USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 71 ASN : amide:sc= 1.95 K(o=4,f=-3.9) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 177:sc= 2.01 (180deg=1.01) USER MOD Set 2.1: A 38 ASN : amide:sc= -0.1 K(o=0.59,f=-2.4!) USER MOD Set 2.2: A 51 TYR OH : rot -153:sc= 0.688 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -23:sc= -0.582! USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0.765 (180deg=0.589) USER MOD Single : A 18 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.24) USER MOD Single : A 19 THR OG1 : rot 20:sc= 0.689 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 32 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.069) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0.625 K(o=0.62,f=-3.3!) USER MOD Single : A 52 SER OG : rot -49:sc= 0.113 USER MOD Single : A 57 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0516 (180deg=-0.31) USER MOD Single : A 66 THR OG1 : rot -171:sc= 1.47 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.0495 (180deg=-0.277) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -8.65! C(o=-8.6!,f=-5.5!) USER MOD Single : A 78 THR OG1 : rot 57:sc= 0.28 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -108:sc= 1.19 (180deg=-0.496) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 -11.464 1.844 5.446 1.00 0.00 N ATOM 2 CA LYS A 5 -11.865 1.718 4.058 1.00 0.00 C ATOM 3 C LYS A 5 -10.825 2.402 3.168 1.00 0.00 C ATOM 4 O LYS A 5 -10.640 2.033 2.011 1.00 0.00 O ATOM 5 CB LYS A 5 -13.257 2.323 3.831 1.00 0.00 C ATOM 6 CG LYS A 5 -13.339 3.817 4.117 1.00 0.00 C ATOM 7 CD LYS A 5 -14.716 4.381 3.792 1.00 0.00 C ATOM 8 CE LYS A 5 -15.790 3.815 4.708 1.00 0.00 C ATOM 9 NZ LYS A 5 -17.127 4.384 4.400 1.00 0.00 N ATOM 0 HA LYS A 5 -11.921 0.661 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.555 2.145 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.975 1.803 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.110 3.999 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.584 4.341 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.695 5.467 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.966 4.154 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.823 2.730 4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.533 4.028 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.835 3.976 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.102 5.416 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.382 4.159 3.417 1.00 0.00 H new ATOM 23 N LEU A 6 -10.118 3.379 3.742 1.00 0.00 N ATOM 24 CA LEU A 6 -9.100 4.130 3.013 1.00 0.00 C ATOM 25 C LEU A 6 -7.883 3.263 2.737 1.00 0.00 C ATOM 26 O LEU A 6 -7.213 3.433 1.723 1.00 0.00 O ATOM 27 CB LEU A 6 -8.671 5.383 3.791 1.00 0.00 C ATOM 28 CG LEU A 6 -9.525 6.639 3.570 1.00 0.00 C ATOM 29 CD1 LEU A 6 -9.542 7.017 2.099 1.00 0.00 C ATOM 30 CD2 LEU A 6 -10.940 6.445 4.091 1.00 0.00 C ATOM 0 H LEU A 6 -10.235 3.667 4.713 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.540 4.440 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.678 5.146 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.641 5.617 3.524 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.074 7.455 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.152 7.910 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.525 7.217 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.962 6.196 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.519 7.353 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.409 5.611 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.908 6.232 5.159 1.00 0.00 H new ATOM 42 N ARG A 7 -7.614 2.314 3.633 1.00 0.00 N ATOM 43 CA ARG A 7 -6.450 1.437 3.495 1.00 0.00 C ATOM 44 C ARG A 7 -6.578 0.560 2.253 1.00 0.00 C ATOM 45 O ARG A 7 -5.603 -0.022 1.786 1.00 0.00 O ATOM 46 CB ARG A 7 -6.274 0.569 4.743 1.00 0.00 C ATOM 47 CG ARG A 7 -7.294 -0.551 4.875 1.00 0.00 C ATOM 48 CD ARG A 7 -7.199 -1.226 6.234 1.00 0.00 C ATOM 49 NE ARG A 7 -5.848 -1.694 6.533 1.00 0.00 N ATOM 50 CZ ARG A 7 -5.235 -1.506 7.705 1.00 0.00 C ATOM 51 NH1 ARG A 7 -5.804 -0.808 8.669 1.00 0.00 N ATOM 52 NH2 ARG A 7 -4.035 -2.014 7.912 1.00 0.00 N ATOM 0 H ARG A 7 -8.183 2.133 4.460 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.566 2.065 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.274 0.135 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.335 1.206 5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.298 -0.150 4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.132 -1.288 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -7.517 -0.526 7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.888 -2.070 6.266 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.342 -2.195 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.728 -0.401 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.320 -0.676 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.575 -2.551 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.568 -1.870 8.807 1.00 0.00 H new ATOM 66 N TYR A 8 -7.793 0.475 1.730 1.00 0.00 N ATOM 67 CA TYR A 8 -8.053 -0.244 0.494 1.00 0.00 C ATOM 68 C TYR A 8 -7.613 0.595 -0.699 1.00 0.00 C ATOM 69 O TYR A 8 -6.955 0.101 -1.617 1.00 0.00 O ATOM 70 CB TYR A 8 -9.546 -0.585 0.400 1.00 0.00 C ATOM 71 CG TYR A 8 -9.996 -1.080 -0.958 1.00 0.00 C ATOM 72 CD1 TYR A 8 -9.264 -2.029 -1.658 1.00 0.00 C ATOM 73 CD2 TYR A 8 -11.157 -0.586 -1.540 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.677 -2.475 -2.897 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.577 -1.029 -2.777 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.832 -1.974 -3.449 1.00 0.00 C ATOM 77 OH TYR A 8 -11.241 -2.420 -4.680 1.00 0.00 O ATOM 0 H TYR A 8 -8.620 0.900 2.148 