USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 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 : amide:sc= -3.38! K(o=-7.8!,f=-3.9) USER MOD Set 1.2: A 51 GLN : amide:sc= -5.01! K(o=-7.8!,f=-3.9) USER MOD Set 1.3: A 55 TYR OH : rot 22:sc= 0.628 USER MOD Set 2.1: A 1 PHE N :NH3+ -157:sc= -7.09! (180deg=-0.321) USER MOD Set 2.2: A 4 GLN : amide:sc= -6.09! C(o=-13!,f=-3.7!) USER MOD Single : A 3 ASN : amide:sc= -1.04 K(o=-1,f=-3.8!) USER MOD Single : A 5 HIS : no HD1:sc= 0.02 K(o=0.02,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 172:sc= -6.48! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0557 USER MOD Single : A 44 HIS : no HE2:sc= -0.368 K(o=-0.37,f=-5.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -92:sc= 0.0533 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0339 X(o=-0.034,f=-0.25!) USER MOD Single : A 57 ASN : amide:sc= -0.724 K(o=-0.72,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.815 -12.333 2.860 1.00 0.00 N ATOM 2 CA PHE A 1 -5.570 -11.547 1.617 1.00 0.00 C ATOM 3 C PHE A 1 -6.451 -12.110 0.499 1.00 0.00 C ATOM 4 O PHE A 1 -6.097 -12.073 -0.663 1.00 0.00 O ATOM 5 CB PHE A 1 -4.090 -11.685 1.230 1.00 0.00 C ATOM 6 CG PHE A 1 -3.613 -10.604 0.286 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.493 -9.739 -0.378 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.239 -10.479 0.081 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.987 -8.768 -1.235 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.737 -9.506 -0.773 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.607 -8.649 -1.432 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.553 -11.762 3.689 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.822 -12.586 2.918 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.241 -13.200 2.841 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.809 -10.495 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.482 -11.662 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.933 -12.658 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.559 -9.826 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.559 -11.145 0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.663 -8.102 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.671 -9.416 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.219 -7.891 -2.096 1.00 0.00 H new ATOM 23 N VAL A 2 -7.587 -12.655 0.848 1.00 0.00 N ATOM 24 CA VAL A 2 -8.494 -13.254 -0.179 1.00 0.00 C ATOM 25 C VAL A 2 -9.659 -12.302 -0.493 1.00 0.00 C ATOM 26 O VAL A 2 -9.566 -11.459 -1.363 1.00 0.00 O ATOM 27 CB VAL A 2 -9.041 -14.575 0.389 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.040 -15.707 0.129 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.258 -14.432 1.907 1.00 0.00 C ATOM 0 H VAL A 2 -7.929 -12.712 1.807 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.944 -13.429 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.988 -14.808 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.433 -16.640 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.883 -15.814 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.092 -15.472 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.646 -15.368 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.310 -14.195 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.973 -13.631 2.099 1.00 0.00 H new ATOM 39 N ASN A 3 -10.758 -12.443 0.204 1.00 0.00 N ATOM 40 CA ASN A 3 -11.949 -11.569 -0.047 1.00 0.00 C ATOM 41 C ASN A 3 -12.031 -10.479 1.019 1.00 0.00 C ATOM 42 O ASN A 3 -13.094 -9.974 1.323 1.00 0.00 O ATOM 43 CB ASN A 3 -13.226 -12.413 -0.003 1.00 0.00 C ATOM 44 CG ASN A 3 -13.043 -13.670 -0.852 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.262 -14.537 -0.516 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.740 -13.807 -1.943 1.00 0.00 N ATOM 0 H ASN A 3 -10.884 -13.133 0.944 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.847 -11.107 -1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.456 -12.688 1.026 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.070 -11.832 -0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.630 -14.643 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.396 -13.078 -2.224 1.00 0.00 H new ATOM 53 N GLN A 4 -10.922 -10.119 1.598 1.00 0.00 N ATOM 54 CA GLN A 4 -10.927 -9.069 2.660 1.00 0.00 C ATOM 55 C GLN A 4 -10.596 -7.706 2.041 1.00 0.00 C ATOM 56 O GLN A 4 -10.057 -7.613 0.956 1.00 0.00 O ATOM 57 CB GLN A 4 -9.891 -9.433 3.741 1.00 0.00 C ATOM 58 CG GLN A 4 -8.747 -10.252 3.126 1.00 0.00 C ATOM 59 CD GLN A 4 -7.709 -10.571 4.201 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.060 -9.686 4.721 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.527 -11.814 4.558 1.00 0.00 N ATOM 0 H GLN A 4 -10.004 -10.508 1.382 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.915 -9.013 3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.494 -8.525 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.370 -10.004 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.137 -11.175 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.283 -9.694 2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.073 -12.556 4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.839 -12.043 5.275 1.00 0.00 H new ATOM 70 N HIS A 5 -10.943 -6.650 2.726 1.00 0.00 N ATOM 71 CA HIS A 5 -10.688 -5.276 2.200 1.00 0.00 C ATOM 72 C HIS A 5 -9.333 -4.754 2.693 1.00 0.00 C ATOM 73 O HIS A 5 -8.997 -4.858 3.856 1.00 0.00 O ATOM 74 CB HIS A 5 -11.801 -4.344 2.696 1.00 0.00 C ATOM 75 CG HIS A 5 -12.161 -4.706 4.110 1.00 0.00 C ATOM 76 ND1 HIS A 5 -13.019 -5.757 4.408 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.790 -4.170 5.319 1.00 0.00 C ATOM 78 CE1 HIS A 5 -13.134 -5.819 5.748 1.00 0.00 C ATOM 79 NE2 HIS A 5 -12.406 -4.876 6.345 1.00 0.00 N ATOM 0 H HIS A 5 -11.398 -6.680 3.639 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.674 -5.306 1.111 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.470 -3.306 2.647 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.677 -4.430 2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.123 -3.331 5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.740 -6.542 6.273 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.319 -4.707 7.347 1.00 0.00 H new ATOM 87 N LEU A 6 -8.563 -4.177 1.808 1.00 0.00 N ATOM 88 CA LEU A 6 -7.233 -3.618 2.196 1.00 0.00 C ATOM 89 C LEU A 6 -7.386 -2.109 2.407 1.00 0.00 C ATOM 90 O LEU A 6 -7.926 -1.410 1.574 1.00 0.00 O ATOM 91 CB LEU A 6 -6.221 -3.870 1.060 1.00 0.00 C ATOM 92 CG LEU A 6 -5.449 -5.199 1.249 