9.242 -6.919 -7.759 1.00 0.00 C ATOM 315 C ARG A 22 9.359 -5.560 -7.072 1.00 0.00 C ATOM 316 O ARG A 22 9.815 -4.597 -7.656 1.00 0.00 O ATOM 317 CB ARG A 22 7.915 -6.977 -8.518 1.00 0.00 C ATOM 318 CG ARG A 22 7.735 -8.357 -9.154 1.00 0.00 C ATOM 319 CD ARG A 22 6.418 -8.385 -9.934 1.00 0.00 C ATOM 320 NE ARG A 22 6.587 -7.648 -11.218 1.00 0.00 N ATOM 321 CZ ARG A 22 5.705 -7.783 -12.170 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.675 -8.565 -11.997 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.853 -7.138 -13.294 1.00 0.00 N ATOM 0 H ARG A 22 8.485 -8.624 -6.719 1.00 0.00 H new ATOM 0 HA ARG A 22 10.068 -7.056 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.089 -6.770 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.894 -6.207 -9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.570 -8.575 -9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.731 -9.128 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.120 -9.415 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.623 -7.930 -9.343 1.00 0.00 H new ATOM 0 HE ARG A 22 7.393 -7.037 -11.353 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.560 -9.070 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.985 -8.671 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.659 -6.527 -13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.163 -7.244 -14.038 1.00 0.00 H new ATOM 337 N GLY A 23 8.936 -5.465 -5.842 1.00 0.00 N ATOM 338 CA GLY A 23 9.010 -4.157 -5.137 1.00 0.00 C ATOM 339 C GLY A 23 7.898 -3.262 -5.673 1.00 0.00 C ATOM 340 O GLY A 23 7.433 -3.440 -6.782 1.00 0.00 O ATOM 0 H GLY A 23 8.544 -6.233 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.899 -4.298 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.983 -3.693 -5.299 1.00 0.00 H new ATOM 344 N PHE A 24 7.448 -2.308 -4.906 1.00 0.00 N ATOM 345 CA PHE A 24 6.355 -1.431 -5.397 1.00 0.00 C ATOM 346 C PHE A 24 6.370 -0.098 -4.661 1.00 0.00 C ATOM 347 O PHE A 24 7.103 0.103 -3.713 1.00 0.00 O ATOM 348 CB PHE A 24 5.018 -2.126 -5.164 1.00 0.00 C ATOM 349 CG PHE A 24 4.737 -2.220 -3.680 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.191 -3.326 -2.953 1.00 0.00 C ATOM 351 CD2 PHE A 24 4.017 -1.206 -3.034 1.00 0.00 C ATOM 352 CE1 PHE A 24 4.924 -3.420 -1.583 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.752 -1.302 -1.663 1.00 0.00 C ATOM 354 CZ PHE A 24 4.204 -2.409 -0.940 1.00 0.00 C ATOM 0 H PHE A 24 7.789 -2.101 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 24 6.499 -1.243 -6.461 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.220 -1.573 -5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.035 -3.123 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.748 -4.107 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.667 -0.351 -3.594 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.274 -4.274 -1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.198 -0.521 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.997 -2.484 0.117 1.00 0.00 H new ATOM 364 N PHE A 25 5.548 0.809 -5.106 1.00 0.00 N ATOM 365 CA PHE A 25 5.459 2.156 -4.474 1.00 0.00 C ATOM 366 C PHE A 25 4.051 2.362 -3.921 1.00 0.00 C ATOM 367 O PHE A 25 3.070 2.169 -4.611 1.00 0.00 O ATOM 368 CB PHE A 25 5.729 3.223 -5.540 1.00 0.00 C ATOM 369 CG PHE A 25 4.819 2.983 -6.727 1.00 0.00 C ATOM 370 CD1 PHE A 25 3.535 3.549 -6.759 1.00 0.00 C ATOM 371 CD2 PHE A 25 5.257 2.188 -7.793 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.692 3.317 -7.856 1.00 0.00 C ATOM 373 CE2 PHE A 25 4.416 1.959 -8.889 1.00 0.00 C ATOM 374 CZ PHE A 25 3.134 2.523 -8.920 1.00 0.00 C ATOM 0 H PHE A 25 4.920 0.671 -5.898 1.00 0.00 H new ATOM 0 HA PHE A 25 6.189 2.233 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.555 4.217 -5.129 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.772 3.185 -5.853 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.196 4.164 -5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.244 1.751 -7.770 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.703 