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.483 -1.173 0.487 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.779 -1.346 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.125 0.302 0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.357 -2.425 -1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.740 0.157 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.096 -3.213 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.483 -0.638 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.473 -2.782 -5.169 1.00 0.00 H new ATOM 87 N ALA A 9 -7.957 1.875 -0.665 1.00 0.00 N ATOM 88 CA ALA A 9 -7.618 2.788 -1.741 1.00 0.00 C ATOM 89 C ALA A 9 -6.122 3.083 -1.751 1.00 0.00 C ATOM 90 O ALA A 9 -5.545 3.357 -2.805 1.00 0.00 O ATOM 91 CB ALA A 9 -8.424 4.067 -1.615 1.00 0.00 C ATOM 0 H ALA A 9 -8.474 2.304 0.103 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.869 2.315 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.161 4.744 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.487 3.834 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.203 4.544 -0.660 1.00 0.00 H new ATOM 97 N ILE A 10 -5.502 2.992 -0.573 1.00 0.00 N ATOM 98 CA ILE A 10 -4.061 3.206 -0.420 1.00 0.00 C ATOM 99 C ILE A 10 -3.258 2.375 -1.426 1.00 0.00 C ATOM 100 O ILE A 10 -2.261 2.847 -1.974 1.00 0.00 O ATOM 101 CB ILE A 10 -3.593 2.876 1.022 1.00 0.00 C ATOM 102 CG1 ILE A 10 -4.166 3.900 2.004 1.00 0.00 C ATOM 103 CG2 ILE A 10 -2.072 2.839 1.114 1.00 0.00 C ATOM 104 CD1 ILE A 10 -3.737 3.682 3.440 1.00 0.00 C ATOM 0 H ILE A 10 -5.982 2.769 0.299 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.876 4.262 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.965 1.885 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.860 4.899 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.254 3.869 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.775 2.605 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.685 2.075 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.667 3.811 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.184 4.448 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.067 2.698 3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.651 3.743 3.509 1.00 0.00 H new ATOM 116 N LEU A 11 -3.719 1.152 -1.685 1.00 0.00 N ATOM 117 CA LEU A 11 -3.041 0.252 -2.618 1.00 0.00 C ATOM 118 C LEU A 11 -2.907 0.874 -4.007 1.00 0.00 C ATOM 119 O LEU A 11 -1.918 0.651 -4.701 1.00 0.00 O ATOM 120 CB LEU A 11 -3.791 -1.076 -2.720 1.00 0.00 C ATOM 121 CG LEU A 11 -3.713 -1.967 -1.481 1.00 0.00 C ATOM 122 CD1 LEU A 11 -4.605 -3.190 -1.648 1.00 0.00 C ATOM 123 CD2 LEU A 11 -2.274 -2.394 -1.230 1.00 0.00 C ATOM 0 H LEU A 11 -4.560 0.761 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.039 0.074 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.840 -0.867 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.399 -1.631 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.065 -1.397 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.538 -3.814 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.637 -2.871 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.279 -3.762 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.232 -3.028 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.904 -2.949 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.654 -1.511 -1.073 1.00 0.00 H new ATOM 135 N LYS A 12 -3.897 1.664 -4.400 1.00 0.00 N ATOM 136 CA LYS A 12 -3.888 2.294 -5.713 1.00 0.00 C ATOM 137 C LYS A 12 -2.887 3.437 -5.738 1.00 0.00 C ATOM 138 O LYS A 12 -2.070 3.525 -6.645 1.00 0.00 O ATOM 139 CB LYS A 12 -5.284 2.799 -6.075 1.00 0.00 C ATOM 140 CG LYS A 12 -5.390 3.425 -7.455 1.00 0.00 C ATOM 141 CD LYS A 12 -6.834 3.787 -7.780 1.00 0.00 C ATOM 142 CE LYS A 12 -7.420 4.730 -6.740 1.00 0.00 C ATOM 143 NZ LYS A 12 -8.876 4.959 -6.942 1.00 0.00 N ATOM 0 H LYS A 12 -4.714 1.883 -3.830 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.590 1.552 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.985 1.967 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.595 3.534 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.768 4.319 -7.502 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.008 2.731 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.880 4.254 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.435 2.879 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.254 4.318 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.895 5.684 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.202 5.708 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.049 5.248 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.396 4.081 -6.743 1.00 0.00 H new ATOM 157 N GLU A 13 -2.941 4.294 -4.728 1.00 0.00 N ATOM 158 CA GLU A 13 -2.010 5.412 -4.620 1.00 0.00 C ATOM 159 C GLU A 13 -0.565 4.912 -4.590 1.00 0.00 C ATOM 160 O GLU A 13 0.328 5.523 -5.184 1.00 0.00 O ATOM 161 CB GLU A 13 -2.325 6.243 -3.373 1.00 0.00 C ATOM 162 CG GLU A 13 -3.402 7.310 -3.583 1.00 0.00 C ATOM 163 CD GLU A 13 -4.607 6.828 -4.377 1.00 0.00 C ATOM 164 OE1 GLU A 13 -5.542 6.270 -3.775 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.626 7.028 -5.613 1.00 0.00 O ATOM 0 H GLU A 13 -3.621 4.237 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.127 6.048 -5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.645 5.573 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.410 6.729 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.740 7.666 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.958 8.162 -4.098 1.00 0.00 H new ATOM 172 N ILE A 14 -0.345 3.788 -3.911 1.00 0.00 N ATOM 173 CA ILE A 14 0.963 3.145 -3.901 1.00 0.00 C ATOM 174 C ILE A 14 1.305 2.609 -5.290 1.00 0.00 C ATOM 175 