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.321 -6.297 1.875 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.959 -5.680 -0.119 1.00 0.00 C ATOM 0 H LEU A 6 -8.801 -4.068 0.822 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.878 -4.095 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.746 -3.890 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.512 -3.043 1.017 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.617 -5.008 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.734 -7.209 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.672 -5.969 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.177 -6.494 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.413 -6.616 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.814 -5.839 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.301 -4.928 -0.555 1.00 0.00 H new ATOM 106 N CYS A 7 -6.904 -1.601 3.505 1.00 0.00 N ATOM 107 CA CYS A 7 -7.011 -0.136 3.759 1.00 0.00 C ATOM 108 C CYS A 7 -5.810 0.317 4.596 1.00 0.00 C ATOM 109 O CYS A 7 -5.545 -0.207 5.659 1.00 0.00 O ATOM 110 CB CYS A 7 -8.327 0.150 4.502 1.00 0.00 C ATOM 111 SG CYS A 7 -9.008 1.737 3.949 1.00 0.00 S ATOM 0 H CYS A 7 -6.440 -2.136 4.239 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.011 0.413 2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.043 -0.650 4.314 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.151 0.174 5.577 1.00 0.00 H new ATOM 116 N GLY A 8 -5.086 1.290 4.122 1.00 0.00 N ATOM 117 CA GLY A 8 -3.901 1.778 4.886 1.00 0.00 C ATOM 118 C GLY A 8 -2.777 0.737 4.829 1.00 0.00 C ATOM 119 O GLY A 8 -2.626 0.023 3.857 1.00 0.00 O ATOM 0 H GLY A 8 -5.261 1.770 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.554 2.724 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.179 1.969 5.922 1.00 0.00 H new ATOM 123 N SER A 9 -1.983 0.655 5.864 1.00 0.00 N ATOM 124 CA SER A 9 -0.858 -0.329 5.881 1.00 0.00 C ATOM 125 C SER A 9 -1.337 -1.693 5.377 1.00 0.00 C ATOM 126 O SER A 9 -0.592 -2.428 4.760 1.00 0.00 O ATOM 127 CB SER A 9 -0.334 -0.473 7.310 1.00 0.00 C ATOM 128 OG SER A 9 0.312 0.732 7.697 1.00 0.00 O ATOM 0 H SER A 9 -2.065 1.230 6.703 1.00 0.00 H new ATOM 0 HA SER A 9 -0.063 0.030 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.156 -0.693 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.363 -1.309 7.372 1.00 0.00 H new ATOM 0 HG SER A 9 0.648 0.643 8.613 1.00 0.00 H new ATOM 134 N ASP A 10 -2.572 -2.041 5.626 1.00 0.00 N ATOM 135 CA ASP A 10 -3.081 -3.360 5.150 1.00 0.00 C ATOM 136 C ASP A 10 -2.716 -3.524 3.673 1.00 0.00 C ATOM 137 O ASP A 10 -2.165 -4.527 3.264 1.00 0.00 O ATOM 138 CB ASP A 10 -4.608 -3.403 5.322 1.00 0.00 C ATOM 139 CG ASP A 10 -4.961 -3.840 6.748 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.657 -3.096 7.666 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.527 -4.910 6.895 1.00 0.00 O ATOM 0 H ASP A 10 -3.247 -1.472 6.136 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.634 -4.169 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.033 -2.420 5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.044 -4.095 4.602 1.00 0.00 H new ATOM 146 N LEU A 11 -3.019 -2.542 2.873 1.00 0.00 N ATOM 147 CA LEU A 11 -2.691 -2.630 1.425 1.00 0.00 C ATOM 148 C LEU A 11 -1.186 -2.863 1.253 1.00 0.00 C ATOM 149 O LEU A 11 -0.763 -3.799 0.604 1.00 0.00 O ATOM 150 CB LEU A 11 -3.090 -1.317 0.728 1.00 0.00 C ATOM 151 CG LEU A 11 -2.583 -1.306 -0.721 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.989 -2.586 -1.436 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.191 -0.122 -1.474 1.00 0.00 C ATOM 0 H LEU A 11 -3.481 -1.679 3.161 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.239 -3.460 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.174 -1.205 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.675 -0.468 1.272 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.496 -1.225 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.622 -2.562 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.561 -3.444 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.076 -2.671 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.828 -0.119 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.277 -0.210 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.902 0.808 -0.984 1.00 0.00 H new ATOM 165 N VAL A 12 -0.377 -2.010 1.820 1.00 0.00 N ATOM 166 CA VAL A 12 1.102 -2.168 1.682 1.00 0.00 C ATOM 167 C VAL A 12 1.498 -3.625 1.939 1.00 0.00 C ATOM 168 O VAL A 12 1.963 -4.315 1.054 1.00 0.00 O ATOM 169 CB VAL A 12 1.813 -1.269 2.700 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.322 -1.280 2.434 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.297 0.167 2.573 1.00 0.00 C ATOM 0 H VAL A 12 -0.676 -1.208 2.375 1.00 0.00 H new ATOM 0 HA VAL A 12 1.395 -1.885 0.671 1.00 0.00 H new ATOM 0 HB VAL A 12 1.612 -1.644 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.824 -0.640 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.700 -2.298 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.517 -0.910 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.805 0.802 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.494 0.537 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.224 0.186 2.763 1.00 0.00 H new ATOM 181 N GLU A 13 1.327 -4.095 3.144 1.00 0.00 N ATOM 182 CA GLU A 13 1.705 -5.504 3.453 1.00 0.00 C ATOM 183 C GLU A 13 1.142 -6.428 2.378 1.00 0.00 C ATOM 184 O GLU A 13 1.671 -7.488 2.119 1.00 0.00 O ATOM 185 CB GLU A 13 1.134 -5.900 4.814 1.00 0.00 C ATOM 186 CG GLU A 13 1.596 -4.899 5.874 1.00 0.00 C ATOM 187 CD GLU A 13 0.954 -5.246 7.219 1.00 0.00 C ATOM 188 OE1 GLU A 13 1.404 -6.194 7.841 1.00 0.00 O ATOM 189 OE2 GLU A 13 0.024 -4.557 7.604 1.00 0.00 O ATOM 0 H GLU A 13 0.943 -3.566 3.927 1.00 0.00 H new ATOM 0 HA GLU A 13 2.791 -5.591 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.045 -5.923 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.463 -6.905 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.682 -4.921 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.321 -3.887 5.578 1.00 0.00 H new ATOM 196 N ALA A 14 0.072 -6.032 1.748 1.00 0.00 N ATOM 197 CA ALA A 14 -0.524 -6.887 0.686 1.00 0.00 C ATOM 198 C ALA A 14 0.254 -6.680 -0.620 1.00 0.00 C ATOM 199 O ALA A 14 0.740 -7.622 -1.211 1.00 0.00 O ATOM 200 CB ALA A 14 -2.013 -6.524 0.523 1.00 0.00 C ATOM 0 H ALA A 14 -0.415 -5.153 1.923 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.459 -7.941 0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.456 -7.147 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.534 -6.693 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.103 -5.475 0.242 1.00 0.00 H new ATOM 206 N LEU A 15 0.397 -5.466 -1.081 1.00 0.00 N ATOM 207 CA LEU A 15 1.163 -5.268 -2.343 1.00 0.00 C ATOM 208 C LEU A 15 2.517 -5.975 -2.211 1.00 0.00 C ATOM 209 O LEU A 15 3.055 -6.495 -3.168 1.00 0.00 O ATOM 210 CB LEU A 15 1.411 -3.777 -2.609 1.00 0.00 C ATOM 211 CG LEU A 15 0.134 -3.093 -3.149 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.185 -1.585 -2.863 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.034 -3.285 -4.669 1.00 0.00 C ATOM 0 H LEU A 15 0.025 -4.620 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 15 0.585 -5.679 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.729 -3.287 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.222 -3.662 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.728 -3.543 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.718 -1.111 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.252 -1.421 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.058 -1.151 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.869 -2.799 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.907 -2.843 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.007 -4.350 -4.899 1.00 0.00 H new ATOM 225 N TYR A 16 3.076 -5.985 -1.029 1.00 0.00 N ATOM 226 CA TYR A 16 4.399 -6.643 -0.834 1.00 0.00 C ATOM 227 C TYR A 16 4.380 -8.063 -1.418 1.00 0.00 C ATOM 228 O TYR A 16 5.255 -8.430 -2.173 1.00 0.00 O ATOM 229 CB TYR A 16 4.736 -6.678 0.656 1.00 0.00 C ATOM 230 CG TYR A 16 6.037 -7.419 0.863 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.226 -6.916 0.317 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.057 -8.606 1.600 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.430 -7.603 0.509 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.260 -9.294 1.792 1.00 0.00 C ATOM 235 CZ TYR A 16 8.447 -8.793 1.247 1.00 0.00 C ATOM 236 OH TYR A 16 9.634 -9.470 1.436 1.00 0.00 O ATOM 0 H TYR A 16 2.673 -5.566 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 16 5.166 -6.072 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.818 -5.663 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.935 -7.168 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.213 -5.998 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.142 -8.993 2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.346 -7.215 0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.272 -10.212 2.361 1.00 0.00 H new ATOM 0 HH TYR A 16 9.470 -10.275 1.971 1.00 0.00 H new ATOM 246 N LEU A 17 3.397 -8.865 -1.098 1.00 0.00 N ATOM 247 CA LEU A 17 3.366 -10.243 -1.674 1.00 0.00 C ATOM 248 C LEU A 17 3.100 -10.137 -3.172 1.00 0.00 C ATOM 249 O LEU A 17 3.789 -10.719 -3.987 1.00 0.00 O ATOM 250 CB LEU A 17 2.233 -11.073 -1.063 1.00 0.00 C ATOM 251 CG LEU A 17 2.397 -11.209 0.457 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.086 -9.872 1.154 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.436 -12.300 0.964 1.00 0.00 C ATOM 0 H LEU A 17 2.626 -8.631 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 17 4.321 -10.724 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.275 -10.604 -1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.218 -12.063 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 17 3.427 -11.483 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.207 -9.986 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.770 -9.105 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.060 -9.577 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.543 -12.406 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.410 -12.020 0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.674 -13.248 0.481 1.00 0.00 H new ATOM 265 N VAL A 18 2.089 -9.399 -3.531 1.00 0.00 N ATOM 266 CA VAL A 18 1.739 -9.242 -4.968 1.00 0.00 C ATOM 267 C VAL A 18 2.983 -8.845 -5.762 1.00 0.00 C ATOM 268 O VAL A 18 3.388 -9.520 -6.688 1.00 0.00 O ATOM 269 CB VAL A 18 0.681 -8.141 -5.101 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.220 -8.023 -6.546 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.529 -8.469 -4.230 1.00 0.00 C ATOM 0 H VAL A 18 1.484 -8.893 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 18 1.351 -10.184 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 18 1.127 -7.200 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.531 -7.237 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.071 -7.776 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.211 -8.971 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.275 -7.681 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.959 -9.419 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.218 -8.542 -3.188 1.00 0.00 H new ATOM 281 N CYS A 19 3.576 -7.741 -5.418 1.00 0.00 N ATOM 282 CA CYS A 19 4.778 -7.274 -6.159 1.00 0.00 C ATOM 283 C CYS A 19 5.996 -8.100 -5.748 1.00 0.00 C ATOM 284 O CYS A 19 6.958 -8.220 -6.480 1.00 0.00 O ATOM 285 CB CYS A 19 5.015 -5.804 -5.824 1.00 0.00 C ATOM 286 SG CYS A 19 3.427 -4.937 -5.758 1.00 0.00 S ATOM 0 H CYS A 19 3.279 -7.137 -4.651 1.00 0.00 H new ATOM 0 HA CYS A 19 4.621 -7.392 -7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.529 -5.716 -4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.660 -5.348 -6.575 1.00 0.00 H new ATOM 291 N GLY A 20 5.952 -8.676 -4.587 1.00 0.00 N ATOM 292 CA GLY A 20 7.096 -9.507 -4.121 1.00 0.00 C ATOM 293 C GLY A 20 8.409 -8.731 -4.248 1.00 0.00 C ATOM 294 O GLY A 20 8.568 -7.661 -3.696 1.00 0.00 O ATOM 0 H GLY A 20 5.171 -8.609 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.940 -9.802 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.150 -10.424 -4.708 1.00 0.00 H new ATOM 298 N GLU A 21 9.360 -9.278 -4.957 1.00 0.00 N ATOM 299 CA GLU A 21 10.676 -8.593 -5.109 1.00 0.00 C ATOM 300 C GLU A 21 10.594 -7.503 -6.176 1.00 0.00 C ATOM 301 O GLU A 21 11.447 -6.642 -6.258 1.00 0.00 O ATOM 302 CB GLU A 21 11.728 -9.619 -5.528 1.00 0.00 C ATOM 303 CG GLU A 21 11.945 -10.616 -4.390 1.00 0.00 C ATOM 304 CD GLU A 21 12.954 -11.680 -4.826 1.00 0.00 C ATOM 305 OE1 GLU A 21 13.021 -11.953 -6.013 1.00 0.00 O ATOM 306 OE2 GLU A 21 13.642 -12.203 -3.965 1.00 0.00 O ATOM 0 H GLU A 21 9.281 -10.173 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 21 10.947 -8.137 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.404 -10.142 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.665 -9.118 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.309 -10.097 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.000 -11.086 -4.119 1.00 0.00 H new ATOM 313 N ARG A 22 9.587 -7.531 -7.000 1.00 0.00 N ATOM 314 CA ARG A 22 9.479 -6.493 -8.058 1.00 0.00 C ATOM 315 C ARG A 22 9.499 -5.107 -7.417 1.00 0.00 C ATOM 316 O ARG A 22 9.893 -4.135 -8.032 1.00 0.00 O ATOM 317 CB ARG A 22 8.168 -6.676 -8.823 1.00 0.00 C ATOM 318 CG ARG A 22 8.142 -8.057 -9.498 1.00 0.00 C ATOM 319 CD ARG A 22 6.692 -8.463 -9.832 1.00 0.00 C ATOM 320 NE ARG A 22 6.659 -9.095 -11.181 1.00 0.00 N ATOM 321 CZ ARG A 22 5.615 -9.782 -11.555 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.603 -9.926 -10.743 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.583 -10.326 -12.741 1.00 0.00 N ATOM 0 H ARG A 22 8.838 -8.223 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 22 10.319 -6.590 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.323 -6.579 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.063 -5.893 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.740 -8.035 -10.409 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.592 -8.800 -8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.314 -9.158 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.043 -7.588 -9.811 1.00 0.00 H new ATOM 0 HE ARG A 22 7.453 -8.990 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.629 -9.501 -9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.787 -10.463 -11.036 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.374 -10.214 -13.375 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.767 -10.863 -13.034 1.00 0.00 H new ATOM 337 N GLY A 23 9.066 -5.001 -6.191 1.00 0.00 N ATOM 338 CA GLY A 23 9.053 -3.671 -5.528 1.00 0.00 C ATOM 339 C GLY A 23 7.885 -2.862 -6.086 1.00 0.00 C ATOM 340 O GLY A 23 7.410 -3.121 -7.174 1.00 0.00 O ATOM 0 H GLY A 23 8.722 -5.776 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.952 -3.787 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.994 -3.150 -5.706 1.00 0.00 H new ATOM 344 N PHE A 24 7.402 -1.895 -5.358 1.00 0.00 N ATOM 345 CA PHE A 24 6.256 -1.097 -5.863 1.00 0.00 C ATOM 346 C PHE A 24 6.225 0.270 -5.191 1.00 0.00 C ATOM 347 O PHE A 24 6.973 0.549 -4.274 1.00 0.00 O ATOM 348 CB PHE A 24 4.960 -1.840 -5.556 1.00 0.00 C ATOM 349 CG PHE A 24 4.735 -1.878 -4.061 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.274 -2.921 -3.301 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.983 -0.873 -3.436 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.061 -2.964 -1.919 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.773 -0.917 -2.052 1.00 0.00 C ATOM 354 CZ PHE A 24 4.310 -1.963 -1.296 1.00 0.00 C ATOM 0 H PHE A 24 7.751 -1.625 -4.438 1.00 0.00 H new ATOM 0 HA PHE A 24 6.364 -0.958 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.122 -1.346 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.009 -2.854 -5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.855 -3.694 -3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.566 -0.066 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.477 -3.771 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.196 -0.143 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.144 -1.998 -0.229 1.00 0.00 H new ATOM 364 N PHE A 25 5.350 1.118 -5.652 1.00 0.00 N ATOM 365 CA PHE A 25 5.217 2.488 -5.075 1.00 0.00 C ATOM 366 C PHE A 25 3.828 2.642 -4.461 1.00 0.00 C ATOM 367 O PHE A 25 2.834 2.264 -5.049 1.00 0.00 O ATOM 368 CB PHE A 25 5.381 3.520 -6.195 1.00 0.00 C ATOM 369 CG PHE A 25 4.417 3.200 -7.318 1.00 0.00 C ATOM 370 CD1 PHE A 25 3.083 3.630 -7.248 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.856 2.466 -8.427 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.192 3.324 -8.287 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.966 2.163 -9.465 1.00 0.00 C ATOM 374 CZ PHE A 25 2.635 2.592 -9.395 1.00 0.00 C ATOM 0 H PHE A 25 4.708 0.917 -6.419 1.00 0.00 H new ATOM 0 HA PHE A 25 5.979 2.641 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.190 4.522 -5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.406 3.510 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.742 4.197 -6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.882 2.133 -8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.165 3.653 -8.232 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.307 1.598 -10.320 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.950 2.358 -10.196 1.00 0.00 H new ATOM 384 N TYR A 26 3.741 3.209 -3.291 1.00 0.00 N ATOM 385 CA TYR A 26 2.403 3.400 -2.672 1.00 0.00 C ATOM 386 C TYR A 26 1.732 4.575 -3.377 1.00 0.00 C ATOM 387 O TYR A 26 2.347 5.263 -4.167 1.00 0.00 O ATOM 388 CB TYR A 26 2.541 3.692 -1.169 1.00 0.00 C ATOM 389 CG TYR A 26 1.239 3.357 -0.469 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.819 2.024 -0.383 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.448 4.374 0.086 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.385 1.711 0.259 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.756 4.056 0.728 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.171 2.725 0.814 1.00 0.00 C ATOM 395 OH TYR A 26 -2.357 2.412 1.446 1.00 0.00 O ATOM 0 H TYR A 26 4.532 3.546 -2.741 1.00 0.00 H new ATOM 0 HA TYR A 26 1.805 2.495 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.356 3.104 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.791 4.741 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.423 1.238 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.768 5.403 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.708 0.683 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.363 4.840 1.156 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.779 3.233 1.776 1.00 0.00 H new ATOM 405 N THR A 27 0.482 4.811 -3.123 1.00 0.00 N ATOM 406 CA THR A 27 -0.194 5.938 -3.814 1.00 0.00 C ATOM 407 C THR A 27 0.444 7.268 -3.397 1.00 0.00 C ATOM 408 O THR A 27 1.321 7.313 -2.557 1.00 0.00 O ATOM 409 CB THR A 27 -1.679 5.937 -3.473 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.299 6.998 -4.165 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.879 6.112 -1.965 1.00 0.00 C ATOM 0 H THR A 27 -0.098 4.279 -2.474 1.00 0.00 H new ATOM 0 HA THR A 27 -0.078 5.817 -4.891 1.00 0.00 H new ATOM 0 HB THR A 27 -2.122 4.986 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.271 6.933 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.945 6.109 -1.737 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.392 5.293 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.442 7.059 -1.648 1.00 0.00 H new ATOM 419 N ASP A 28 0.025 8.348 -4.004 1.00 0.00 N ATOM 420 CA ASP A 28 0.619 9.680 -3.679 1.00 