3.751 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.756 1.347 -9.711 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.486 2.345 -9.766 1.00 0.00 H new ATOM 384 N TYR A 26 3.931 2.772 -2.691 1.00 0.00 N ATOM 385 CA TYR A 26 2.573 3.008 -2.140 1.00 0.00 C ATOM 386 C TYR A 26 2.013 4.252 -2.819 1.00 0.00 C ATOM 387 O TYR A 26 2.713 4.939 -3.537 1.00 0.00 O ATOM 388 CB TYR A 26 2.629 3.220 -0.620 1.00 0.00 C ATOM 389 CG TYR A 26 1.264 2.940 -0.022 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.762 1.634 -0.025 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.499 3.979 0.532 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.496 1.367 0.528 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.759 3.707 1.083 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.255 2.402 1.081 1.00 0.00 C ATOM 395 OH TYR A 26 -2.495 2.133 1.625 1.00 0.00 O ATOM 0 H TYR A 26 4.705 2.952 -2.051 1.00 0.00 H new ATOM 0 HA TYR A 26 1.938 2.142 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.375 2.560 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.934 4.242 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.345 0.832 -0.454 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.881 4.989 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.881 0.358 0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.346 4.507 1.510 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.889 2.963 1.967 1.00 0.00 H new ATOM 405 N THR A 27 0.768 4.551 -2.623 1.00 0.00 N ATOM 406 CA THR A 27 0.206 5.749 -3.289 1.00 0.00 C ATOM 407 C THR A 27 0.907 7.009 -2.762 1.00 0.00 C ATOM 408 O THR A 27 1.743 6.940 -1.883 1.00 0.00 O ATOM 409 CB THR A 27 -1.298 5.821 -3.038 1.00 0.00 C ATOM 410 OG1 THR A 27 -1.810 6.957 -3.695 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.594 5.906 -1.537 1.00 0.00 C ATOM 0 H THR A 27 0.120 4.025 -2.037 1.00 0.00 H new ATOM 0 HA THR A 27 0.374 5.682 -4.364 1.00 0.00 H new ATOM 0 HB THR A 27 -1.773 4.919 -3.424 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.776 7.015 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.672 5.956 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.196 5.023 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.125 6.799 -1.124 1.00 0.00 H new ATOM 419 N ASP A 28 0.599 8.150 -3.323 1.00 0.00 N ATOM 420 CA ASP A 28 1.271 9.416 -2.894 1.00 0.00 C ATOM 421 C ASP A 28 1.397 9.463 -1.343 1.00 0.00 C ATOM 422 O ASP A 28 0.565 8.906 -0.656 1.00 0.00 O ATOM 423 CB ASP A 28 0.438 10.620 -3.405 1.00 0.00 C ATOM 424 CG ASP A 28 1.319 11.596 -4.202 1.00 0.00 C ATOM 425 OD1 ASP A 28 2.151 11.129 -4.963 1.00 0.00 O ATOM 426 OD2 ASP A 28 1.141 12.792 -4.039 1.00 0.00 O ATOM 0 H ASP A 28 -0.093 8.261 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 28 2.275 9.460 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.377 10.263 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.015 11.139 -2.560 1.00 0.00 H new ATOM 431 N PRO A 29 2.425 10.131 -0.827 1.00 0.00 N ATOM 432 CA PRO A 29 2.632 10.250 0.638 1.00 0.00 C ATOM 433 C PRO A 29 1.692 11.317 1.229 1.00 0.00 C ATOM 434 O PRO A 29 1.646 11.520 2.426 1.00 0.00 O ATOM 435 CB PRO A 29 4.092 10.727 0.767 1.00 0.00 C ATOM 436 CG PRO A 29 4.463 11.369 -0.592 1.00 0.00 C ATOM 437 CD PRO A 29 3.473 10.808 -1.632 1.00 0.00 C ATOM 0 HA PRO A 29 2.432 9.316 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.195 11.448 1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.755 9.892 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.394 12.455 -0.538 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.490 11.128 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.049 11.604 -2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.964 10.110 -2.310 1.00 0.00 H new ATOM 518 N ARG A 36 -5.933 7.753 -5.037 1.00 0.00 N ATOM 519 CA ARG A 36 -7.069 6.950 -4.519 1.00 0.00 C ATOM 520 C ARG A 36 -7.232 5.718 -5.407 1.00 0.00 C ATOM 521 O ARG A 36 -7.648 4.671 -4.963 1.00 0.00 O ATOM 522 CB ARG A 36 -8.354 7.793 -4.548 1.00 0.00 C ATOM 523 CG ARG A 36 -8.019 9.256 -4.224 1.00 0.00 C ATOM 524 CD ARG A 36 -9.309 10.043 -3.884 1.00 0.00 C ATOM 525 NE ARG A 36 -9.338 11.341 -4.636 1.00 0.00 N ATOM 526 CZ ARG A 36 -8.292 12.126 -4.683 1.00 0.00 C ATOM 527 NH1 ARG A 36 -7.215 11.833 -4.009 1.00 0.00 N ATOM 528 NH2 ARG A 36 -8.336 13.222 -5.390 1.00 0.00 N ATOM 0 HA ARG A 36 -6.877 6.644 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.823 7.726 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.072 7.405 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.327 9.300 -3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.517 9.718 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.185 9.447 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.355 10.234 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.192 11.618 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.184 10.987 -3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.404 12.450 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.184 13.464 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.523 13.837 -5.429 1.00 0.00 H new ATOM 542 N GLY A 37 -6.898 5.847 -6.661 1.00 0.00 N ATOM 543 CA GLY A 37 -7.029 4.703 -7.608 1.00 0.00 C ATOM 544 C GLY A 37 -6.582 3.394 -6.952 1.00 0.00 C ATOM 545 O GLY A 37 -7.002 2.331 -7.358 1.00 0.00 O ATOM 0 H GLY A 37 -6.536 6.706 -7.075 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.065 4.614 -7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.428 4.892 -8.498 1.00 0.00 H new ATOM 549 N ILE A 38 -5.733 3.448 -5.947 1.00 0.00 N ATOM 550 CA ILE A 38 -5.277 2.180 -5.279 1.00 0.00 C ATOM 551 C ILE A 38 -6.038 1.982 -3.954 1.00 0.00 C ATOM 552 O ILE A 38 -6.624 0.945 -3.713 1.00 0.00 O ATOM 553 CB ILE A 38 -3.727 2.235 -5.051 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.049 0.870 -5.370 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.349 2.657 -3.615 1.00 0.00 C ATOM 556 CD1 ILE A 38 -3.900 -0.333 -4.920 1.00 0.00 C ATOM 0 H ILE A 38 -5.339 4.307 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.496 1.325 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.360 2.995 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.867 0.801 -6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.077 0.827 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.264 2.678 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.751 3.649 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.765 1.943 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.380 -1.259 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.060 -0.283 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.862 -0.310 -5.432 1.00 0.00 H new ATOM 568 N VAL A 39 -5.988 2.947 -3.076 1.00 0.00 N ATOM 569 CA VAL A 39 -6.654 2.785 -1.752 1.00 0.00 C ATOM 570 C VAL A 39 -8.169 2.608 -1.887 1.00 0.00 C ATOM 571 O VAL A 39 -8.704 1.586 -1.518 1.00 0.00 O ATOM 572 CB VAL A 39 -6.367 4.009 -0.877 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.724 3.680 0.575 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.876 4.388 -0.972 1.00 0.00 C ATOM 0 H VAL A 39 -5.515 3.840 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.250 1.884 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.966 4.851 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.522 4.547 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.781 3.422 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.123 2.837 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.682 5.259 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.266 3.552 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.625 4.621 -2.007 1.00 0.00 H new ATOM 584 N GLU A 40 -8.872 3.592 -2.374 1.00 0.00 N ATOM 585 CA GLU A 40 -10.357 3.454 -2.474 1.00 0.00 C ATOM 586 C GLU A 40 -10.736 2.259 -3.357 1.00 0.00 C ATOM 587 O GLU A 40 -11.690 1.559 -3.084 1.00 0.00 O ATOM 588 CB GLU A 40 -10.962 4.753 -3.027 1.00 0.00 C ATOM 589 CG GLU A 40 -10.826 4.812 -4.557 1.00 0.00 C ATOM 590 CD GLU A 40 -11.982 4.056 -5.224 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.768 3.458 -4.507 1.00 0.00 O ATOM 592 OE2 GLU A 40 -12.058 4.088 -6.441 1.00 0.00 O ATOM 0 H GLU A 40 -8.490 4.478 -2.705 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.761 3.272 -1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.014 4.817 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.461 5.612 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.822 5.850 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.874 4.377 -4.861 1.00 0.00 H new ATOM 599 N GLN A 41 -10.010 2.016 -4.410 1.00 0.00 N ATOM 600 CA GLN A 41 -10.356 0.866 -5.290 1.00 0.00 C ATOM 601 C GLN A 41 -10.427 -0.409 -4.454 1.00 0.00 C ATOM 602 O GLN A 41 -11.420 -1.107 -4.446 1.00 0.00 O ATOM 603 CB GLN A 41 -9.286 0.703 -6.375 1.00 0.00 C ATOM 604 CG GLN A 41 -9.747 -0.339 -7.396 1.00 0.00 C ATOM 605 CD GLN A 41 -8.836 -0.297 -8.616 1.00 0.00 C ATOM 606 OE1 GLN A 41 -7.636 -0.156 -8.494 1.00 0.00 O ATOM 607 NE2 GLN A 41 -9.366 -0.413 -9.798 1.00 0.00 N ATOM 0 H GLN A 41 -9.197 2.560 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.322 1.051 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.107 1.658 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.342 0.394 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.728 -1.333 -6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.777 -0.142 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.374 -0.531 -9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.773 -0.386 -10.628 1.00 0.00 H new ATOM 616 N CYS A 42 -9.370 -0.727 -3.762 1.00 0.00 N ATOM 617 CA CYS A 42 -9.357 -1.966 -2.937 1.00 0.00 C ATOM 618 C CYS A 42 -9.958 -1.716 -1.545 1.00 0.00 C ATOM 619 O CYS A 42 -10.427 -2.632 -0.899 1.00 0.00 O ATOM 620 CB CYS A 42 -7.915 -2.448 -2.800 1.00 0.00 C ATOM 621 SG CYS A 42 -7.226 -2.735 -4.447 1.00 0.00 S ATOM 0 H CYS A 42 -8.510 -0.179 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.965 -2.724 -3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.320 -1.706 -2.268 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.880 -3.366 -2.213 1.00 0.00 H new ATOM 626 N CYS A 43 -9.950 -0.497 -1.066 1.00 0.00 N ATOM 627 CA CYS A 43 -10.524 -0.234 0.292 1.00 0.00 C ATOM 628 C CYS A 43 -12.038 -0.052 0.187 1.00 0.00 C ATOM 629 O CYS A 43 -12.799 -0.697 0.880 1.00 0.00 O ATOM 630 CB CYS A 43 -9.896 1.027 0.896 1.00 0.00 C ATOM 631 SG CYS A 43 -10.537 1.280 2.572 1.00 0.00 S ATOM 0 H CYS A 43 -9.576 0.320 -1.549 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.305 -1.085 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.811 0.929 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.123 1.893 0.274 1.00 0.00 H new ATOM 636 N HIS A 44 -12.483 0.821 -0.673 1.00 0.00 N ATOM 637 CA HIS A 44 -13.949 1.036 -0.814 1.00 0.00 C ATOM 638 C HIS A 44 -14.579 -0.195 -1.460 1.00 0.00 C ATOM 639 O HIS A 44 -15.745 -0.481 -1.266 1.00 0.00 O ATOM 640 CB HIS A 44 -14.210 2.263 -1.688 1.00 0.00 C ATOM 641 CG HIS A 44 -15.662 2.633 -1.602 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.679 1.701 -1.767 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.283 3.830 -1.371 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.850 2.351 -1.633 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.661 3.648 -1.391 1.00 0.00 N ATOM 0 H HIS A 44 -11.897 1.393 -1.282 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.388 1.198 0.170 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.590 3.097 -1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.937 2.052 -2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.560 0.706 -1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.781 4.771 -1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.819 1.881 -1.712 1.00 0.00 H new ATOM 653 N SER A 45 -13.815 -0.930 -2.232 1.00 0.00 N ATOM 654 CA SER A 45 -14.362 -2.153 -2.901 1.00 0.00 C ATOM 655 C SER A 45 -13.344 -3.294 -2.792 1.00 0.00 C ATOM 656 O SER A 45 -12.174 -3.079 -2.546 1.00 0.00 O ATOM 657 CB SER A 45 -14.647 -1.839 -4.378 1.00 0.00 C ATOM 658 OG SER A 45 -13.736 -0.845 -4.829 1.00 0.00 O ATOM 0 H SER A 45 -12.833 -0.735 -2.428 1.00 0.00 H new ATOM 0 HA SER A 45 -15.289 -2.457 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.546 -2.742 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.673 -1.490 -4.497 1.00 0.00 H new ATOM 0 HG SER A 45 -12.819 -1.182 -4.750 1.00 0.00 H new ATOM 664 N ILE A 46 -13.791 -4.507 -2.975 1.00 0.00 N ATOM 665 CA ILE A 46 -12.873 -5.676 -2.888 1.00 0.00 C ATOM 666 C ILE A 46 -12.185 -5.872 -4.245 1.00 0.00 C ATOM 667 O ILE A 46 -12.754 -6.432 -5.161 1.00 0.00 O ATOM 668 CB ILE A 46 -13.686 -6.942 -2.534 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.839 -6.607 -1.567 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.781 -7.984 -1.878 1.00 0.00 C ATOM 671 CD1 ILE A 46 -14.287 -6.158 -0.210 1.00 0.00 C ATOM 0 H ILE A 46 -14.762 -4.739 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.123 -5.501 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 46 -14.101 -7.339 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.461 -5.819 -1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.477 -7.481 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.365 -8.871 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.980 -8.255 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.351 -7.570 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.114 -5.925 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.685 -6.958 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.669 -5.271 -0.344 1.00 0.00 H new ATOM 683 N CYS A 47 -10.967 -5.416 -4.385 1.00 0.00 N ATOM 684 CA CYS A 47 -10.252 -5.581 -5.689 1.00 0.00 C ATOM 685 C CYS A 47 -9.461 -6.890 -5.682 1.00 0.00 C ATOM 686 O CYS A 47 -9.065 -7.384 -4.645 1.00 0.00 O ATOM 687 CB CYS A 47 -9.290 -4.405 -5.904 1.00 0.00 C ATOM 688 SG CYS A 47 -7.807 -4.618 -4.884 1.00 0.00 S ATOM 0 H CYS A 47 -10.437 -4.938 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.983 -5.604 -6.497 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.011 -4.341 -6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.785 -3.468 -5.648 1.00 0.00 H new ATOM 693 N SER A 48 -9.219 -7.450 -6.836 1.00 0.00 N ATOM 694 CA SER A 48 -8.442 -8.720 -6.905 1.00 0.00 C ATOM 695 C SER A 48 -6.946 -8.391 -6.917 1.00 0.00 C ATOM 696 O SER A 48 -6.549 -7.257 -7.096 1.00 0.00 O ATOM 697 CB SER A 48 -8.822 -9.494 -8.178 1.00 0.00 C ATOM 698 OG SER A 48 -10.161 -9.179 -8.534 1.00 0.00 O ATOM 0 H SER A 48 -9.527 -7.082 -7.736 1.00 0.00 H new ATOM 0 HA SER A 48 -8.671 -9.339 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.146 -9.233 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.720 -10.566 -8.010 1.00 0.00 H new ATOM 0 HG SER A 48 -10.407 -9.669 -9.346 1.00 0.00 H new ATOM 704 N LEU A 49 -6.119 -9.376 -6.733 1.00 0.00 N ATOM 705 CA LEU A 49 -4.652 -9.133 -6.737 1.00 0.00 C ATOM 706 C LEU A 49 -4.258 -8.550 -8.088 1.00 0.00 C ATOM 707 O LEU A 49 -3.358 -7.742 -8.201 1.00 0.00 O ATOM 708 CB LEU A 49 -3.915 -10.458 -6.521 1.00 0.00 C ATOM 709 CG LEU A 49 -4.484 -11.201 -5.299 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.514 -12.302 -4.865 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.661 -10.241 -4.125 1.00 0.00 C ATOM 0 H LEU A 49 -6.396 -10.345 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.387 -8.439 -5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.010 -11.082 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.851 -10.269 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.447 -11.626 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.921 -12.825 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.375 -13.008 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.554 -11.858 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.064 -10.783 -3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.696 -9.809 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.349 -9.444 -4.407 1.00 0.00 H new ATOM 723 N TYR A 50 -4.940 -8.963 -9.111 