O ILE A 14 2.410 2.815 -5.786 1.00 0.00 O ATOM 176 CB ILE A 14 1.022 1.984 -2.878 1.00 0.00 C ATOM 177 CG1 ILE A 14 0.858 2.517 -1.454 1.00 0.00 C ATOM 178 CG2 ILE A 14 2.330 1.212 -3.009 1.00 0.00 C ATOM 179 CD1 ILE A 14 0.869 1.435 -0.393 1.00 0.00 C ATOM 0 H ILE A 14 -1.056 3.306 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 14 1.691 3.901 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 14 0.200 1.301 -3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.660 3.225 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.080 3.069 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.349 0.402 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.409 0.798 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.169 1.884 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.748 1.889 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.050 0.739 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.817 0.898 -0.431 1.00 0.00 H new ATOM 191 N PHE A 15 0.340 1.943 -5.915 1.00 0.00 N ATOM 192 CA PHE A 15 0.533 1.338 -7.230 1.00 0.00 C ATOM 193 C PHE A 15 0.813 2.392 -8.305 1.00 0.00 C ATOM 194 O PHE A 15 1.760 2.257 -9.079 1.00 0.00 O ATOM 195 CB PHE A 15 -0.701 0.508 -7.602 1.00 0.00 C ATOM 196 CG PHE A 15 -0.622 -0.142 -8.955 1.00 0.00 C ATOM 197 CD1 PHE A 15 0.319 -1.126 -9.214 1.00 0.00 C ATOM 198 CD2 PHE A 15 -1.490 0.234 -9.969 1.00 0.00 C ATOM 199 CE1 PHE A 15 0.393 -1.723 -10.458 1.00 0.00 C ATOM 200 CE2 PHE A 15 -1.421 -0.359 -11.215 1.00 0.00 C ATOM 201 CZ PHE A 15 -0.478 -1.339 -11.459 1.00 0.00 C ATOM 0 H PHE A 15 -0.594 1.807 -5.528 1.00 0.00 H new ATOM 0 HA PHE A 15 1.407 0.688 -7.179 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.845 -0.266 -6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.580 1.151 -7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.002 -1.430 -8.435 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.229 0.999 -9.783 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.131 -2.489 -10.647 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.103 -0.057 -11.996 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.422 -1.805 -12.432 1.00 0.00 H new ATOM 211 N GLU A 16 -0.003 3.445 -8.341 1.00 0.00 N ATOM 212 CA GLU A 16 0.143 4.486 -9.354 1.00 0.00 C ATOM 213 C GLU A 16 1.464 5.224 -9.183 1.00 0.00 C ATOM 214 O GLU A 16 2.124 5.575 -10.162 1.00 0.00 O ATOM 215 CB GLU A 16 -1.003 5.504 -9.288 1.00 0.00 C ATOM 216 CG GLU A 16 -2.400 4.901 -9.260 1.00 0.00 C ATOM 217 CD GLU A 16 -3.464 5.928 -9.579 1.00 0.00 C ATOM 218 OE1 GLU A 16 -3.427 7.027 -8.988 1.00 0.00 O ATOM 219 OE2 GLU A 16 -4.340 5.646 -10.422 1.00 0.00 O ATOM 0 H GLU A 16 -0.768 3.598 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 16 0.120 3.989 -10.324 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.871 6.119 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.928 6.169 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.457 4.084 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.591 4.474 -8.276 1.00 0.00 H new ATOM 226 N GLY A 17 1.843 5.468 -7.934 1.00 0.00 N ATOM 227 CA GLY A 17 3.068 6.193 -7.658 1.00 0.00 C ATOM 228 C GLY A 17 4.294 5.309 -7.744 1.00 0.00 C ATOM 229 O GLY A 17 5.392 5.792 -8.024 1.00 0.00 O ATOM 0 H GLY A 17 1.323 5.176 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.167 7.016 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.010 6.633 -6.663 1.00 0.00 H new ATOM 233 N ASN A 18 4.095 4.015 -7.489 1.00 0.00 N ATOM 234 CA ASN A 18 5.175 3.024 -7.504 1.00 0.00 C ATOM 235 C ASN A 18 6.192 3.338 -6.406 1.00 0.00 C ATOM 236 O ASN A 18 7.361 2.963 -6.496 1.00 0.00 O ATOM 237 CB ASN A 18 5.849 2.980 -8.885 1.00 0.00 C ATOM 238 CG ASN A 18 6.713 1.746 -9.095 1.00 0.00 C ATOM 239 OD1 ASN A 18 7.715 1.795 -9.810 1.00 0.00 O ATOM 240 ND2 ASN A 18 6.322 0.626 -8.500 1.00 0.00 N ATOM 0 H ASN A 18 3.180 3.623 -7.266 1.00 0.00 H new ATOM 0 HA ASN A 18 4.751 2.039 -7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.081 3.013 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.464 3.871 -9.010 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.857 -0.233 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.486 0.624 -7.915 1.00 0.00 H new ATOM 247 N THR A 19 5.705 4.015 -5.356 1.00 0.00 N ATOM 248 CA THR A 19 6.511 4.454 -4.204 1.00 0.00 C ATOM 249 C THR A 19 7.725 5.304 -4.612 1.00 0.00 C ATOM 250 O THR A 19 8.065 5.402 -5.792 1.00 0.00 O ATOM 251 CB THR A 19 6.953 3.268 -3.301 1.00 0.00 C ATOM 252 OG1 THR A 19 7.581 2.225 -4.053 1.00 0.00 O ATOM 253 CG2 THR A 19 5.762 2.698 -2.550 1.00 0.00 C ATOM 0 H THR A 19 4.722 4.278 -5.281 1.00 0.00 H new ATOM 0 HA THR A 19 5.849 5.092 -3.618 1.00 0.00 H new ATOM 0 HB THR A 19 7.681 3.663 -2.593 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.894 2.583 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.090 1.869 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.321 3.474 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.019 2.342 -3.263 1.00 0.00 H new ATOM 261 N PRO A 20 8.373 5.985 -3.648 1.00 0.00 N ATOM 262 CA PRO A 20 7.955 6.018 -2.245 1.00 0.00 C ATOM 263 C PRO A 20 6.939 7.125 -1.965 1.00 0.00 C ATOM 264 O PRO A 20 6.847 8.098 -2.713 1.00 0.00 O ATOM 265 CB PRO A 20 9.265 6.316 -1.523 1.00 0.00 C ATOM 266 CG PRO A 20 10.049 7.155 -2.476 1.00 0.00 C ATOM 267 CD PRO A 20 9.594 6.782 -3.866 1.00 0.00 C ATOM 0 HA PRO A 20 7.462 5.096 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.088 6.844 -0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.797 5.397 -1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.880 8.215 -2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.118 6.976 -2.359 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.389 7.667 -4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.356 6.207 -4.393 1.00 0.00 H new ATOM 275 N LEU A 21 6.170 6.959 -0.900 1.00 0.00 N ATOM 276 CA LEU A 21 5.276 8.007 -0.428 1.00 0.00 C ATOM 277 C LEU A 21 5.053 7.843 1.069 1.00 0.00 C ATOM 278 O LEU A 21 4.752 6.749 1.545 1.00 0.00 O ATOM 279 CB LEU A 21 3.931 8.006 -1.184 1.00 0.00 C ATOM 280 CG LEU A 21 2.933 6.888 -0.840 1.00 0.00 C ATOM 281 CD1 LEU A 21 1.549 7.243 -1.359 1.00 0.00 C ATOM 282 CD2 LEU A 21 3.371 5.559 -1.430 1.00 0.00 C ATOM 0 H LEU A 21 6.147 6.105 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 21 5.746 8.970 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.441 8.963 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.144 7.953 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 21 2.902 6.791 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.851 6.444 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.215 8.173 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.587 7.367 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.645 4.788 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.435 5.646 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.348 5.288 -1.030 1.00 0.00 H new ATOM 294 N SER A 22 5.241 8.919 1.810 1.00 0.00 N ATOM 295 CA SER A 22 5.068 8.883 3.249 1.00 0.00 C ATOM 296 C SER A 22 3.603 9.099 3.614 1.00 0.00 C ATOM 297 O SER A 22 2.783 9.449 2.756 1.00 0.00 O ATOM 298 CB SER A 22 5.945 9.948 3.912 1.00 0.00 C ATOM 299 OG SER A 22 7.314 9.755 3.593 1.00 0.00 O ATOM 0 H SER A 22 5.514 9.829 1.438 1.00 0.00 H new ATOM 0 HA SER A 22 5.373 7.902 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.629 10.939 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.812 9.911 4.993 1.00 0.00 H new ATOM 0 HG SER A 22 7.852 10.449 4.027 1.00 0.00 H new ATOM 305 N GLU A 23 3.279 8.887 4.884 1.00 0.00 N ATOM 306 CA GLU A 23 1.926 9.090 5.381 1.00 0.00 C ATOM 307 C GLU A 23 1.435 10.507 5.082 1.00 0.00 C ATOM 308 O GLU A 23 0.275 10.710 4.717 1.00 0.00 O ATOM 309 CB GLU A 23 1.851 8.787 6.888 1.00 0.00 C ATOM 310 CG GLU A 23 3.169 8.946 7.649 1.00 0.00 C ATOM 311 CD GLU A 23 3.674 10.376 7.700 1.00 0.00 C ATOM 312 OE1 GLU A 23 3.243 11.132 8.593 1.00 0.00 O ATOM 313 OE2 GLU A 23 4.518 10.742 6.852 1.00 0.00 O ATOM 0 H GLU A 23 3.942 8.572 5.592 1.00 0.00 H new ATOM 0 HA GLU A 23 1.267 8.395 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.108 9.445 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.494 7.766 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.037 8.580 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.927 8.319 7.180 1.00 0.00 H new ATOM 320 N ASN A 24 2.339 11.470 5.199 1.00 0.00 N ATOM 321 CA ASN A 24 2.027 12.866 4.919 1.00 0.00 C ATOM 322 C ASN A 24 1.624 13.070 3.460 1.00 0.00 C ATOM 323 O ASN A 24 0.709 13.839 3.160 1.00 0.00 O ATOM 324 CB ASN A 24 3.230 13.751 5.259 1.00 0.00 C ATOM 325 CG ASN A 24 3.039 15.197 4.833 1.00 0.00 C ATOM 326 OD1 ASN A 24 3.428 15.589 3.731 1.00 0.00 O ATOM 327 ND2 ASN A 24 2.435 15.997 5.699 1.00 0.00 N ATOM 0 H ASN A 24 3.303 11.308 5.489 1.00 0.00 H new ATOM 0 HA ASN A 24 1.179 13.150 5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.409 13.715 6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.119 13.349 4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.277 16.977 5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.128 15.633 6.601 1.00 0.00 H new ATOM 334 N ASP A 25 2.292 12.366 2.556 1.00 0.00 N ATOM 335 CA ASP A 25 2.075 12.557 1.124 1.00 0.00 C ATOM 336 C ASP A 25 0.735 11.981 0.693 1.00 0.00 C ATOM 337 O ASP A 25 0.029 12.571 -0.126 1.00 0.00 O ATOM 338 CB ASP A 25 3.190 11.899 0.310 1.00 0.00 C ATOM 339 CG ASP A 25 4.565 12.416 0.674 1.00 0.00 C ATOM 340 OD1 ASP A 25 4.859 13.600 0.400 1.00 0.00 O ATOM 341 OD2 ASP A 25 5.362 11.638 1.236 1.00 0.00 O ATOM 0 H ASP A 25 2.989 11.657 2.786 1.00 0.00 H new ATOM 0 HA ASP A 25 2.079 13.631 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.159 10.821 0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.010 12.073 -0.751 1.00 0.00 H new ATOM 346 N ILE A 26 0.385 10.831 1.249 1.00 0.00 N ATOM 347 CA ILE A 26 -0.850 10.155 0.871 1.00 0.00 C ATOM 348 C ILE A 26 -2.054 10.731 1.626 1.00 0.00 C ATOM 349 O ILE A 26 -3.165 10.777 1.091 1.00 0.00 O ATOM 350 CB ILE A 26 -0.751 8.623 1.092 1.00 0.00 C ATOM 351 CG1 ILE A 26 -2.028 7.925 0.611 1.00 0.00 C ATOM 352 CG2 ILE A 26 -0.475 8.298 2.551 1.00 0.00 C ATOM 353 CD1 ILE A 26 -1.998 6.423 0.762 1.00 0.00 C ATOM 0 H ILE A 26 0.934 10.347 1.960 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.000 10.332 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 26 0.087 8.250 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.878 8.319 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.192 8.172 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.411 7.217 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.467 8.755 2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.283 8.688 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.936 6.002 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.170 6.015 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.866 6.166 1.813 1.00 0.00 H new ATOM 365 N GLY A 27 -1.834 11.185 2.854 1.00 0.00 N ATOM 366 CA GLY A 27 -2.903 11.809 3.614 1.00 0.00 C ATOM 367 C GLY A 27 -3.386 10.961 4.775 1.00 0.00 C ATOM 368 O GLY A 27 -4.572 10.967 5.103 1.00 0.00 O ATOM 0 H GLY A 27 -0.937 11.133 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.556 12.770 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.742 12.013 2.948 1.00 0.00 H new ATOM 372 N VAL A 28 -2.473 10.231 5.403 1.00 0.00 N ATOM 373 CA VAL A 28 -2.801 9.437 6.583 1.00 0.00 C ATOM 374 C VAL A 28 -1.793 