0.00 C ATOM 421 C ASP A 28 0.762 9.837 -2.138 1.00 0.00 C ATOM 422 O ASP A 28 -0.045 9.302 -1.404 1.00 0.00 O ATOM 423 CB ASP A 28 -0.300 10.789 -4.253 1.00 0.00 C ATOM 424 CG ASP A 28 0.494 11.734 -5.167 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.282 11.239 -5.957 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.298 12.933 -5.060 1.00 0.00 O ATOM 0 H ASP A 28 -0.707 8.365 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 28 1.611 9.763 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.118 10.336 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.748 11.356 -3.437 1.00 0.00 H new ATOM 431 N PRO A 29 1.772 10.571 -1.682 1.00 0.00 N ATOM 432 CA PRO A 29 1.992 10.796 -0.232 1.00 0.00 C ATOM 433 C PRO A 29 1.021 11.866 0.299 1.00 0.00 C ATOM 434 O PRO A 29 0.987 12.152 1.480 1.00 0.00 O ATOM 435 CB PRO A 29 3.434 11.332 -0.155 1.00 0.00 C ATOM 436 CG PRO A 29 3.764 11.897 -1.558 1.00 0.00 C ATOM 437 CD PRO A 29 2.786 11.229 -2.545 1.00 0.00 C ATOM 0 HA PRO A 29 1.833 9.893 0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.520 12.107 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.130 10.538 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.651 12.981 -1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.797 11.680 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.327 11.964 -3.206 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.297 10.504 -3.179 1.00 0.00 H new ATOM 445 N THR A 30 0.274 12.491 -0.567 1.00 0.00 N ATOM 446 CA THR A 30 -0.642 13.581 -0.117 1.00 0.00 C ATOM 447 C THR A 30 -1.566 13.099 1.007 1.00 0.00 C ATOM 448 O THR A 30 -1.808 13.810 1.962 1.00 0.00 O ATOM 449 CB THR A 30 -1.478 14.050 -1.307 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.373 13.016 -1.694 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.546 14.387 -2.474 1.00 0.00 C ATOM 0 H THR A 30 0.257 12.296 -1.568 1.00 0.00 H new ATOM 0 HA THR A 30 -0.043 14.405 0.270 1.00 0.00 H new ATOM 0 HB THR A 30 -2.050 14.935 -1.029 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.911 13.317 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.137 14.722 -3.326 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.141 15.179 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.023 13.500 -2.753 1.00 0.00 H new ATOM 459 N GLY A 31 -2.077 11.908 0.916 1.00 0.00 N ATOM 460 CA GLY A 31 -2.974 11.405 1.999 1.00 0.00 C ATOM 461 C GLY A 31 -4.290 12.196 2.012 1.00 0.00 C ATOM 462 O GLY A 31 -5.264 11.778 2.607 1.00 0.00 O ATOM 0 H GLY A 31 -1.917 11.260 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.180 10.346 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.477 11.497 2.965 1.00 0.00 H new ATOM 466 N GLY A 32 -4.332 13.333 1.362 1.00 0.00 N ATOM 467 CA GLY A 32 -5.592 14.145 1.340 1.00 0.00 C ATOM 468 C GLY A 32 -6.368 13.830 0.064 1.00 0.00 C ATOM 469 O GLY A 32 -7.554 14.075 -0.038 1.00 0.00 O ATOM 0 H GLY A 32 -3.550 13.735 0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.200 13.918 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.355 15.208 1.383 1.00 0.00 H new ATOM 473 N GLY A 33 -5.701 13.272 -0.900 1.00 0.00 N ATOM 474 CA GLY A 33 -6.367 12.909 -2.177 1.00 0.00 C ATOM 475 C GLY A 33 -5.365 12.141 -3.044 1.00 0.00 C ATOM 476 O GLY A 33 -5.108 12.526 -4.168 1.00 0.00 O ATOM 0 H GLY A 33 -4.707 13.048 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.249 12.298 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.708 13.805 -2.695 1.00 0.00 H new ATOM 480 N PRO A 34 -4.812 11.078 -2.495 1.00 0.00 N ATOM 481 CA PRO A 34 -3.820 10.258 -3.214 1.00 0.00 C ATOM 482 C PRO A 34 -4.498 9.487 -4.351 1.00 0.00 C ATOM 483 O PRO A 34 -5.677 9.637 -4.606 1.00 0.00 O ATOM 484 CB PRO A 34 -3.298 9.281 -2.143 1.00 0.00 C ATOM 485 CG PRO A 34 -4.346 9.270 -1.011 1.00 0.00 C ATOM 486 CD PRO A 34 -5.121 10.592 -1.126 1.00 0.00 C ATOM 0 HA PRO A 34 -3.025 10.853 -3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.167 8.282 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.325 9.600 -1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.017 8.417 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.865 9.185 -0.037 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.192 10.439 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.802 11.308 -0.368 1.00 0.00 H new ATOM 494 N ARG A 35 -3.759 8.645 -5.013 1.00 0.00 N ATOM 495 CA ARG A 35 -4.348 7.836 -6.112 1.00 0.00 C ATOM 496 C ARG A 35 -5.512 7.021 -5.543 1.00 0.00 C ATOM 497 O ARG A 35 -5.349 5.886 -5.140 1.00 0.00 O ATOM 498 CB ARG A 35 -3.277 6.887 -6.675 1.00 0.00 C ATOM 499 CG ARG A 35 -3.655 6.442 -8.094 1.00 0.00 C ATOM 500 CD ARG A 35 -2.575 5.495 -8.649 1.00 0.00 C ATOM 501 NE ARG A 35 -2.489 5.645 -10.138 1.00 0.00 N ATOM 502 CZ ARG A 35 -3.557 5.593 -10.890 1.00 0.00 C ATOM 503 NH1 ARG A 35 -4.703 5.222 -10.389 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.465 5.860 -12.164 1.00 0.00 N ATOM 0 H ARG A 35 -2.767 8.482 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.705 8.486 -6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.309 7.387 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.176 6.016 -6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.622 5.938 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.757 7.312 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.610 5.722 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.815 4.463 -8.391 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.578 5.791 -10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.771 4.970 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.531 5.184 -10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.562 6.108 -12.569 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.296 5.821 -12.755 1.00 0.00 H new ATOM 518 N ARG A 36 -6.684 7.584 -5.503 1.00 0.00 N ATOM 519 CA ARG A 36 -7.842 6.825 -4.957 1.00 0.00 C ATOM 520 C ARG A 36 -8.022 5.565 -5.795 1.00 0.00 C ATOM 521 O ARG A 36 -8.834 4.712 -5.501 1.00 0.00 O ATOM 522 CB ARG A 36 -9.112 7.680 -5.037 1.00 0.00 C ATOM 523 CG ARG A 36 -8.810 9.100 -4.556 1.00 0.00 C ATOM 524 CD ARG A 36 -10.084 9.943 -4.625 1.00 0.00 C ATOM 525 NE ARG A 36 -10.689 9.814 -5.981 1.00 0.00 N ATOM 526 CZ ARG A 36 -11.917 10.204 -6.188 1.00 0.00 C ATOM 527 NH1 ARG A 36 -12.615 10.711 -5.209 1.00 0.00 N ATOM 528 NH2 ARG A 36 -12.447 10.086 -7.375 1.00 0.00 N ATOM 0 H ARG A 36 -6.891 8.530 -5.822 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.661 6.566 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.482 7.704 -6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.898 