USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 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= -1.54 F(o=-5.9!,f=-4.6) USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= -3.66 F(o=-6.5!,f=-4.6) USER MOD Set 1.3: A 55 TYR OH : rot 101:sc= 0.564 USER MOD Set 2.1: A 1 PHE N :NH3+ -176:sc= -2.44! (180deg=-0.279) USER MOD Set 2.2: A 4 GLN :FLIP amide:sc= -2.29! C(o=-15!,f=-4.7!) USER MOD Single : A 3 ASN : amide:sc= -1.03 K(o=-1,f=-4.1!) USER MOD Single : A 5 HIS : no HD1:sc= 0.544 K(o=0.54,f=-3!) 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 -173:sc= -6.84! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 44 HIS : no HD1:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 45 SER OG : rot 76:sc= 0.846 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.39!) USER MOD Single : A 57 ASN : amide:sc= -0.785 X(o=-0.79,f=-0.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.601 -12.380 2.838 1.00 0.00 N ATOM 2 CA PHE A 1 -5.400 -11.566 1.608 1.00 0.00 C ATOM 3 C PHE A 1 -6.321 -12.104 0.509 1.00 0.00 C ATOM 4 O PHE A 1 -5.998 -12.062 -0.662 1.00 0.00 O ATOM 5 CB PHE A 1 -3.934 -11.694 1.168 1.00 0.00 C ATOM 6 CG PHE A 1 -3.493 -10.599 0.224 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.396 -9.728 -0.400 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.127 -10.468 -0.027 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.922 -8.746 -1.262 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.657 -9.483 -0.885 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.550 -8.621 -1.505 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.032 -11.984 3.613 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.606 -12.365 3.104 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.305 -13.361 2.658 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.633 -10.518 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.295 -11.682 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.791 -12.660 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.456 -9.819 -0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.429 -11.139 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.617 -8.076 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.597 -9.388 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.187 -7.855 -2.174 1.00 0.00 H new ATOM 23 N VAL A 2 -7.457 -12.631 0.886 1.00 0.00 N ATOM 24 CA VAL A 2 -8.406 -13.206 -0.117 1.00 0.00 C ATOM 25 C VAL A 2 -9.595 -12.258 -0.341 1.00 0.00 C ATOM 26 O VAL A 2 -9.554 -11.382 -1.182 1.00 0.00 O ATOM 27 CB VAL A 2 -8.911 -14.550 0.434 1.00 0.00 C ATOM 28 CG1 VAL A 2 -7.904 -15.658 0.103 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.071 -14.452 1.963 1.00 0.00 C ATOM 0 H VAL A 2 -7.772 -12.689 1.855 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.900 -13.344 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.873 -14.785 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.266 -16.608 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.788 -15.733 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.941 -15.422 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.429 -15.405 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.108 -14.213 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.789 -13.668 2.204 1.00 0.00 H new ATOM 39 N ASN A 3 -10.657 -12.438 0.401 1.00 0.00 N ATOM 40 CA ASN A 3 -11.867 -11.569 0.241 1.00 0.00 C ATOM 41 C ASN A 3 -11.879 -10.497 1.327 1.00 0.00 C ATOM 42 O ASN A 3 -12.920 -9.995 1.705 1.00 0.00 O ATOM 43 CB ASN A 3 -13.133 -12.421 0.359 1.00 0.00 C ATOM 44 CG ASN A 3 -12.994 -13.674 -0.504 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.183 -14.533 -0.225 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.763 -13.817 -1.545 1.00 0.00 N ATOM 0 H ASN A 3 -10.741 -13.157 1.119 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.837 -11.094 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.299 -12.701 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.002 -11.844 0.042 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.684 -14.651 -2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.444 -13.095 -1.779 1.00 0.00 H new ATOM 53 N GLN A 4 -10.735 -10.146 1.837 1.00 0.00 N ATOM 54 CA GLN A 4 -10.669 -9.110 2.910 1.00 0.00 C ATOM 55 C GLN A 4 -10.373 -7.744 2.284 1.00 0.00 C ATOM 56 O GLN A 4 -9.882 -7.644 1.178 1.00 0.00 O ATOM 57 CB GLN A 4 -9.567 -9.486 3.919 1.00 0.00 C ATOM 58 CG GLN A 4 -8.464 -10.291 3.221 1.00 0.00 C ATOM 59 CD GLN A 4 -7.359 -10.623 4.223 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.213 -11.857 4.620 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 -6.624 -9.754 4.648 1.00 0.00 N flip ATOM 0 H GLN A 4 -9.834 -10.533 1.557 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.624 -9.059 3.432 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.145 -8.583 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.994 -10.070 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.878 -11.209 2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.054 -9.719 2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.740 -8.790 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.891 -9.989 5.317 1.00 0.00 H new ATOM 70 N HIS A 5 -10.690 -6.692 2.990 1.00 0.00 N ATOM 71 CA HIS A 5 -10.457 -5.318 2.459 1.00 0.00 C ATOM 72 C HIS A 5 -9.096 -4.793 2.924 1.00 0.00 C ATOM 73 O HIS A 5 -8.736 -4.902 4.079 1.00 0.00 O ATOM 74 CB HIS A 5 -11.556 -4.392 2.984 1.00 0.00 C ATOM 75 CG HIS A 5 -11.726 -4.603 4.464 1.00 0.00 C ATOM 76 ND1 HIS A 5 -12.463 -5.660 4.983 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.262 -3.901 5.549 1.00 0.00 C ATOM 78 CE1 HIS A 5 -12.421 -5.564 6.325 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.702 -4.512 6.717 1.00 0.00 N ATOM 0 H HIS A 5 -11.105 -6.727 3.921 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.473 -5.347 1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.298 -3.353 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.494 -4.594 2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.650 -3.012 5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.908 -6.253 6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.514 -4.217 7.675 1.00 0.00 H new ATOM 87 N LEU A 6 -8.343 -4.214 2.027 1.00 0.00 N ATOM 88 CA LEU A 6 -7.004 -3.662 2.397 1.00 0.00 C ATOM 89 C LEU A 6 -7.161 -2.165 2.684 1.00 0.00 C ATOM 90 O LEU A 6 -7.693 -1.423 1.883 1.00 0.00 O ATOM 91 CB LEU A 6 -6.022 -3.859 1.222 1.00 0.00 C ATOM 92 CG LEU A 6 -5.246 -5.201 1.321 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.083 -6.320 1.961 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.831 -5.639 -0.088 1.00 0.00 C ATOM 0 H LEU A 6 -8.599 -4.098 1.046 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.616 -4.176 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.573 -3.829 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.312 -3.032 1.202 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.377 -5.033 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.493 -7.235 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.373 -6.026 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.977 -6.493 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.285 -6.581 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.720 -5.772 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.192 -4.876 -0.533 1.00 0.00 H new ATOM 106 N CYS A 7 -6.693 -1.716 3.816 1.00 0.00 N ATOM 107 CA CYS A 7 -6.805 -0.266 4.155 1.00 0.00 C ATOM 108 C CYS A 7 -5.550 0.174 4.910 1.00 0.00 C ATOM 109 O CYS A 7 -5.183 -0.399 5.917 1.00 0.00 O ATOM 110 CB CYS A 7 -8.037 -0.044 5.034 1.00 0.00 C ATOM 111 SG CYS A 7 -9.521 -0.542 4.125 1.00 0.00 S ATOM 0 H CYS A 7 -6.236 -2.291 4.524 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.903 0.319 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.950 -0.622 5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.108 1.005 5.322 1.00 0.00 H new ATOM 116 N GLY A 8 -4.893 1.193 4.432 1.00 0.00 N ATOM 117 CA GLY A 8 -3.661 1.681 5.119 1.00 0.00 C ATOM 118 C GLY A 8 -2.516 0.680 4.929 1.00 0.00 C ATOM 119 O GLY A 8 -2.433 -0.004 3.928 1.00 0.00 O ATOM 0 H GLY A 8 -5.155 1.711 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.374 2.653 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.859 1.820 6.182 1.00 0.00 H new ATOM 123 N SER A 9 -1.627 0.601 5.885 1.00 0.00 N ATOM 124 CA SER A 9 -0.473 -0.342 5.775 1.00 0.00 C ATOM 125 C SER A 9 -0.948 -1.708 5.277 1.00 0.00 C ATOM 126 O SER A 9 -0.219 -2.420 4.615 1.00 0.00 O ATOM 127 CB SER A 9 0.182 -0.503 7.147 1.00 0.00 C ATOM 128 OG SER A 9 0.636 0.765 7.602 1.00 0.00 O ATOM 0 H SER A 9 -1.651 1.153 6.743 1.00 0.00 H new ATOM 0 HA SER A 9 0.248 0.063 5.064 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.531 -0.923 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.017 -1.200 7.084 1.00 0.00 H new ATOM 0 HG SER A 9 1.055 0.666 8.482 1.00 0.00 H new ATOM 134 N ASP A 10 -2.161 -2.088 5.582 1.00 0.00 N ATOM 135 CA ASP A 10 -2.660 -3.410 5.113 1.00 0.00 C ATOM 136 C ASP A 10 -2.371 -3.544 3.618 1.00 0.00 C ATOM 137 O ASP A 10 -1.803 -4.520 3.167 1.00 0.00 O ATOM 138 CB ASP A 10 -4.170 -3.499 5.359 1.00 0.00 C ATOM 139 CG ASP A 10 -4.434 -3.836 6.829 1.00 0.00 C ATOM 140 OD1 ASP A 10 -3.739 -3.296 7.673 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.326 -4.628 7.083 1.00 0.00 O ATOM 0 H ASP A 10 -2.823 -1.542 6.133 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.161 -4.213 5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.647 -2.553 5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.609 -4.262 4.716 1.00 0.00 H new ATOM 146 N LEU A 11 -2.751 -2.565 2.848 1.00 0.00 N ATOM 147 CA LEU A 11 -2.493 -2.629 1.386 1.00 0.00 C ATOM 148 C LEU A 11 -0.997 -2.854 1.148 1.00 0.00 C ATOM 149 O LEU A 11 -0.600 -3.747 0.427 1.00 0.00 O ATOM 150 CB LEU A 11 -2.927 -1.309 0.723 1.00 0.00 C ATOM 151 CG LEU A 11 -2.482 -1.281 -0.748 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.935 -2.545 -1.462 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.104 -0.077 -1.459 1.00 0.00 C ATOM 0 H LEU A 11 -3.229 -1.723 3.169 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.062 -3.451 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.010 -1.202 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.492 -0.465 1.258 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.394 -1.212 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.613 -2.510 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.496 -3.415 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.022 -2.616 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.784 -0.064 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.191 -0.149 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.781 0.842 -0.969 1.00 0.00 H new ATOM 165 N VAL A 12 -0.165 -2.041 1.742 1.00 0.00 N ATOM 166 CA VAL A 12 1.305 -2.200 1.542 1.00 0.00 C ATOM 167 C VAL A 12 1.705 -3.659 1.761 1.00 0.00 C ATOM 168 O VAL A 12 2.130 -4.339 0.848 1.00 0.00 O ATOM 169 CB VAL A 12 2.060 -1.322 2.546 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.552 -1.304 2.195 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.514 0.107 2.495 1.00 0.00 C ATOM 0 H VAL A 12 -0.439 -1.274 2.356 1.00 0.00 H new ATOM 0 HA VAL A 12 1.557 -1.900 0.525 1.00 0.00 H new ATOM 0 HB VAL A 12 1.925 -1.729 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.087 -0.679 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.947 -2.319 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.685 -0.901 1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.053 0.728 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.646 0.511 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.454 0.101 2.747 1.00 0.00 H new ATOM 181 N GLU A 13 1.581 -4.145 2.966 1.00 0.00 N ATOM 182 CA GLU A 13 1.964 -5.559 3.240 1.00 0.00 C ATOM 183 C GLU A 13 1.349 -6.466 2.180 1.00 0.00 C ATOM 184 O GLU A 13 1.852 -7.532 1.894 1.00 0.00 O ATOM 185 CB GLU A 13 1.453 -5.968 4.621 1.00 0.00 C ATOM 186 CG GLU A 13 1.959 -4.974 5.670 1.00 0.00 C ATOM 187 CD GLU A 13 1.729 -5.546 7.070 1.00 0.00 C ATOM 188 OE1 GLU A 13 2.453 -6.454 7.445 1.00 0.00 O ATOM 189 OE2 GLU A 13 0.834 -5.064 7.745 1.00 0.00 O ATOM 0 H GLU A 13 1.232 -3.625 3.771 1.00 0.00 H new ATOM 0 HA GLU A 13 3.050 -5.653 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.363 -5.993 4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.795 -6.974 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.020 -4.776 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.439 -4.022 5.565 1.00 0.00 H new ATOM 196 N ALA A 14 0.264 -6.049 1.589 1.00 0.00 N ATOM 197 CA ALA A 14 -0.381 -6.886 0.542 1.00 0.00 C ATOM 198 C ALA A 14 0.348 -6.671 -0.791 1.00 0.00 C ATOM 199 O ALA A 14 0.814 -7.609 -1.404 1.00 0.00 O ATOM 200 CB ALA A 14 -1.873 -6.511 0.439 1.00 0.00 C ATOM 0 H ALA A 14 -0.203 -5.164 1.787 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.315 -7.943 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.350 -7.122 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.360 -6.687 1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.966 -5.458 0.173 1.00 0.00 H new ATOM 206 N LEU A 15 0.475 -5.454 -1.250 1.00 0.00 N ATOM 207 CA LEU A 15 1.194 -5.247 -2.538 1.00 0.00 C ATOM 208 C LEU A 15 2.550 -5.956 -2.460 1.00 0.00 C ATOM 209 O LEU A 15 3.054 -6.467 -3.440 1.00 0.00 O ATOM 210 CB LEU A 15 1.433 -3.754 -2.804 1.00 0.00 C ATOM 211 CG LEU A 15 0.137 -3.065 -3.290 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.202 -1.559 -2.998 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.024 -3.248 -4.805 1.00 0.00 C ATOM 0 H LEU A 15 0.120 -4.611 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 15 0.586 -5.651 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.787 -3.271 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.216 -3.635 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.705 -3.517 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.715 -1.081 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.311 -1.401 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.056 -1.124 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.940 -2.759 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.830 -2.805 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.076 -4.311 -5.040 1.00 0.00 H new ATOM 225 N TYR A 16 3.149 -5.977 -1.299 1.00 0.00 N ATOM 226 CA TYR A 16 4.475 -6.640 -1.157 1.00 0.00 C ATOM 227 C TYR A 16 4.431 -8.051 -1.758 1.00 0.00 C ATOM 228 O TYR A 16 5.276 -8.410 -2.551 1.00 0.00 O ATOM 229 CB TYR A 16 4.858 -6.698 0.321 1.00 0.00 C ATOM 230 CG TYR A 16 6.166 -7.441 0.474 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.337 -6.927 -0.099 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.210 -8.642 1.188 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.547 -7.615 0.043 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.420 -9.331 1.331 1.00 0.00 C ATOM 235 CZ TYR A 16 8.589 -8.817 0.758 1.00 0.00 C ATOM 236 OH TYR A 16 9.782 -9.496 0.899 1.00 0.00 O ATOM 0 H TYR A 16 2.776 -5.564 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 16 5.226 -6.064 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.951 -5.689 0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.075 -7.198 0.891 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.305 -5.999 -0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.308 -9.039 1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.449 -7.218 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.452 -10.259 1.883 1.00 0.00 H new ATOM 0 HH TYR A 16 9.635 -10.310 1.424 1.00 0.00 H new ATOM 246 N LEU A 17 3.459 -8.855 -1.409 1.00 0.00 N ATOM 247 CA LEU A 17 3.401 -10.227 -2.000 1.00 0.00 C ATOM 248 C LEU A 17 3.085 -10.104 -3.486 1.00 0.00 C ATOM 249 O LEU A 17 3.748 -10.673 -4.330 1.00 0.00 O ATOM 250 CB LEU A 17 2.285 -11.057 -1.359 1.00 0.00 C ATOM 251 CG LEU A 17 2.511 -11.225 0.151 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.219 -9.907 0.888 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.577 -12.330 0.672 1.00 0.00 C ATOM 0 H LEU A 17 2.714 -8.627 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 17 4.360 -10.715 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.324 -10.574 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.240 -12.037 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 17 3.551 -11.498 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.384 -10.043 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.883 -9.127 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.183 -9.615 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.728 -12.459 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.541 -12.050 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.799 -13.266 0.159 1.00 0.00 H new ATOM 265 N VAL A 18 2.059 -9.366 -3.800 1.00 0.00 N ATOM 266 CA VAL A 18 1.660 -9.193 -5.221 1.00 0.00 C ATOM 267 C VAL A 18 2.874 -8.784 -6.055 1.00 0.00 C ATOM 268 O VAL A 18 3.238 -9.440 -7.011 1.00 0.00 O ATOM 269 CB VAL A 18 0.599 -8.091 -5.305 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.081 -7.963 -6.729 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.576 -8.423 -4.386 1.00 0.00 C ATOM 0 H VAL A 18 1.475 -8.871 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 18 1.261 -10.132 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 18 1.058 -7.152 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.672 -7.176 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.907 -7.713 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.363 -8.908 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.325 -7.634 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.020 -9.371 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.223 -8.502 -3.358 1.00 0.00 H new ATOM 281 N CYS A 19 3.484 -7.691 -5.711 1.00 0.00 N ATOM 282 CA CYS A 19 4.657 -7.208 -6.488 1.00 0.00 C ATOM 283 C CYS A 19 5.896 -8.029 -6.129 1.00 0.00 C ATOM 284 O CYS A 19 6.837 -8.122 -6.891 1.00 0.00 O ATOM 285 CB CYS A 19 4.892 -5.740 -6.146 1.00 0.00 C ATOM 286 SG CYS A 19 3.298 -4.890 -6.034 1.00 0.00 S ATOM 0 H CYS A 19 3.220 -7.105 -4.919 1.00 0.00 H new ATOM 0 HA CYS A 19 4.466 -7.318 -7.555 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.429 -5.656 -5.201 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.514 -5.272 -6.909 1.00 0.00 H new ATOM 291 N GLY A 20 5.896 -8.627 -4.979 1.00 0.00 N ATOM 292 CA GLY A 20 7.066 -9.451 -4.566 1.00 0.00 C ATOM 293 C GLY A 20 8.368 -8.683 -4.810 1.00 0.00 C ATOM 294 O GLY A 20 8.574 -7.606 -4.287 1.00 0.00 O ATOM 0 H GLY A 20 5.135 -8.583 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.982 -9.712 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.077 -10.386 -5.126 1.00 0.00 H new ATOM 298 N GLU A 21 9.255 -9.240 -5.590 1.00 0.00 N ATOM 299 CA GLU A 21 10.554 -8.558 -5.860 1.00 0.00 C ATOM 300 C GLU A 21 10.369 -7.463 -6.909 1.00 0.00 C ATOM 301 O GLU A 21 11.220 -6.615 -7.087 1.00 0.00 O ATOM 302 CB GLU A 21 11.559 -9.581 -6.387 1.00 0.00 C ATOM 303 CG GLU A 21 11.901 -10.576 -5.279 1.00 0.00 C ATOM 304 CD GLU A 21 13.015 -11.509 -5.757 1.00 0.00 C ATOM 305 OE1 GLU A 21 12.960 -11.929 -6.901 1.00 0.00 O ATOM 306 OE2 GLU A 21 13.906 -11.786 -4.971 1.00 0.00 O ATOM 0 H GLU A 21 9.136 -10.141 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 21 10.918 -8.112 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.143 -10.106 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.463 -9.076 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.218 -10.043 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.018 -11.155 -5.010 1.00 0.00 H new ATOM 313 N ARG A 22 9.275 -7.476 -7.613 