9.727 7.686 1.00 0.00 C ATOM 375 O VAL A 28 -0.797 10.409 7.450 1.00 0.00 O ATOM 376 CB VAL A 28 -2.825 7.917 6.288 1.00 0.00 C ATOM 377 CG1 VAL A 28 -3.911 7.576 5.279 1.00 0.00 C ATOM 378 CG2 VAL A 28 -1.472 7.433 5.791 1.00 0.00 C ATOM 0 H VAL A 28 -1.496 10.172 5.115 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.805 9.722 6.899 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.049 7.404 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.907 6.503 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.882 7.871 5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.723 8.110 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.519 6.362 5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.211 7.961 4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.715 7.628 6.550 1.00 0.00 H new ATOM 388 N THR A 29 -2.059 9.248 8.892 1.00 0.00 N ATOM 389 CA THR A 29 -1.139 9.457 9.998 1.00 0.00 C ATOM 390 C THR A 29 -0.046 8.391 10.020 1.00 0.00 C ATOM 391 O THR A 29 -0.136 7.372 9.330 1.00 0.00 O ATOM 392 CB THR A 29 -1.865 9.476 11.356 1.00 0.00 C ATOM 393 OG1 THR A 29 -2.575 8.254 11.556 1.00 0.00 O ATOM 394 CG2 THR A 29 -2.832 10.645 11.442 1.00 0.00 C ATOM 0 H THR A 29 -2.897 8.717 9.128 1.00 0.00 H new ATOM 0 HA THR A 29 -0.682 10.434 9.839 1.00 0.00 H new ATOM 0 HB THR A 29 -1.111 9.589 12.135 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.030 8.278 12.423 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.331 10.634 12.411 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.284 11.580 11.327 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.576 10.561 10.650 1.00 0.00 H new ATOM 402 N GLU A 30 0.973 8.645 10.829 1.00 0.00 N ATOM 403 CA GLU A 30 2.124 7.758 10.983 1.00 0.00 C ATOM 404 C GLU A 30 1.685 6.337 11.283 1.00 0.00 C ATOM 405 O GLU A 30 1.955 5.398 10.534 1.00 0.00 O ATOM 406 CB GLU A 30 3.001 8.207 12.164 1.00 0.00 C ATOM 407 CG GLU A 30 3.172 9.708 12.331 1.00 0.00 C ATOM 408 CD GLU A 30 1.935 10.415 12.850 1.00 0.00 C ATOM 409 OE1 GLU A 30 1.674 10.358 14.071 1.00 0.00 O ATOM 410 OE2 GLU A 30 1.209 11.023 12.034 1.00 0.00 O ATOM 0 H GLU A 30 1.027 9.484 11.406 1.00 0.00 H new ATOM 0 HA GLU A 30 2.677 7.799 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.573 7.805 13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.988 7.759 12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.999 9.895 13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.449 10.141 11.370 1.00 0.00 H new ATOM 417 N ASP A 31 0.983 6.211 12.391 1.00 0.00 N ATOM 418 CA ASP A 31 0.657 4.927 12.974 1.00 0.00 C ATOM 419 C ASP A 31 -0.451 4.217 12.203 1.00 0.00 C ATOM 420 O ASP A 31 -0.606 3.000 12.303 1.00 0.00 O ATOM 421 CB ASP A 31 0.272 5.144 14.434 1.00 0.00 C ATOM 422 CG ASP A 31 1.459 5.038 15.372 1.00 0.00 C ATOM 423 OD1 ASP A 31 1.903 3.906 15.659 1.00 0.00 O ATOM 424 OD2 ASP A 31 1.954 6.091 15.832 1.00 0.00 O ATOM 0 H ASP A 31 0.619 7.006 12.917 1.00 0.00 H new ATOM 0 HA ASP A 31 1.529 4.275 12.918 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.186 6.127 14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.480 4.409 14.721 1.00 0.00 H new ATOM 429 N GLN A 32 -1.216 4.973 11.428 1.00 0.00 N ATOM 430 CA GLN A 32 -2.228 4.385 10.559 1.00 0.00 C ATOM 431 C GLN A 32 -1.577 3.835 9.296 1.00 0.00 C ATOM 432 O GLN A 32 -1.973 2.790 8.783 1.00 0.00 O ATOM 433 CB GLN A 32 -3.298 5.416 10.206 1.00 0.00 C ATOM 434 CG GLN A 32 -4.223 5.749 11.365 1.00 0.00 C ATOM 435 CD GLN A 32 -5.257 4.671 11.617 1.00 0.00 C ATOM 436 OE1 GLN A 32 -5.026 3.721 12.371 1.00 0.00 O ATOM 437 NE2 GLN A 32 -6.415 4.824 10.996 1.00 0.00 N ATOM 0 H GLN A 32 -1.157 5.990 11.382 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.710 3.564 11.090 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.812 6.330 9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.892 5.041 9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.630 5.895 12.267 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.730 6.692 11.160 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.562 5.625 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.161 4.141 11.132 1.00 0.00 H new ATOM 446 N PHE A 33 -0.562 4.543 8.809 1.00 0.00 N ATOM 447 CA PHE A 33 0.205 4.097 7.652 1.00 0.00 C ATOM 448 C PHE A 33 0.956 2.813 7.991 1.00 0.00 C ATOM 449 O PHE A 33 0.962 1.856 7.216 1.00 0.00 O ATOM 450 CB PHE A 33 1.184 5.195 7.223 1.00 0.00 C ATOM 451 CG PHE A 33 1.891 4.919 5.927 1.00 0.00 C ATOM 452 CD1 PHE A 33 1.258 5.156 4.718 1.00 0.00 C ATOM 453 CD2 PHE A 33 3.188 4.434 5.918 1.00 0.00 C ATOM 454 CE1 PHE A 33 1.905 4.918 3.523 1.00 0.00 C ATOM 455 CE2 PHE A 33 3.838 4.191 4.725 1.00 0.00 C ATOM 456 CZ PHE A 33 3.197 4.435 3.526 1.00 0.00 C ATOM 0 H PHE A 33 -0.251 5.432 9.201 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.475 3.894 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.641 6.136 7.