7.238 -4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.432 9.077 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.031 9.547 -5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.793 9.614 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.854 10.988 -4.415 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.143 9.421 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.201 10.803 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.575 11.016 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.901 9.689 -8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.407 10.391 -7.538 1.00 0.00 H new ATOM 542 N GLY A 37 -7.266 5.455 -6.847 1.00 0.00 N ATOM 543 CA GLY A 37 -7.378 4.264 -7.730 1.00 0.00 C ATOM 544 C GLY A 37 -6.889 3.010 -7.000 1.00 0.00 C ATOM 545 O GLY A 37 -7.289 1.914 -7.330 1.00 0.00 O ATOM 0 H GLY A 37 -6.570 6.143 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.414 4.130 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.790 4.418 -8.635 1.00 0.00 H new ATOM 549 N ILE A 38 -6.013 3.148 -6.027 1.00 0.00 N ATOM 550 CA ILE A 38 -5.499 1.938 -5.295 1.00 0.00 C ATOM 551 C ILE A 38 -6.199 1.794 -3.928 1.00 0.00 C ATOM 552 O ILE A 38 -6.747 0.756 -3.612 1.00 0.00 O ATOM 553 CB ILE A 38 -3.944 2.049 -5.139 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.243 0.690 -5.415 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.519 2.553 -3.746 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.018 -0.500 -4.819 1.00 0.00 C ATOM 0 H ILE A 38 -5.633 4.040 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.726 1.039 -5.869 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.629 2.782 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.138 0.550 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.237 0.711 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.432 2.610 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.943 3.542 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.882 1.864 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.488 -1.426 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.100 -0.376 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.015 -0.540 -5.257 1.00 0.00 H new ATOM 568 N VAL A 39 -6.137 2.800 -3.097 1.00 0.00 N ATOM 569 CA VAL A 39 -6.743 2.683 -1.739 1.00 0.00 C ATOM 570 C VAL A 39 -8.253 2.452 -1.815 1.00 0.00 C ATOM 571 O VAL A 39 -8.744 1.429 -1.394 1.00 0.00 O ATOM 572 CB VAL A 39 -6.465 3.958 -0.935 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.727 3.684 0.549 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.002 4.392 -1.130 1.00 0.00 C ATOM 0 H VAL A 39 -5.694 3.696 -3.299 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.290 1.823 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.121 4.756 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.531 4.588 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.766 3.385 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.071 2.884 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.812 5.299 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.338 3.599 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.818 4.586 -2.187 1.00 0.00 H new ATOM 584 N GLU A 40 -8.997 3.392 -2.322 1.00 0.00 N ATOM 585 CA GLU A 40 -10.477 3.205 -2.383 1.00 0.00 C ATOM 586 C GLU A 40 -10.820 1.922 -3.142 1.00 0.00 C ATOM 587 O GLU A 40 -11.649 1.143 -2.715 1.00 0.00 O ATOM 588 CB GLU A 40 -11.119 4.398 -3.090 1.00 0.00 C ATOM 589 CG GLU A 40 -10.879 5.673 -2.274 1.00 0.00 C ATOM 590 CD GLU A 40 -11.833 6.772 -2.746 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.468 6.579 -3.770 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.912 7.788 -2.076 1.00 0.00 O ATOM 0 H GLU A 40 -8.651 4.276 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.861 3.131 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.699 4.510 -4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.189 4.228 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.035 5.473 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.846 6.001 -2.388 1.00 0.00 H new ATOM 599 N GLN A 41 -10.204 1.699 -4.267 1.00 0.00 N ATOM 600 CA GLN A 41 -10.513 0.471 -5.052 1.00 0.00 C ATOM 601 C GLN A 41 -10.489 -0.759 -4.144 1.00 0.00 C ATOM 602 O GLN A 41 -11.445 -1.504 -4.069 1.00 0.00 O ATOM 603 CB GLN A 41 -9.476 0.297 -6.164 1.00 0.00 C ATOM 604 CG GLN A 41 -9.944 -0.793 -7.130 1.00 0.00 C ATOM 605 CD GLN A 41 -8.902 -0.991 -8.221 1.00 0.00 C ATOM 606 OE1 GLN A 41 -7.719 -1.061 -7.950 1.00 0.00 O ATOM 607 NE2 GLN A 41 -9.297 -1.085 -9.456 1.00 0.00 N ATOM 0 H GLN A 41 -9.500 2.312 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.507 0.575 -5.487 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.338 1.237 -6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.510 0.029 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.103 -1.727 -6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.900 -0.514 -7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.290 -1.026 -9.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.613 -1.218 -10.201 1.00 0.00 H new ATOM 616 N CYS A 42 -9.397 -0.994 -3.472 1.00 0.00 N ATOM 617 CA CYS A 42 -9.304 -2.194 -2.592 1.00 0.00 C ATOM 618 C CYS A 42 -9.898 -1.916 -1.204 1.00 0.00 C ATOM 619 O CYS A 42 -10.361 -2.818 -0.535 1.00 0.00 O ATOM 620 CB CYS A 42 -7.838 -2.592 -2.452 1.00 0.00 C ATOM 621 SG CYS A 42 -7.137 -2.882 -4.093 1.00 0.00 S ATOM 0 H CYS A 42 -8.563 -0.407 -3.494 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.876 -3.004 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.283 -1.805 -1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.750 -3.491 -1.843 1.00 0.00 H new ATOM 626 N CYS A 43 -9.893 -0.688 -0.757 1.00 0.00 N ATOM 627 CA CYS A 43 -10.465 -0.392 0.594 1.00 0.00 C ATOM 628 C CYS A 43 -11.980 -0.242 0.475 1.00 0.00 C ATOM 629 O CYS A 43 -12.735 -0.878 1.185 1.00 0.00 O ATOM 630 CB CYS A 43 -9.862 0.900 1.159 1.00 0.00 C ATOM 631 SG CYS A 43 -10.583 1.229 2.788 1.00 0.00 S ATOM 0 H CYS A 43 -9.522 0.117 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.226 -1.213 1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.779 0.806 1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.060 1.733 0.485 1.00 0.00 H new ATOM 636 N HIS A 44 -12.434 0.589 -0.422 1.00 0.00 N ATOM 637 CA HIS A 44 -13.901 0.771 -0.588 1.00 0.00 C ATOM 638 C HIS A 44 -14.501 -0.503 -1.185 1.00 0.00 C ATOM 639 O HIS A 44 -15.656 -0.813 -0.973 1.00 0.00 O ATOM 640 CB HIS A 44 -14.168 1.951 -1.523 1.00 0.00 C ATOM 641 CG HIS A 