1.00 0.00 N ATOM 314 CA ARG A 22 9.060 -6.435 -8.653 1.00 0.00 C ATOM 315 C ARG A 22 9.154 -5.050 -8.015 1.00 0.00 C ATOM 316 O ARG A 22 9.507 -4.083 -8.661 1.00 0.00 O ATOM 317 CB ARG A 22 7.674 -6.606 -9.277 1.00 0.00 C ATOM 318 CG ARG A 22 7.525 -8.026 -9.831 1.00 0.00 C ATOM 319 CD ARG A 22 6.154 -8.175 -10.497 1.00 0.00 C ATOM 320 NE ARG A 22 6.193 -7.562 -11.855 1.00 0.00 N ATOM 321 CZ ARG A 22 5.254 -7.832 -12.720 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.278 -8.634 -12.393 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.291 -7.300 -13.911 1.00 0.00 N ATOM 0 H ARG A 22 8.523 -8.158 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 22 9.822 -6.538 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.903 -6.414 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.532 -5.878 -10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.316 -8.231 -10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.631 -8.754 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.885 -9.229 -10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.388 -7.692 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 22 6.954 -6.931 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.249 -9.049 -11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.544 -8.846 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.054 -6.673 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.557 -7.511 -14.587 1.00 0.00 H new ATOM 337 N GLY A 23 8.830 -4.941 -6.756 1.00 0.00 N ATOM 338 CA GLY A 23 8.889 -3.612 -6.091 1.00 0.00 C ATOM 339 C GLY A 23 7.688 -2.790 -6.550 1.00 0.00 C ATOM 340 O GLY A 23 7.140 -3.024 -7.608 1.00 0.00 O ATOM 0 H GLY A 23 8.528 -5.713 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.876 -3.729 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.818 -3.101 -6.346 1.00 0.00 H new ATOM 344 N PHE A 24 7.259 -1.837 -5.770 1.00 0.00 N ATOM 345 CA PHE A 24 6.084 -1.029 -6.184 1.00 0.00 C ATOM 346 C PHE A 24 6.096 0.325 -5.485 1.00 0.00 C ATOM 347 O PHE A 24 6.899 0.587 -4.610 1.00 0.00 O ATOM 348 CB PHE A 24 4.809 -1.781 -5.815 1.00 0.00 C ATOM 349 CG PHE A 24 4.653 -1.832 -4.311 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.223 -2.884 -3.585 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.933 -0.832 -3.643 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.071 -2.939 -2.195 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.783 -0.888 -2.252 1.00 0.00 C ATOM 354 CZ PHE A 24 4.350 -1.942 -1.530 1.00 0.00 C ATOM 0 H PHE A 24 7.669 -1.586 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 24 6.124 -0.866 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.945 -1.289 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.844 -2.793 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.780 -3.654 -4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.494 -0.018 -4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.511 -3.752 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.229 -0.117 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.231 -1.987 -0.457 1.00 0.00 H new ATOM 364 N PHE A 25 5.196 1.181 -5.877 1.00 0.00 N ATOM 365 CA PHE A 25 5.099 2.540 -5.270 1.00 0.00 C ATOM 366 C PHE A 25 3.734 2.697 -4.606 1.00 0.00 C ATOM 367 O PHE A 25 2.715 2.372 -5.182 1.00 0.00 O ATOM 368 CB PHE A 25 5.232 3.591 -6.376 1.00 0.00 C ATOM 369 CG PHE A 25 4.262 3.269 -7.493 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.928 3.701 -7.416 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.694 2.533 -8.602 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.031 3.394 -8.450 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.798 2.228 -9.634 1.00 0.00 C ATOM 374 CZ PHE A 25 2.467 2.658 -9.558 1.00 0.00 C ATOM 0 H PHE A 25 4.509 0.994 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 25 5.890 2.670 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.027 4.584 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.253 3.606 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.593 4.269 -6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.720 2.200 -8.662 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.005 3.725 -8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.134 1.661 -10.490 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.777 2.422 -10.355 1.00 0.00 H new ATOM 384 N TYR A 26 3.694 3.207 -3.408 1.00 0.00 N ATOM 385 CA TYR A 26 2.378 3.395 -2.747 1.00 0.00 C ATOM 386 C TYR A 26 1.685 4.574 -3.421 1.00 0.00 C ATOM 387 O TYR A 26 2.273 5.266 -4.228 1.00 0.00 O ATOM 388 CB TYR A 26 2.555 3.678 -1.248 1.00 0.00 C ATOM 389 CG TYR A 26 1.269 3.344 -0.519 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.847 2.013 -0.436 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.496 4.359 0.066 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.341 1.698 0.233 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.691 4.038 0.735 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.109 2.709 0.818 1.00 0.00 C ATOM 395 OH TYR A 26 -2.279 2.393 1.477 1.00 0.00 O ATOM 0 H TYR A 26 4.506 3.498 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 26 1.781 2.488 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.377 3.084 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.813 4.725 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.437 1.229 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.817 5.388 -0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.666 0.670 0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.284 4.819 1.187 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.689 3.212 1.826 1.00 0.00 H new ATOM 405 N THR A 27 0.447 4.808 -3.119 1.00 0.00 N ATOM 406 CA THR A 27 -0.252 5.939 -3.774 1.00 0.00 C ATOM 407 C THR A 27 0.408 7.261 -3.365 1.00 0.00 C ATOM 408 O THR A 27 1.321 7.288 -2.564 1.00 0.00 O ATOM 409 CB THR A 27 -1.729 5.924 -3.384 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.393 6.958 -4.072 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.899 6.108 -1.871 1.00 0.00 C ATOM 0 H THR A 27 -0.109 4.271 -2.453 1.00 0.00 H new ATOM 0 HA THR A 27 -0.179 5.839 -4.857 1.00 0.00 H new ATOM 0 HB THR A 27 -2.158 4.959 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.315 7.028 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.960 6.094 -1.620 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.391 5.299 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.468 7.063 -1.570 1.00 0.00 H new ATOM 419 N ASP A 28 -0.030 8.352 -3.936 1.00 0.00 N ATOM 420 CA ASP A 28 0.585 9.676 -3.617 1.00 0.00 C ATOM 421 C ASP