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.928 5.330 8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.245 5.532 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.695 4.244 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.401 5.109 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.848 3.810 4.729 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.707 4.248 2.592 1.00 0.00 H new ATOM 466 N ASP A 34 1.576 2.800 9.165 1.00 0.00 N ATOM 467 CA ASP A 34 2.280 1.621 9.663 1.00 0.00 C ATOM 468 C ASP A 34 1.325 0.436 9.791 1.00 0.00 C ATOM 469 O ASP A 34 1.606 -0.660 9.297 1.00 0.00 O ATOM 470 CB ASP A 34 2.925 1.941 11.015 1.00 0.00 C ATOM 471 CG ASP A 34 3.454 0.716 11.739 1.00 0.00 C ATOM 472 OD1 ASP A 34 4.505 0.182 11.339 1.00 0.00 O ATOM 473 OD2 ASP A 34 2.842 0.312 12.748 1.00 0.00 O ATOM 0 H ASP A 34 1.606 3.600 9.796 1.00 0.00 H new ATOM 0 HA ASP A 34 3.060 1.348 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.744 2.644 10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.192 2.440 11.649 1.00 0.00 H new ATOM 478 N ASP A 35 0.183 0.675 10.435 1.00 0.00 N ATOM 479 CA ASP A 35 -0.857 -0.344 10.577 1.00 0.00 C ATOM 480 C ASP A 35 -1.290 -0.865 9.211 1.00 0.00 C ATOM 481 O ASP A 35 -1.501 -2.068 9.028 1.00 0.00 O ATOM 482 CB ASP A 35 -2.064 0.235 11.325 1.00 0.00 C ATOM 483 CG ASP A 35 -3.230 -0.735 11.429 1.00 0.00 C ATOM 484 OD1 ASP A 35 -3.122 -1.722 12.189 1.00 0.00 O ATOM 485 OD2 ASP A 35 -4.274 -0.493 10.781 1.00 0.00 O ATOM 0 H ASP A 35 -0.046 1.569 10.868 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.448 -1.176 11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.754 0.528 12.328 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.398 1.140 10.817 1.00 0.00 H new ATOM 490 N ALA A 36 -1.407 0.048 8.256 1.00 0.00 N ATOM 491 CA ALA A 36 -1.803 -0.296 6.899 1.00 0.00 C ATOM 492 C ALA A 36 -0.800 -1.240 6.250 1.00 0.00 C ATOM 493 O ALA A 36 -1.161 -2.345 5.842 1.00 0.00 O ATOM 494 CB ALA A 36 -1.967 0.962 6.058 1.00 0.00 C ATOM 0 H ALA A 36 -1.231 1.042 8.400 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.762 -0.812 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.263 0.687 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.734 1.598 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.021 1.503 6.025 1.00 0.00 H new ATOM 500 N VAL A 37 0.457 -0.811 6.184 1.00 0.00 N ATOM 501 CA VAL A 37 1.505 -1.576 5.511 1.00 0.00 C ATOM 502 C VAL A 37 1.649 -2.977 6.100 1.00 0.00 C ATOM 503 O VAL A 37 1.679 -3.964 5.367 1.00 0.00 O ATOM 504 CB VAL A 37 2.868 -0.851 5.579 1.00 0.00 C ATOM 505 CG1 VAL A 37 3.950 -1.666 4.886 1.00 0.00 C ATOM 506 CG2 VAL A 37 2.769 0.533 4.961 1.00 0.00 C ATOM 0 H VAL A 37 0.777 0.068 6.591 1.00 0.00 H new ATOM 0 HA VAL A 37 1.201 -1.664 4.468 1.00 0.00 H new ATOM 0 HB VAL A 37 3.141 -0.743 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.900 -1.135 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.044 -2.636 5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.682 -1.811 3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.739 1.027 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.468 0.445 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.029 1.122 5.503 1.00 0.00 H new ATOM 516 N ASN A 38 1.710 -3.062 7.424 1.00 0.00 N ATOM 517 CA ASN A 38 1.898 -4.343 8.106 1.00 0.00 C ATOM 518 C ASN A 38 0.767 -5.317 7.785 1.00 0.00 C ATOM 519 O ASN A 38 0.997 -6.510 7.598 1.00 0.00 O ATOM 520 CB ASN A 38 1.997 -4.130 9.618 1.00 0.00 C ATOM 521 CG ASN A 38 3.287 -3.437 10.016 1.00 0.00 C ATOM 522 OD1 ASN A 38 4.333 -3.651 9.403 1.00 0.00 O ATOM 523 ND2 ASN A 38 3.223 -2.598 11.038 1.00 0.00 N ATOM 0 H ASN A 38 1.632 -2.260 8.049 1.00 0.00 H new ATOM 0 HA ASN A 38 2.829 -4.779 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.148 -3.536 9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.933 -5.093 10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.060 -2.101 11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.337 -2.448 11.520 1.00 0.00 H new ATOM 530 N PHE A 39 -0.449 -4.797 7.710 1.00 0.00 N ATOM 531 CA PHE A 39 -1.620 -5.610 7.387 1.00 0.00 C ATOM 532 C PHE A 39 -1.607 -6.020 5.917 1.00 0.00 C ATOM 533 O PHE A 39 -1.903 -7.166 5.579 1.00 0.00 O ATOM 534 CB PHE A 39 -2.886 -4.819 7.722 1.00 0.00 C ATOM 535 CG PHE A 39 -4.183 -5.427 7.256 1.00 0.00 C ATOM 536 CD1 PHE A 39 -4.580 -6.684 7.673 1.00 0.00 C ATOM 537 CD2 PHE A 39 -5.023 -4.710 6.419 1.00 0.00 C ATOM 538 CE1 PHE A 39 -5.788 -7.217 7.262 1.00 0.00 C ATOM 539 CE2 PHE A 39 -6.230 -5.234 6.003 1.00 0.00 C ATOM 540 CZ PHE A 39 -6.616 -6.490 6.427 1.00 0.00 C ATOM 0 H PHE A 39 -0.655 -3.811 7.869 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.600 -6.524 7.981 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.935 -4.690 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.796 -3.824 7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.939 -7.256 8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.728 -3.725 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.085 -8.201 7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.871 -4.663 5.348 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.561 -6.903 6.108 1.00 0.00 H new ATOM 550 N LEU A 40 -1.240 -5.087 5.050 1.00 0.00 N ATOM 551 CA LEU A 40 -1.209 -5.347 3.617 1.00 0.00 C ATOM 552 C LEU A 40 -0.119 -6.359 3.272 1.00 0.00 C ATOM 553 O LEU A 40 -0.306 -7.218 2.410 1.00 0.00 O ATOM 554 CB LEU A 40 -0.989 -4.044 2.849 1.00 0.00 C ATOM 555 CG LEU A 40 -2.082 -2.988 3.037 1.00 0.00 C ATOM 556 CD1 LEU A 40 -1.713 -1.704 2.310 1.00 0.00 C ATOM 557 CD2 LEU A 40 -3.426 -3.513 2.550 1.00 0.00 C ATOM 0 H LEU A 40 -0.959 -4.142 5.314 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.170 -5.770 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.035 -3.616 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.908 -4.275 1.787 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.167 -2.768 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.501 -0.965 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.775 -1.317 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.598 -1.909 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.189 -2.748 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.357 -3.764 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.696 -4.404 3.117 1.00 0.00 H new ATOM 569 N LYS A 41 1.014 -6.258 3.952 1.00 0.00 N ATOM 570 CA LYS A 41 2.120 -7.183 3.739 1.00 0.00 C ATOM 571 C LYS A 41 1.747 -8.566 4.270 1.00 0.00 C ATOM 572 O LYS A 41 2.072 -9.584 3.660 1.00 