44 -15.614 2.346 -1.432 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.647 1.424 -1.543 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.214 3.561 -1.241 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.806 2.098 -1.417 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.594 3.401 -1.232 1.00 0.00 N ATOM 0 H HIS A 44 -11.853 1.149 -1.046 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.358 0.971 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.532 2.794 -1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.918 1.680 -2.549 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.546 0.420 -1.693 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.695 4.500 -1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.783 1.641 -1.460 1.00 0.00 H new ATOM 653 N SER A 45 -13.720 -1.245 -1.934 1.00 0.00 N ATOM 654 CA SER A 45 -14.235 -2.510 -2.553 1.00 0.00 C ATOM 655 C SER A 45 -13.185 -3.615 -2.412 1.00 0.00 C ATOM 656 O SER A 45 -12.017 -3.354 -2.208 1.00 0.00 O ATOM 657 CB SER A 45 -14.529 -2.269 -4.035 1.00 0.00 C ATOM 658 OG SER A 45 -15.186 -1.018 -4.186 1.00 0.00 O ATOM 0 H SER A 45 -12.746 -1.029 -2.144 1.00 0.00 H new ATOM 0 HA SER A 45 -15.150 -2.815 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.602 -2.277 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.154 -3.071 -4.429 1.00 0.00 H new ATOM 0 HG SER A 45 -15.374 -0.860 -5.135 1.00 0.00 H new ATOM 664 N ILE A 46 -13.595 -4.852 -2.521 1.00 0.00 N ATOM 665 CA ILE A 46 -12.630 -5.979 -2.396 1.00 0.00 C ATOM 666 C ILE A 46 -11.945 -6.201 -3.752 1.00 0.00 C ATOM 667 O ILE A 46 -12.496 -6.824 -4.638 1.00 0.00 O ATOM 668 CB ILE A 46 -13.386 -7.264 -1.985 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.525 -6.950 -0.993 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.420 -8.255 -1.334 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.955 -6.516 0.362 1.00 0.00 C ATOM 0 H ILE A 46 -14.562 -5.129 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.883 -5.743 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.816 -7.698 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.159 -6.161 -1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.155 -7.830 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.962 -9.157 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.633 -8.514 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.976 -7.802 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.773 -6.299 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.341 -7.318 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.345 -5.622 0.231 1.00 0.00 H new ATOM 683 N CYS A 47 -10.749 -5.699 -3.923 1.00 0.00 N ATOM 684 CA CYS A 47 -10.037 -5.889 -5.225 1.00 0.00 C ATOM 685 C CYS A 47 -9.198 -7.167 -5.166 1.00 0.00 C ATOM 686 O CYS A 47 -8.685 -7.537 -4.129 1.00 0.00 O ATOM 687 CB CYS A 47 -9.124 -4.684 -5.495 1.00 0.00 C ATOM 688 SG CYS A 47 -7.622 -4.802 -4.487 1.00 0.00 S ATOM 0 H CYS A 47 -10.235 -5.167 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.768 -5.973 -6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.860 -4.648 -6.552 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.653 -3.759 -5.266 1.00 0.00 H new ATOM 693 N SER A 48 -9.050 -7.842 -6.272 1.00 0.00 N ATOM 694 CA SER A 48 -8.239 -9.092 -6.280 1.00 0.00 C ATOM 695 C SER A 48 -6.756 -8.730 -6.385 1.00 0.00 C ATOM 696 O SER A 48 -6.399 -7.611 -6.695 1.00 0.00 O ATOM 697 CB SER A 48 -8.646 -9.958 -7.478 1.00 0.00 C ATOM 698 OG SER A 48 -8.933 -9.117 -8.588 1.00 0.00 O ATOM 0 H SER A 48 -9.456 -7.582 -7.171 1.00 0.00 H new ATOM 0 HA SER A 48 -8.413 -9.649 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.843 -10.651 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.520 -10.559 -7.227 1.00 0.00 H new ATOM 0 HG SER A 48 -9.889 -8.902 -8.597 1.00 0.00 H new ATOM 704 N LEU A 49 -5.892 -9.673 -6.137 1.00 0.00 N ATOM 705 CA LEU A 49 -4.436 -9.388 -6.233 1.00 0.00 C ATOM 706 C LEU A 49 -4.144 -8.859 -7.630 1.00 0.00 C ATOM 707 O LEU A 49 -3.297 -8.012 -7.830 1.00 0.00 O ATOM 708 CB LEU A 49 -3.639 -10.676 -5.997 1.00 0.00 C ATOM 709 CG LEU A 49 -4.109 -11.375 -4.709 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.076 -12.422 -4.285 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.248 -10.365 -3.573 1.00 0.00 C ATOM 0 H LEU A 49 -6.132 -10.628 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.148 -8.653 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.762 -11.347 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.576 -10.444 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.073 -11.843 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.411 -12.915 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.962 -13.162 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.118 -11.935 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.581 -10.877 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.284 -9.892 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.978 -9.605 -3.850 1.00 0.00 H new ATOM 723 N TYR A 50 -4.860 -9.355 -8.593 1.00 0.00 N ATOM 724 CA TYR A 50 -4.683 -8.914 -9.990 1.00 0.00 C ATOM 725 C TYR A 50 -4.567 -7.396 -10.046 1.00 0.00 C ATOM 726 O TYR A 50 -3.602 -6.843 -10.535 1.00 0.00 O ATOM 727 CB TYR A 50 -5.923 -9.361 -10.762 1.00 0.00 C ATOM 728 CG TYR A 50 -5.589 -9.495 -12.208 1.00 0.00 C ATOM 729 CD1 TYR A 50 -4.992 -10.663 -12.648 1.00 0.00 C ATOM 730 CD2 TYR A 50 -5.873 -8.459 -13.092 1.00 0.00 C ATOM 731 CE1 TYR A 50 -4.668 -10.814 -13.999 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.555 -8.597 -14.446 1.00 0.00 C ATOM 733 CZ TYR A 50 -4.951 -9.778 -14.903 1.00 0.00 C ATOM 734 OH TYR A 50 -4.635 -9.921 -16.238 1.00 0.00 O ATOM 0 H TYR A 50 -5.579 -10.067 -8.462 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.777 -9.343 -10.418 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.283 -10.313 -10.372 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.727 -8.637 -10.629 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.777 -11.457 -11.948 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.337 -7.552 -12.734 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.202 -11.724 -14.346 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.773 -7.797 -15.138 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.899 -9.112 -16.725 1.00 0.00 H new ATOM 744 N GLN A 51 -5.557 -6.728 -9.546 1.00 0.00 N ATOM 745 CA GLN A 51 -5.532 -5.241 -9.562 1.00 0.00 C ATOM 746 C GLN A 51 -4.321 -4.759 -8.782 1.00 0.00 C ATOM 747 O GLN A 51 -3.623 -3.854 -9.193 1.00 0.00 O ATOM 748 