A 28 0.815 9.804 -2.082 1.00 0.00 C ATOM 422 O ASP A 28 0.088 9.207 -1.314 1.00 0.00 O ATOM 423 CB ASP A 28 -0.366 10.793 -4.119 1.00 0.00 C ATOM 424 CG ASP A 28 0.388 11.789 -5.015 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.186 11.343 -5.822 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.151 12.977 -4.876 1.00 0.00 O ATOM 0 H ASP A 28 -0.792 8.384 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 28 1.552 9.768 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.193 10.351 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.799 11.318 -3.268 1.00 0.00 H new ATOM 431 N PRO A 29 1.811 10.582 -1.670 1.00 0.00 N ATOM 432 CA PRO A 29 2.108 10.783 -0.230 1.00 0.00 C ATOM 433 C PRO A 29 1.121 11.795 0.382 1.00 0.00 C ATOM 434 O PRO A 29 1.141 12.054 1.569 1.00 0.00 O ATOM 435 CB PRO A 29 3.526 11.384 -0.226 1.00 0.00 C ATOM 436 CG PRO A 29 3.741 12.000 -1.629 1.00 0.00 C ATOM 437 CD PRO A 29 2.737 11.311 -2.574 1.00 0.00 C ATOM 0 HA PRO A 29 2.027 9.861 0.347 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.625 12.142 0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.273 10.617 -0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.576 13.077 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.764 11.841 -1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.203 12.039 -3.185 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.241 10.629 -3.259 1.00 0.00 H new ATOM 445 N THR A 30 0.301 12.403 -0.427 1.00 0.00 N ATOM 446 CA THR A 30 -0.641 13.438 0.093 1.00 0.00 C ATOM 447 C THR A 30 -1.477 12.895 1.257 1.00 0.00 C ATOM 448 O THR A 30 -1.705 13.582 2.232 1.00 0.00 O ATOM 449 CB THR A 30 -1.563 13.884 -1.042 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.413 12.807 -1.412 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.714 14.307 -2.244 1.00 0.00 C ATOM 0 H THR A 30 0.240 12.229 -1.430 1.00 0.00 H new ATOM 0 HA THR A 30 -0.062 14.284 0.464 1.00 0.00 H new ATOM 0 HB THR A 30 -2.172 14.726 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.006 13.093 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.367 14.626 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.062 15.132 -1.957 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.107 13.464 -2.576 1.00 0.00 H new ATOM 459 N GLY A 31 -1.930 11.679 1.179 1.00 0.00 N ATOM 460 CA GLY A 31 -2.742 11.123 2.304 1.00 0.00 C ATOM 461 C GLY A 31 -4.095 11.841 2.388 1.00 0.00 C ATOM 462 O GLY A 31 -5.012 11.373 3.034 1.00 0.00 O ATOM 0 H GLY A 31 -1.778 11.046 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.898 10.054 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.202 11.239 3.244 1.00 0.00 H new ATOM 466 N GLY A 32 -4.234 12.973 1.743 1.00 0.00 N ATOM 467 CA GLY A 32 -5.535 13.716 1.792 1.00 0.00 C ATOM 468 C GLY A 32 -6.387 13.325 0.587 1.00 0.00 C ATOM 469 O GLY A 32 -7.600 13.279 0.652 1.00 0.00 O ATOM 0 H GLY A 32 -3.504 13.416 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.064 13.484 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.353 14.791 1.790 1.00 0.00 H new ATOM 473 N GLY A 33 -5.753 13.025 -0.504 1.00 0.00 N ATOM 474 CA GLY A 33 -6.493 12.612 -1.724 1.00 0.00 C ATOM 475 C GLY A 33 -5.502 11.999 -2.720 1.00 0.00 C ATOM 476 O GLY A 33 -5.434 12.424 -3.856 1.00 0.00 O ATOM 0 H GLY A 33 -4.738 13.048 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.267 11.889 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.994 13.471 -2.170 1.00 0.00 H new ATOM 480 N PRO A 34 -4.750 11.018 -2.265 1.00 0.00 N ATOM 481 CA PRO A 34 -3.746 10.344 -3.111 1.00 0.00 C ATOM 482 C PRO A 34 -4.448 9.492 -4.178 1.00 0.00 C ATOM 483 O PRO A 34 -5.655 9.520 -4.310 1.00 0.00 O ATOM 484 CB PRO A 34 -2.968 9.459 -2.124 1.00 0.00 C ATOM 485 CG PRO A 34 -3.870 9.283 -0.886 1.00 0.00 C ATOM 486 CD PRO A 34 -4.825 10.486 -0.879 1.00 0.00 C ATOM 0 HA PRO A 34 -3.097 11.037 -3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.732 8.494 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.021 9.924 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.424 8.346 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.276 9.252 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.841 10.187 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.518 11.234 -0.148 1.00 0.00 H new ATOM 494 N ARG A 35 -3.702 8.726 -4.932 1.00 0.00 N ATOM 495 CA ARG A 35 -4.333 7.869 -5.972 1.00 0.00 C ATOM 496 C ARG A 35 -5.358 6.961 -5.292 1.00 0.00 C ATOM 497 O ARG A 35 -5.064 5.840 -4.926 1.00 0.00 O ATOM 498 CB ARG A 35 -3.254 7.012 -6.665 1.00 0.00 C ATOM 499 CG ARG A 35 -3.736 6.570 -8.052 1.00 0.00 C ATOM 500 CD ARG A 35 -2.743 5.554 -8.645 1.00 0.00 C ATOM 501 NE ARG A 35 -2.783 5.621 -10.141 1.00 0.00 N ATOM 502 CZ ARG A 35 -3.914 5.562 -10.795 1.00 0.00 C ATOM 503 NH1 ARG A 35 -5.020 5.247 -10.180 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.925 5.761 -12.085 1.00 0.00 N ATOM 0 H ARG A 35 -2.686 8.659 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.823 8.489 -6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.330 7.583 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.027 6.137 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.728 6.124 -7.978 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.824 7.434 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.735 5.766 -8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.994 4.548 -8.310 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.910 5.715 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.008 5.044 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.897 5.204 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.055 5.961 -12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.804 5.716 -12.600 1.00 0.00 H new ATOM 518 N ARG A 36 -6.558 7.432 -5.114 1.00 0.00 N ATOM 519 CA ARG A 36 -7.583 6.584 -4.456 1.00 0.00 C ATOM 520 C ARG A 36 -7.756 5.316 -5.282 1.00 0.00 C ATOM 521 O ARG A 36 -8.079 4.266 -4.768 1.00 0.00 O ATOM 522 CB ARG A 36 -8.912 7.341 -4.391 1.00 0.00 C ATOM 523 CG ARG A 36 -8.663 8.773 -3.909 1.00 0.00 C ATOM 524 CD ARG A 36 -9.997 9.445 -3.577 1.00 0.00 C ATOM 525 NE ARG A 36 -10.998 9.163 -4.660 1.00 0.00 N ATOM 526 CZ ARG A 36 -10.765 9.472 -5.908 1.00 0.00 C ATOM 527 NH1 ARG A 36 -9.727 10.195 -6.230 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.604 9.098 -6.835 1.00 0.00 N ATOM 0 H ARG A 36 -6.871 8.362 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.270 6.333 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.383 7.354 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.599 6.833 -3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.020 8.764 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.141 9.341 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.370 9.078 -2.621 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.856 10.521 -3.472 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.883 8.719 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.090 10.524 -5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.553 10.431 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.438 8.567 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.426 9.337 -7.810 1.00 0.00 H new ATOM 542 N GLY A 37 -7.534 5.416 -6.564 1.00 0.00 N ATOM 543 CA GLY A 37 -7.679 4.234 -7.460 1.00 0.00 C ATOM 544 C GLY A 37 -7.107 2.981 -6.794 1.00 0.00 C ATOM 545 O GLY A 37 -7.486 1.879 -7.127 1.00 0.00 O ATOM 0 H GLY A 37 -7.255 6.277 -7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.731 4.078 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.163 4.419 -8.402 1.00 0.00 H new ATOM 549 N ILE A 38 -6.194 3.133 -5.859 1.00 0.00 N ATOM 550 CA ILE A 38 -5.609 1.932 -5.172 1.00 0.00 C ATOM 551 C ILE A 38 -6.241 1.764 -3.777 1.00 0.00 C ATOM 552 O ILE A 38 -6.739 0.710 -3.434 1.00 0.00 O ATOM 553 CB ILE A 38 -4.053 2.085 -5.086 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.333 0.742 -5.385 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.579 2.608 -3.714 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.055 -0.463 -4.753 1.00 0.00 C ATOM 0 H ILE A 38 -5.830 4.032 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.831 1.032 -5.746 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.790 2.822 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.269 0.599 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.311 0.789 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.492 2.694 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.021 3.587 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.889 1.914 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.512 -1.378 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.096 -0.336 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.068 -0.529 -5.149 1.00 0.00 H new ATOM 568 N VAL A 39 -6.173 2.777 -2.955 1.00 0.00 N ATOM 569 CA VAL A 39 -6.707 2.651 -1.568 1.00 0.00 C ATOM 570 C VAL A 39 -8.214 2.386 -1.554 1.00 0.00 C ATOM 571 O VAL A 39 -8.653 1.358 -1.089 1.00 0.00 O ATOM 572 CB VAL A 39 -6.414 3.936 -0.784 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.617 3.665 0.709 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.964 4.390 -1.037 1.00 0.00 C ATOM 0 H VAL A 39 -5.771 3.686 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.211 1.799 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.091 4.725 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.411 4.573 1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.646 3.353 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.938 2.875 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.766 5.303 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.276 3.609 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.823 4.580 -2.101 1.00 0.00 H new ATOM 584 N GLU A 40 -9.016 3.301 -2.023 1.00 0.00 N ATOM 585 CA GLU A 40 -10.491 3.074 -1.980 1.00 0.00 C ATOM 586 C GLU A 40 -10.870 1.821 -2.776 1.00 0.00 C ATOM 587 O GLU A 40 -11.726 1.060 -2.372 1.00 0.00 O ATOM 588 CB GLU A 40 -11.226 4.311 -2.522 1.00 0.00 C ATOM 589 CG GLU A 40 -11.236 4.314 -4.058 1.00 0.00 C ATOM 590 CD GLU A 40 -12.386 3.445 -4.583 1.00 0.00 C ATOM 591 OE1 GLU A 40 -13.448 3.474 -3.982 1.00 0.00 O ATOM 592 OE2 GLU A 40 -12.184 2.768 -5.577 1.00 0.00 O ATOM 0 H GLU A 40 -8.720 4.188 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.793 2.915 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.250 4.324 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.742 5.216 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.344 5.334 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.285 3.938 -4.436 1.00 0.00 H new ATOM 599 N GLN A 41 -10.251 1.595 -3.899 1.00 0.00 N ATOM 600 CA GLN A 41 -10.598 0.388 -4.699 1.00 0.00 C ATOM 601 C GLN A 41 -10.546 -0.847 -3.805 1.00 0.00 C ATOM 602 O GLN A 41 -11.503 -1.585 -3.688 1.00 0.00 O ATOM 603 CB GLN A 41 -9.597 0.225 -5.846 1.00 0.00 C ATOM 604 CG GLN A 41 -10.080 -0.874 -6.794 1.00 0.00 C ATOM 605 CD GLN A 41 -9.225 -0.873 -8.053 1.00 0.00 C ATOM 606 OE1 GLN A 41 -9.811 -0.991 -9.208 1.00 0.00 O flip ATOM 607 NE2 GLN A 41 -8.017 -0.765 -7.987 1.00 0.00 N flip ATOM 0 H GLN A 41 -9.524 2.189 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.602 0.503 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.491 1.166 -6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.613 -0.028 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.020 -1.845 -6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.126 -0.712 -7.053 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.562 -0.673 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.457 -0.767 -8.840 1.00 0.00 H new ATOM 616 N CYS A 42 -9.427 -1.085 -3.185 1.00 0.00 N ATOM 617 CA CYS A 42 -9.293 -2.280 -2.309 1.00 0.00 C ATOM 618 C CYS A 42 -9.806 -1.985 -0.891 1.00 0.00 C ATOM 619 O CYS A 42 -10.229 -2.878 -0.185 1.00 0.00 O ATOM 620 CB CYS A 42 -7.822 -2.685 -2.261 1.00 0.00 C ATOM 621 SG CYS A 42 -7.245 -3.026 -3.940 1.00 0.00 S ATOM 0 H CYS A 42 -8.594 -0.500 -3.247 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.894 -3.093 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.227 -1.888 -1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.696 -3.567 -1.634 1.00 0.00 H new ATOM 626 N CYS A 43 -9.775 -0.748 -0.459 1.00 0.00 N ATOM 627 CA CYS A 43 -10.266 -0.432 0.919 1.00 0.00 C ATOM 628 C CYS A 43 -11.783 -0.253 0.896 1.00 0.00 C ATOM 629 O CYS A 43 -12.502 -0.866 1.660 1.00 0.00 O ATOM 630 CB CYS A 43 -9.607 0.853 1.435 1.00 0.00 C ATOM 631 SG CYS A 43 -10.098 1.134 3.155 1.00 0.00 S ATOM 0 H CYS A 43 -9.434 0.050 -0.995 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.005 -1.256 1.583 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.522 0.772 1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.905 1.700 0.817 1.00 0.00 H new ATOM 636 N HIS A 44 -12.278 0.584 0.026 1.00 0.00 N ATOM 637 CA HIS A 44 -13.749 0.800 -0.040 1.00 0.00 C ATOM 638 C HIS A 44 -14.415 -0.457 -0.601 1.00 0.00 C ATOM 639 O HIS A 44 -15.563 -0.741 -0.319 1.00 0.00 O ATOM 640 CB HIS A 44 -14.053 1.996 -0.949 1.00 0.00 C ATOM 641 CG HIS A 44 -15.457 2.477 -0.701 1.00 0.00 C ATOM 642 ND1 HIS A 44 -15.725 3.692 -0.084 