1.00 0.00 N ATOM 724 CA TYR A 50 -4.660 -8.470 -10.473 1.00 0.00 C ATOM 725 C TYR A 50 -4.464 -6.960 -10.458 1.00 0.00 C ATOM 726 O TYR A 50 -3.444 -6.443 -10.869 1.00 0.00 O ATOM 727 CB TYR A 50 -5.871 -8.822 -11.336 1.00 0.00 C ATOM 728 CG TYR A 50 -5.451 -8.928 -12.761 1.00 0.00 C ATOM 729 CD1 TYR A 50 -4.889 -10.112 -13.204 1.00 0.00 C ATOM 730 CD2 TYR A 50 -5.623 -7.851 -13.623 1.00 0.00 C ATOM 731 CE1 TYR A 50 -4.486 -10.238 -14.536 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.226 -7.963 -14.959 1.00 0.00 C ATOM 733 CZ TYR A 50 -4.656 -9.160 -15.418 1.00 0.00 C ATOM 734 OH TYR A 50 -4.262 -9.277 -16.735 1.00 0.00 O ATOM 0 H TYR A 50 -5.700 -9.641 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.751 -8.925 -10.865 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.307 -9.764 -11.003 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.642 -8.059 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.762 -10.939 -12.521 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.061 -6.932 -13.262 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.046 -11.160 -14.885 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.358 -7.131 -15.635 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.451 -8.440 -17.209 1.00 0.00 H new ATOM 744 N GLN A 51 -5.445 -6.255 -9.993 1.00 0.00 N ATOM 745 CA GLN A 51 -5.335 -4.772 -9.953 1.00 0.00 C ATOM 746 C GLN A 51 -4.166 -4.388 -9.065 1.00 0.00 C ATOM 747 O GLN A 51 -3.392 -3.507 -9.385 1.00 0.00 O ATOM 748 CB GLN A 51 -6.623 -4.168 -9.400 1.00 0.00 C ATOM 749 CG GLN A 51 -7.830 -4.836 -10.073 1.00 0.00 C ATOM 750 CD GLN A 51 -9.065 -3.943 -9.928 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.196 -3.216 -8.965 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.976 -3.962 -10.859 1.00 0.00 N ATOM 0 H GLN A 51 -6.321 -6.637 -9.637 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.174 -4.391 -10.961 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.670 -4.310 -8.320 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.641 -3.093 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.619 -5.011 -11.128 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.018 -5.809 -9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.866 -4.573 -11.668 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.800 -3.366 -10.779 1.00 0.00 H new ATOM 761 N LEU A 52 -4.013 -5.051 -7.958 1.00 0.00 N ATOM 762 CA LEU A 52 -2.874 -4.723 -7.078 1.00 0.00 C ATOM 763 C LEU A 52 -1.598 -4.988 -7.858 1.00 0.00 C ATOM 764 O LEU A 52 -0.590 -4.333 -7.682 1.00 0.00 O ATOM 765 CB LEU A 52 -2.915 -5.597 -5.829 1.00 0.00 C ATOM 766 CG LEU A 52 -4.171 -5.273 -5.006 1.00 0.00 C ATOM 767 CD1 LEU A 52 -4.162 -6.132 -3.753 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.184 -3.790 -4.600 1.00 0.00 C ATOM 0 H LEU A 52 -4.624 -5.799 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.919 -3.680 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.916 -6.650 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.022 -5.429 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.057 -5.477 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.048 -5.914 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.163 -7.185 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.268 -5.914 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.081 -3.580 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.302 -3.570 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.178 -3.168 -5.495 1.00 0.00 H new ATOM 780 N GLU A 53 -1.650 -5.948 -8.736 1.00 0.00 N ATOM 781 CA GLU A 53 -0.465 -6.279 -9.561 1.00 0.00 C ATOM 782 C GLU A 53 -0.253 -5.137 -10.560 1.00 0.00 C ATOM 783 O GLU A 53 0.748 -5.064 -11.245 1.00 0.00 O ATOM 784 CB GLU A 53 -0.727 -7.626 -10.290 1.00 0.00 C ATOM 785 CG GLU A 53 0.454 -8.607 -10.103 1.00 0.00 C ATOM 786 CD GLU A 53 0.512 -9.587 -11.280 1.00 0.00 C ATOM 787 OE1 GLU A 53 0.900 -9.166 -12.357 1.00 0.00 O ATOM 788 OE2 GLU A 53 0.168 -10.740 -11.082 1.00 0.00 O ATOM 0 H GLU