CB GLN A 51 -6.810 -4.701 -8.925 1.00 0.00 C ATOM 749 CG GLN A 51 -8.005 -5.516 -9.433 1.00 0.00 C ATOM 750 CD GLN A 51 -9.304 -4.786 -9.103 1.00 0.00 C ATOM 751 OE1 GLN A 51 -10.148 -5.305 -8.399 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.500 -3.596 -9.590 1.00 0.00 N ATOM 0 H GLN A 51 -6.387 -7.144 -9.124 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.470 -4.882 -10.589 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.745 -4.765 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.939 -3.648 -9.175 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.924 -5.665 -10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.005 -6.504 -8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.790 -3.163 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.364 -3.096 -9.381 1.00 0.00 H new ATOM 761 N LEU A 52 -4.052 -5.366 -7.665 1.00 0.00 N ATOM 762 CA LEU A 52 -2.872 -4.944 -6.881 1.00 0.00 C ATOM 763 C LEU A 52 -1.633 -5.190 -7.728 1.00 0.00 C ATOM 764 O LEU A 52 -0.657 -4.470 -7.658 1.00 0.00 O ATOM 765 CB LEU A 52 -2.794 -5.752 -5.591 1.00 0.00 C ATOM 766 CG LEU A 52 -4.011 -5.442 -4.709 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.890 -6.236 -3.421 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.067 -3.942 -4.372 1.00 0.00 C ATOM 0 H LEU A 52 -4.596 -6.131 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.945 -3.888 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.761 -6.817 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.875 -5.512 -5.056 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.920 -5.714 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.748 -6.027 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.860 -7.301 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.974 -5.951 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.937 -3.742 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.161 -3.655 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.143 -3.365 -5.293 1.00 0.00 H new ATOM 780 N GLU A 53 -1.681 -6.206 -8.540 1.00 0.00 N ATOM 781 CA GLU A 53 -0.529 -6.523 -9.419 1.00 0.00 C ATOM 782 C GLU A 53 -0.436 -5.425 -10.482 1.00 0.00 C ATOM 783 O GLU A 53 0.516 -5.339 -11.233 1.00 0.00 O ATOM 784 CB GLU A 53 -0.763 -7.916 -10.063 1.00 0.00 C ATOM 785 CG GLU A 53 0.475 -8.826 -9.899 1.00 0.00 C ATOM 786 CD GLU A 53 0.500 -9.882 -11.011 1.00 0.00 C ATOM 787 OE1 GLU A 53 -0.561 -10.377 -11.355 1.00 0.00 O ATOM 788 OE2 GLU A 53 1.580 -10.177 -11.496 1.00 0.00 O ATOM 0 H GLU A 53 -2.478 -6.836 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 53 0.407 -6.559 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.629 -8.391 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.991 -7.796 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.385 -8.227 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.452 -9.313 -8.924 1.00 0.00 H new ATOM 795 N ASN A 54 -1.433 -4.588 -10.540 1.00 0.00 N ATOM 796 CA ASN A 54 -1.445 -3.486 -11.537 1.00 0.00 C ATOM 797 C ASN A 54 -0.486 -2.379 -11.091 1.00 0.00 C ATOM 798 O ASN A 54 0.057 -1.654 -11.900 1.00 0.00 O ATOM 799 CB ASN A 54 -2.875 -2.932 -11.636 1.00 0.00 C ATOM 800 CG ASN A 54 -3.075 -2.221 -12.975 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.132 -1.740 -13.571 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.278 -2.135 -13.472 1.00 0.00 N ATOM 0 H ASN A 54 -2.250 -4.622 -9.930 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.124 -3.857 -12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.595 -3.744 -11.536 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.061 -2.238 -10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.429 -1.663 -14.363 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.068 -2.540 -12.969 1.00 0.00 H new ATOM 809 N TYR A 55 -0.281 -2.239 -9.805 1.00 0.00 N ATOM 810 CA TYR A 55 0.635 -1.172 -9.293 1.00 0.00 C ATOM 811 C TYR A 55 1.989 -1.778 -8.921 1.00 0.00 C ATOM 812 O TYR A 55 2.849 -1.106 -8.388 1.00 0.00 O ATOM 813 CB TYR A 55 0.005 -0.532 -8.057 1.00 0.00 C ATOM 814 CG TYR A 55 -1.453 -0.281 -8.329 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.374 -1.302 -8.120 1.00 0.00 C ATOM 816 CD2 TYR A 55 -1.875 0.962 -8.797 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.736 -1.086 -8.376 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.233 1.185 -9.058 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.164 0.161 -8.847 1.00 0.00 C ATOM 820 OH TYR A 55 -5.503 0.380 -9.103 1.00 0.00 O ATOM 0 H TYR A 55 -0.710 -2.820 -9.085 1.00 0.00 H new ATOM 0 HA TYR A 55 0.787 -0.420 -10.067 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.120 -1.187 -7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.510 0.404 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.040 -2.264 -7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.156 1.752 -8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.451 -1.878 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.562 2.147 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.042 -0.260 -8.593 1.00 0.00 H new ATOM 830 N CYS A 56 2.197 -3.038 -9.199 1.00 0.00 N ATOM 831 CA CYS A 56 3.508 -3.657 -8.856 1.00 0.00 C ATOM 832 C CYS A 56 4.534 -3.291 -9.930 1.00 0.00 C ATOM 833 O CYS A 56 4.459 -3.746 -11.054 1.00 0.00 O ATOM 834 CB CYS A 56 3.364 -5.177 -8.794 1.00 0.00 C ATOM 835 SG CYS A 56 2.389 -5.644 -7.340 1.00 0.00 S ATOM 0 H CYS A 56 1.522 -3.659 -9.645 1.00 0.00 H new ATOM 0 HA CYS A 56 3.838 -3.287 -7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.880 -5.543 -9.700 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.348 -5.643 -8.748 1.00 0.00 H new ATOM 840 N ASN A 57 5.494 -2.473 -9.596 1.00 0.00 N ATOM 841 CA ASN A 57 6.521 -2.081 -10.601 1.00 0.00 C ATOM 842 C ASN A 57 5.827 -1.620 -11.885 1.00 0.00 C ATOM 843 O ASN A 57 5.555 -0.436 -11.996 1.00 0.00 O ATOM 844 CB ASN A 57 7.417 -3.284 -10.909 1.00 0.00 C ATOM 845 CG ASN A 57 8.384 -2.926 -12.039 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.018 -2.946 -13.197 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.614 -2.597 -11.749 1.00 0.00 N ATOM 848 OXT ASN A 57 5.579 -2.460 -12.735 1.00 0.00 O ATOM 0 H ASN A 57 5.611 -2.060 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 57 7.128 -1.268 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.974 -3.573 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.807 -4.141 -11.196 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.267 -2.357 -12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.922 -2.580 -10.777 1.00 0.00 H new TER 855 ASN A 57