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.681 1.918 -0.977 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.063 3.823 -0.009 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.687 2.771 -0.539 1.00 0.00 N ATOM 0 H HIS A 44 -11.728 1.126 -0.640 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.136 1.004 0.959 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.343 2.801 -0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.935 1.710 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.837 0.964 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.567 4.673 0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -18.694 2.623 -0.609 1.00 0.00 H new ATOM 653 N SER A 45 -13.698 -1.214 -1.394 1.00 0.00 N ATOM 654 CA SER A 45 -14.276 -2.464 -1.981 1.00 0.00 C ATOM 655 C SER A 45 -13.237 -3.587 -1.892 1.00 0.00 C ATOM 656 O SER A 45 -12.057 -3.346 -1.736 1.00 0.00 O ATOM 657 CB SER A 45 -14.658 -2.211 -3.449 1.00 0.00 C ATOM 658 OG SER A 45 -13.812 -1.204 -3.986 1.00 0.00 O ATOM 0 H SER A 45 -12.733 -1.020 -1.662 1.00 0.00 H new ATOM 0 HA SER A 45 -15.169 -2.756 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.560 -3.130 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.701 -1.901 -3.517 1.00 0.00 H new ATOM 0 HG SER A 45 -12.927 -1.584 -4.170 1.00 0.00 H new ATOM 664 N ILE A 46 -13.675 -4.811 -1.987 1.00 0.00 N ATOM 665 CA ILE A 46 -12.731 -5.959 -1.907 1.00 0.00 C ATOM 666 C ILE A 46 -12.134 -6.209 -3.297 1.00 0.00 C ATOM 667 O ILE A 46 -12.753 -6.822 -4.145 1.00 0.00 O ATOM 668 CB ILE A 46 -13.489 -7.219 -1.437 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.510 -6.878 -0.324 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.495 -8.255 -0.910 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.807 -6.591 1.014 1.00 0.00 C ATOM 0 H ILE A 46 -14.654 -5.067 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.935 -5.734 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 46 -14.031 -7.623 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.098 -6.010 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.206 -7.707 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.035 -9.142 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.799 -8.528 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.941 -7.834 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.552 -6.355 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.240 -7.469 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.130 -5.745 0.895 1.00 0.00 H new ATOM 683 N CYS A 47 -10.938 -5.739 -3.542 1.00 0.00 N ATOM 684 CA CYS A 47 -10.307 -5.950 -4.881 1.00 0.00 C ATOM 685 C CYS A 47 -9.500 -7.250 -4.874 1.00 0.00 C ATOM 686 O CYS A 47 -9.188 -7.795 -3.833 1.00 0.00 O ATOM 687 CB CYS A 47 -9.378 -4.771 -5.203 1.00 0.00 C ATOM 688 SG CYS A 47 -7.830 -4.929 -4.273 1.00 0.00 S ATOM 0 H CYS A 47 -10.370 -5.218 -2.873 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.087 -6.015 -5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.168 -4.744 -6.272 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.869 -3.831 -4.951 1.00 0.00 H new ATOM 693 N SER A 48 -9.151 -7.745 -6.032 1.00 0.00 N ATOM 694 CA SER A 48 -8.353 -9.005 -6.109 1.00 0.00 C ATOM 695 C SER A 48 -6.874 -8.649 -6.268 1.00 0.00 C ATOM 696 O SER A 48 -6.523 -7.523 -6.559 1.00 0.00 O ATOM 697 CB SER A 48 -8.816 -9.830 -7.315 1.00 0.00 C ATOM 698 OG SER A 48 -9.127 -8.954 -8.391 1.00 0.00 O ATOM 0 H SER A 48 -9.386 -7.329 -6.933 1.00 0.00 H new ATOM 0 HA SER A 48 -8.495 -9.588 -5.199 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.035 -10.529 -7.614 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.691 -10.424 -7.050 1.00 0.00 H new ATOM 0 HG SER A 48 -9.422 -9.478 -9.165 1.00 0.00 H new ATOM 704 N LEU A 49 -6.006 -9.603 -6.088 1.00 0.00 N ATOM 705 CA LEU A 49 -4.553 -9.321 -6.239 1.00 0.00 C ATOM 706 C LEU A 49 -4.316 -8.779 -7.642 1.00 0.00 C ATOM 707 O LEU A 49 -3.477 -7.931 -7.869 1.00 0.00 O ATOM 708 CB LEU A 49 -3.750 -10.612 -6.049 1.00 0.00 C ATOM 709 CG LEU A 49 -4.169 -11.324 -4.751 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.121 -12.375 -4.378 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.264 -10.324 -3.600 1.00 0.00 C ATOM 0 H LEU A 49 -6.239 -10.565 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.234 -8.595 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.908 -11.274 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.685 -10.383 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.140 -11.791 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.421 -12.877 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.038 -13.107 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.156 -11.890 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.561 -10.844 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.294 -9.852 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.005 -9.562 -3.841 1.00 0.00 H new ATOM 723 N TYR A 50 -5.071 -9.266 -8.580 1.00 0.00 N ATOM 724 CA TYR A 50 -4.951 -8.814 -9.979 1.00 0.00 C ATOM 725 C TYR A 50 -4.830 -7.296 -10.028 1.00 0.00 C ATOM 726 O TYR A 50 -3.879 -6.745 -10.545 1.00 0.00 O ATOM 727 CB TYR A 50 -6.228 -9.249 -10.699 1.00 0.00 C ATOM 728 CG TYR A 50 -5.959 -9.384 -12.158 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.387 -10.555 -12.625 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.280 -8.347 -13.028 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.126 -10.707 -13.989 1.00 0.00 C ATOM 732 CE2 TYR A 50 -6.024 -8.487 -14.395 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.446 -9.671 -14.879 1.00 0.00 C ATOM 734 OH TYR A 50 -5.192 -9.815 -16.227 1.00 0.00 O ATOM 0 H TYR A 50 -5.785 -9.978 -8.426 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.066 -9.243 -10.450 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.580 -10.198 -10.295 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.019 -8.518 -10.531 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.143 -11.350 -11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.725 -7.439 -12.649 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.679 -11.619 -14.357 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.270 -7.686 -15.077 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.475 -9.005 -16.701 1.00 0.00 H new ATOM 744 N GLN A 51 -5.799 -6.628 -9.489 1.00 0.00 N ATOM 745 CA GLN A 51 -5.771 -5.141 -9.493 1.00 0.00 C ATOM 746 C GLN A 51 -4.529 -4.668 -8.755 1.00 0.00 C ATOM 747 O GLN A 51 -3.843 -3.763 -9.187 1.00 0.00 O ATOM 748 CB GLN A 51 -7.021 -4.604 -8.800 1.00 