A 53 -2.474 -6.522 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 53 0.432 -6.389 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.642 -8.078 -9.906 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.884 -7.442 -11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.390 -8.053 -10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.338 -9.155 -9.168 1.00 0.00 H new ATOM 795 N ASN A 54 -1.203 -4.248 -10.637 1.00 0.00 N ATOM 796 CA ASN A 54 -1.095 -3.101 -11.576 1.00 0.00 C ATOM 797 C ASN A 54 -0.113 -2.070 -11.015 1.00 0.00 C ATOM 798 O ASN A 54 0.515 -1.333 -11.750 1.00 0.00 O ATOM 799 CB ASN A 54 -2.486 -2.465 -11.742 1.00 0.00 C ATOM 800 CG ASN A 54 -2.559 -1.692 -13.060 1.00 0.00 C ATOM 801 OD1 ASN A 54 -1.555 -1.236 -13.569 1.00 0.00 O ATOM 802 ND2 ASN A 54 -3.718 -1.528 -13.637 1.00 0.00 N ATOM 0 H ASN A 54 -2.059 -4.269 -10.082 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.731 -3.444 -12.544 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.253 -3.240 -11.723 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.690 -1.795 -10.907 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.782 -1.016 -14.517 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.560 -1.912 -13.208 1.00 0.00 H new ATOM 809 N TYR A 55 0.018 -2.007 -9.714 1.00 0.00 N ATOM 810 CA TYR A 55 0.951 -1.019 -9.090 1.00 0.00 C ATOM 811 C TYR A 55 2.251 -1.713 -8.676 1.00 0.00 C ATOM 812 O TYR A 55 3.110 -1.113 -8.060 1.00 0.00 O ATOM 813 CB TYR A 55 0.278 -0.416 -7.858 1.00 0.00 C ATOM 814 CG TYR A 55 -1.144 -0.064 -8.203 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.137 -1.035 -8.105 1.00 0.00 C ATOM 816 CD2 TYR A 55 -1.464 1.226 -8.626 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.465 -0.722 -8.430 1.00 0.00 C ATOM 818 CE2 TYR A 55 -2.787 1.546 -8.955 1.00 0.00 C ATOM 819 CZ TYR A 55 -3.789 0.572 -8.856 1.00 0.00 C ATOM 820 OH TYR A 55 -5.094 0.886 -9.179 1.00 0.00 O ATOM 0 H TYR A 55 -0.484 -2.601 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 55 1.186 -0.234 -9.809 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.301 -1.125 -7.031 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.818 0.473 -7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.884 -2.033 -7.778 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.692 1.978 -8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.234 -1.476 -8.352 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.035 2.544 -9.285 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.703 0.277 -8.710 1.00 0.00 H new ATOM 830 N CYS A 56 2.414 -2.968 -9.007 1.00 0.00 N ATOM 831 CA CYS A 56 3.672 -3.671 -8.623 1.00 0.00 C ATOM 832 C CYS A 56 4.778 -3.305 -9.615 1.00 0.00 C ATOM 833 O CYS A 56 4.757 -3.712 -10.759 1.00 0.00 O ATOM 834 CB CYS A 56 3.453 -5.185 -8.649 1.00 0.00 C ATOM 835 SG CYS A 56 2.370 -5.674 -7.281 1.00 0.00 S ATOM 0 H CYS A 56 1.737 -3.531 -9.522 1.00 0.00 H new ATOM 0 HA CYS A 56 3.960 -3.367 -7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.009 -5.481 -9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.410 -5.701 -8.570 1.00 0.00 H new ATOM 840 N ASN A 57 5.744 -2.538 -9.187 1.00 0.00 N ATOM 841 CA ASN A 57 6.847 -2.149 -10.110 1.00 0.00 C ATOM 842 C ASN A 57 6.254 -1.611 -11.415 1.00 0.00 C ATOM 843 O ASN A 57 5.993 -0.421 -11.477 1.00 0.00 O ATOM 844 CB ASN A 57 7.718 -3.373 -10.409 1.00 0.00 C ATOM 845 CG ASN A 57 8.757 -3.018 -11.475 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.459 -3.017 -12.653 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.972 -2.714 -11.109 1.00 0.00 N ATOM 848 OXT ASN A 57 6.071 -2.398 -12.328 1.00 0.00 O ATOM 0 H ASN A 57 5.817 -2.165 -8.240 1.00 0.00 H new ATOM 0 HA ASN A 57 7.457 -1.376 -9.643 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.216 -3.708 -9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.096 -4.199 -10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.672 -2.475 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.222 -2.715 -10.120 1.00 0.00 H new