0.00 C ATOM 749 CG GLN A 51 -8.235 -5.421 -9.254 1.00 0.00 C ATOM 750 CD GLN A 51 -9.519 -4.699 -8.857 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.690 -3.465 -9.228 1.00 0.00 O flip ATOM 752 NE2 GLN A 51 -10.376 -5.265 -8.207 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.616 -7.045 -9.042 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.749 -4.774 -10.519 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.908 -4.668 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.163 -3.551 -9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.206 -5.564 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.209 -6.412 -8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.240 -6.233 -7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.231 -4.772 -7.952 1.00 0.00 H new ATOM 761 N LEU A 52 -4.223 -5.282 -7.652 1.00 0.00 N ATOM 762 CA LEU A 52 -3.014 -4.870 -6.909 1.00 0.00 C ATOM 763 C LEU A 52 -1.810 -5.114 -7.803 1.00 0.00 C ATOM 764 O LEU A 52 -0.827 -4.401 -7.763 1.00 0.00 O ATOM 765 CB LEU A 52 -2.890 -5.690 -5.629 1.00 0.00 C ATOM 766 CG LEU A 52 -4.074 -5.387 -4.700 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.905 -6.190 -3.424 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.116 -3.890 -4.350 1.00 0.00 C ATOM 0 H LEU A 52 -4.756 -6.046 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.074 -3.816 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.867 -6.753 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.952 -5.456 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.003 -5.655 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.739 -5.986 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.884 -7.253 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.971 -5.909 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.962 -3.694 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.191 -3.608 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.225 -3.306 -5.264 1.00 0.00 H new ATOM 780 N GLU A 53 -1.895 -6.120 -8.623 1.00 0.00 N ATOM 781 CA GLU A 53 -0.782 -6.436 -9.549 1.00 0.00 C ATOM 782 C GLU A 53 -0.724 -5.331 -10.607 1.00 0.00 C ATOM 783 O GLU A 53 0.195 -5.247 -11.397 1.00 0.00 O ATOM 784 CB GLU A 53 -1.050 -7.823 -10.195 1.00 0.00 C ATOM 785 CG GLU A 53 0.189 -8.742 -10.091 1.00 0.00 C ATOM 786 CD GLU A 53 0.169 -9.777 -11.222 1.00 0.00 C ATOM 787 OE1 GLU A 53 0.486 -9.409 -12.341 1.00 0.00 O ATOM 788 OE2 GLU A 53 -0.163 -10.919 -10.948 1.00 0.00 O ATOM 0 H GLU A 53 -2.699 -6.743 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 53 0.175 -6.481 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.899 -8.297 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.321 -7.692 -11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.100 -8.146 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.198 -9.247 -9.125 1.00 0.00 H new ATOM 795 N ASN A 54 -1.715 -4.486 -10.615 1.00 0.00 N ATOM 796 CA ASN A 54 -1.761 -3.377 -11.603 1.00 0.00 C ATOM 797 C ASN A 54 -0.783 -2.275 -11.186 1.00 0.00 C ATOM 798 O ASN A 54 -0.272 -1.543 -12.010 1.00 0.00 O ATOM 799 CB ASN A 54 -3.192 -2.817 -11.644 1.00 0.00 C ATOM 800 CG ASN A 54 -3.435 -2.086 -12.964 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.508 -1.622 -13.599 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.657 -1.964 -13.405 1.00 0.00 N ATOM 0 H ASN A 54 -2.505 -4.518 -9.970 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.478 -3.743 -12.590 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.911 -3.628 -11.531 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.348 -2.135 -10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.836 -1.479 -14.284 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.433 -2.354 -12.871 1.00 0.00 H new ATOM 809 N TYR A 55 -0.525 -2.148 -9.909 1.00 0.00 N ATOM 810 CA TYR A 55 0.412 -1.087 -9.424 1.00 0.00 C ATOM 811 C TYR A 55 1.779 -1.698 -9.105 1.00 0.00 C ATOM 812 O TYR A 55 2.657 -1.032 -8.594 1.00 0.00 O ATOM 813 CB TYR A 55 -0.171 -0.454 -8.161 1.00 0.00 C ATOM 814 CG TYR A 55 -1.637 -0.198 -8.379 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.555 -1.219 -8.151 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.072 1.053 -8.816 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.925 -0.995 -8.358 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.437 1.284 -9.027 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.365 0.260 -8.797 1.00 0.00 C ATOM 820 OH TYR A 55 -5.710 0.487 -9.007 1.00 0.00 O ATOM 0 H TYR A 55 -0.925 -2.736 -9.177 1.00 0.00 H new ATOM 0 HA TYR A 55 0.537 -0.330 -10.199 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.026 -1.115 -7.306 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.345 0.479 -7.934 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.212 -2.186 -7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.357 1.843 -8.992 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.637 -1.787 -8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.774 2.252 -9.367 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.081 0.981 -8.246 1.00 0.00 H new ATOM 830 N CYS A 56 1.976 -2.955 -9.402 1.00 0.00 N ATOM 831 CA CYS A 56 3.299 -3.578 -9.109 1.00 0.00 C ATOM 832 C CYS A 56 4.295 -3.190 -10.204 1.00 0.00 C ATOM 833 O CYS A 56 4.229 -3.675 -11.316 1.00 0.00 O ATOM 834 CB CYS A 56 3.160 -5.099 -9.070 1.00 0.00 C ATOM 835 SG CYS A 56 2.230 -5.595 -7.597 1.00 0.00 S ATOM 0 H CYS A 56 1.286 -3.572 -9.830 1.00 0.00 H new ATOM 0 HA CYS A 56 3.656 -3.224 -8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.651 -5.450 -9.968 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.146 -5.563 -9.061 1.00 0.00 H new ATOM 840 N ASN A 57 5.217 -2.319 -9.899 1.00 0.00 N ATOM 841 CA ASN A 57 6.216 -1.902 -10.923 1.00 0.00 C ATOM 842 C ASN A 57 5.488 -1.483 -12.203 1.00 0.00 C ATOM 843 O ASN A 57 5.355 -2.316 -13.085 1.00 0.00 O ATOM 844 CB ASN A 57 7.154 -3.072 -11.229 1.00 0.00 C ATOM 845 CG ASN A 57 8.095 -2.689 -12.371 1.00 0.00 C ATOM 846 OD1 ASN A 57 7.759 -2.840 -13.529 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.271 -2.196 -12.093 1.00 0.00 N ATOM 848 OXT ASN A 57 5.075 -0.338 -12.279 1.00 0.00 O ATOM 0 H ASN A 57 5.322 -1.878 -8.985 1.00 0.00 H new ATOM 0 HA ASN A 57 6.797 -1.062 -10.543 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.730 -3.331 -10.341 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.575 -3.954 -11.502 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.907 -1.938 -12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.554 -2.069 -11.121 1.00 0.00 H new TER 855 ASN A 57