0.00 O ATOM 573 CB LYS A 41 3.387 -6.656 4.436 1.00 0.00 C ATOM 574 CG LYS A 41 4.696 -7.280 3.947 1.00 0.00 C ATOM 575 CD LYS A 41 4.881 -8.708 4.438 1.00 0.00 C ATOM 576 CE LYS A 41 6.140 -9.335 3.867 1.00 0.00 C ATOM 577 NZ LYS A 41 6.261 -10.774 4.224 1.00 0.00 N ATOM 0 H LYS A 41 1.193 -5.543 4.658 1.00 0.00 H new ATOM 0 HA LYS A 41 2.323 -7.264 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.440 -5.577 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.295 -6.832 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.715 -7.269 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.534 -6.671 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.931 -8.716 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.015 -9.306 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.136 -9.230 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.012 -8.796 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.135 -11.161 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.291 -10.874 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.442 -11.295 3.850 1.00 0.00 H new ATOM 591 N ARG A 42 1.043 -8.583 5.398 1.00 0.00 N ATOM 592 CA ARG A 42 0.679 -9.824 6.075 1.00 0.00 C ATOM 593 C ARG A 42 -0.103 -10.754 5.152 1.00 0.00 C ATOM 594 O ARG A 42 0.330 -11.873 4.865 1.00 0.00 O ATOM 595 CB ARG A 42 -0.158 -9.511 7.314 1.00 0.00 C ATOM 596 CG ARG A 42 -0.272 -10.669 8.285 1.00 0.00 C ATOM 597 CD ARG A 42 -1.310 -10.395 9.358 1.00 0.00 C ATOM 598 NE ARG A 42 -1.155 -9.068 9.962 1.00 0.00 N ATOM 599 CZ ARG A 42 -1.190 -8.847 11.275 1.00 0.00 C ATOM 600 NH1 ARG A 42 -1.241 -9.872 12.119 1.00 0.00 N ATOM 601 NH2 ARG A 42 -1.145 -7.606 11.747 1.00 0.00 N ATOM 0 H ARG A 42 0.710 -7.741 5.867 1.00 0.00 H new ATOM 0 HA ARG A 42 1.599 -10.330 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.281 -8.658 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.158 -9.213 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.539 -11.576 7.742 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.696 -10.851 8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.307 -10.480 8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.234 -11.156 10.135 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.013 -8.270 9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.253 -10.827 11.761 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.268 -9.704 13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.083 -6.817 11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.172 -7.442 12.753 1.00 0.00 H new ATOM 615 N GLU A 43 -1.249 -10.276 4.687 1.00 0.00 N ATOM 616 CA GLU A 43 -2.120 -11.064 3.823 1.00 0.00 C ATOM 617 C GLU A 43 -1.520 -11.228 2.428 1.00 0.00 C ATOM 618 O GLU A 43 -1.745 -12.241 1.761 1.00 0.00 O ATOM 619 CB GLU A 43 -3.506 -10.424 3.748 1.00 0.00 C ATOM 620 CG GLU A 43 -4.444 -10.855 4.872 1.00 0.00 C ATOM 621 CD GLU A 43 -3.785 -10.863 6.238 1.00 0.00 C ATOM 622 OE1 GLU A 43 -3.773 -9.811 6.906 1.00 0.00 O ATOM 623 OE2 GLU A 43 -3.280 -11.931 6.650 1.00 0.00 O ATOM 0 H GLU A 43 -1.599 -9.341 4.895 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.217 -12.060 4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.397 -9.340 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.961 -10.676 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.303 -10.184 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.825 -11.853 4.655 1.00 0.00 H new ATOM 630 N GLY A 44 -0.750 -10.238 1.992 1.00 0.00 N ATOM 631 CA GLY A 44 -0.057 -10.351 0.723 1.00 0.00 C ATOM 632 C GLY A 44 -0.637 -9.462 -0.359 1.00 0.00 C ATOM 633 O GLY A 44 -1.038 -9.940 -1.422 1.00 0.00 O ATOM 0 H GLY A 44 -0.594 -9.363 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.993 -10.098 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.092 -11.388 0.389 1.00 0.00 H new ATOM 637 N TYR A 45 -0.692 -8.166 -0.088 1.00 0.00 N ATOM 638 CA TYR A 45 -1.117 -7.196 -1.089 1.00 0.00 C ATOM 639 C TYR A 45 0.089 -6.466 -1.667 1.00 0.00 C ATOM 640 O TYR A 45 0.052 -5.990 -2.803 1.00 0.00 O ATOM 641 CB TYR A 45 -2.114 -6.197 -0.495 1.00 0.00 C ATOM 642 CG TYR A 45 -3.449 -6.813 -0.137 1.00 0.00 C ATOM 643 CD1 TYR A 45 -4.327 -7.230 -1.130 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.828 -6.986 1.191 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.545 -7.795 -0.812 1.00 0.00 C ATOM 646 CE2 TYR A 45 -5.046 -7.553 1.514 1.00 0.00 C ATOM 647 CZ TYR A 45 -5.899 -7.955 0.510 1.00 0.00 C ATOM 648 OH TYR A 45 -7.112 -8.520 0.828 1.00 0.00 O ATOM 0 H TYR A 45 -0.448 -7.761 0.816 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.617 -7.735 -1.894 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.679 -5.750 0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.276 -5.390 -1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.052 -7.110 -2.167 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.161 -6.673 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.218 -8.110 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.328 -7.680 2.549 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.208 -8.562 1.802 1.00 0.00 H new ATOM 658 N ILE A 46 1.160 -6.389 -0.885 1.00 0.00 N ATOM 659 CA ILE A 46 2.401 -5.770 -1.332 1.00 0.00 C ATOM 660 C ILE A 46 3.610 -6.527 -0.793 1.00 0.00 C ATOM 661 O ILE A 46 3.588 -7.029 0.332 1.00 0.00 O ATOM 662 CB ILE A 46 2.497 -4.273 -0.930 1.00 0.00 C ATOM 663 CG1 ILE A 46 1.856 -4.006 0.438 1.00 0.00 C ATOM 664 CG2 ILE A 46 1.860 -3.396 -1.989 1.00 0.00 C ATOM 665 CD1 ILE A 46 2.742 -4.342 1.615 1.00 0.00 C ATOM 0 H ILE A 46 1.193 -6.751 0.068 1.00 0.00 H new ATOM 0 HA ILE A 46 2.397 -5.821 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 46 3.555 -4.025 -0.852 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.577 -2.954 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.935 -4.585 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.937 -2.351 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.375 -3.541 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.810 -3.665 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.213 -4.124 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.001 -5.400 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.652 -3.744 1.567 1.00 0.00 H new ATOM 677 N ILE A 47 4.647 -6.633 -1.612 1.00 0.00 N ATOM 678 CA ILE A 47 5.893 -7.265 -1.199 1.00 0.00 C ATOM 679 C ILE A 47 7.063 -6.336 -1.497 1.00 0.00 C ATOM 680 O ILE A 47 6.916 -5.369 -2.242 1.00 0.00 O ATOM 681 CB ILE A 47 6.148 -8.639 -1.881 1.00 0.00 C ATOM 682 CG1 ILE A 47 6.362 -8.500 -3.401 1.00 0.00 C ATOM 683 CG2 ILE A 47 5.004 -9.605 -1.588 1.00 0.00 C ATOM 684 CD1 ILE A 47 5.100 -8.242 -4.201 1.00 0.00 C ATOM 0 H ILE A 47 4.650 -6.287 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 47 5.803 -7.452 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 47 7.068 -9.043 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.063 -7.685 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.831 -9.411 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.201 -10.561 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.922 -9.755 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.071 -9.190 -1.969 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.350 -8.159 -5.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.403 -9.067 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.639 -7.314 -3.863 1.00 0.00 H new ATOM 696 N GLY A 48 8.214 -6.622 -0.905 1.00 0.00 N ATOM 697 CA GLY A 48 9.386 -5.797 -1.122 1.00 0.00 C ATOM 698 C GLY A 48 9.456 -4.655 -0.133 1.00 0.00 C ATOM 699 O GLY A 48 10.111 -3.640 -0.379 1.00 0.00 O ATOM 0 H GLY A 48 8.358 -7.413 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.283 -6.409 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.369 -5.399 -2.137 1.00 0.00 H new ATOM 703 N VAL A 49 8.780 -4.823 0.993 1.00 0.00 N ATOM 704 CA VAL A 49 8.729 -3.788 2.010 1.00 0.00 C ATOM 705 C VAL A 49 10.056 -3.710 2.756 1.00 0.00 C ATOM 706 O VAL A 49 10.635 -4.732 3.131 1.00 0.00 O ATOM 707 CB VAL A 49 7.583 -4.039 3.014 1.00 0.00 C ATOM 708 CG1 VAL A 49 7.521 -2.932 4.058 1.00 0.00 C ATOM 709 CG2 VAL A 49 6.254 -4.159 2.285 1.00 0.00 C ATOM 0 H VAL A 49 8.259 -5.669 1.224 1.00 0.00 H new ATOM 0 HA VAL A 49 8.541 -2.840 1.505 1.00 0.00 H new ATOM 0 HB VAL A 49 7.783 -4.979 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.706 -3.133 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.463 -2.895 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.350 -1.975 3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.457 -4.336 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.053 -3.236 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.298 -4.991 1.583 1.00 0.00 H new ATOM 719 N HIS A 50 10.543 -2.496 2.953 1.00 0.00 N ATOM 720 CA HIS A 50 11.800 -2.288 3.649 1.00 0.00 C ATOM 721 C HIS A 50 11.558 -2.154 5.144 1.00 0.00 C ATOM 722 O HIS A 50 10.985 -1.167 5.605 1.00 0.00 O ATOM 723 CB HIS A 50 12.512 -1.035 3.125 1.00 0.00 C ATOM 724 CG HIS A 50 13.069 -1.164 1.739 1.00 0.00 C ATOM 725 ND1 HIS A 50 14.418 -1.088 1.465 1.00 0.00 N ATOM 726 CD2 HIS A 50 12.457 -1.326 0.538 1.00 0.00 C ATOM 727 CE1 HIS A 50 14.611 -1.196 0.166 1.00 0.00 C ATOM 728 NE2 HIS A 50 13.440 -1.340 -0.422 1.00 0.00 N ATOM 0 H HIS A 50 10.086 -1.640 2.640 1.00 0.00 H new ATOM 0 HA HIS A 50 12.437 -3.153 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.811 -0.201 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.325 -0.784 3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.395 -1.425 0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 50 15.568 -1.171 -0.333 1.00 0.00 H new ATOM 0 HE2 HIS A 50 13.288 -1.445 -1.425 1.00 0.00 H new ATOM 737 N TYR A 51 11.973 -3.155 5.898 1.00 0.00 N ATOM 738 CA TYR A 51 11.873 -3.098 7.344 1.00 0.00 C ATOM 739 C TYR A 51 13.184 -2.612 7.942 1.00 0.00 C ATOM 740 O TYR A 51 14.236 -3.226 7.756 1.00 0.00 O ATOM 741 CB TYR A 51 11.482 -4.459 7.921 1.00 0.00 C ATOM 742 CG TYR A 51 9.994 -4.731 7.863 1.00 0.00 C ATOM 743 CD1 TYR A 51 9.410 -5.315 6.746 1.00 0.00 C ATOM 744 CD2 TYR A 51 9.169 -4.397 8.932 1.00 0.00 C ATOM 745 CE1 TYR A 51 8.049 -5.557 6.697 1.00 0.00 C ATOM 746 CE2 TYR A 51 7.810 -4.637 8.890 1.00 0.00 C ATOM 747 CZ TYR A 51 7.254 -5.215 7.770 1.00 0.00 C ATOM 748 OH TYR A 51 5.899 -5.453 7.724 1.00 0.00 O ATOM 0 H TYR A 51 12.382 -4.016 5.534 1.00 0.00 H new ATOM 0 HA TYR A 51 11.088 -2.389 7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 51 12.009 -5.242 7.375 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.814 -4.515 8.958 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.028 -5.584 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.600 -3.941 9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.611 -6.012 5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.186 -4.373 9.731 1.00 0.00 H new ATOM 0 HH TYR A 51 5.435 -4.813 8.302 1.00 0.00 H new ATOM 758 N SER A 52 13.112 -1.501 8.654 1.00 0.00 N ATOM 759 CA SER A 52 14.294 -0.868 9.215 1.00 0.00 C ATOM 760 C SER A 52 14.450 -1.266 10.685 1.00 0.00 C ATOM 761 O SER A 52 14.978 -0.502 11.497 1.00 0.00 O ATOM 762 CB SER A 52 14.158 0.653 9.071 1.00 0.00 C ATOM 763 OG SER A 52 15.393 1.316 9.267 1.00 0.00 O ATOM 0 H SER A 52 12.239 -1.015 8.859 1.00 0.00 H new ATOM 0 HA SER A 52 15.185 -1.198 8.680 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.772 0.890 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.430 1.022 9.793 1.00 0.00 H new ATOM 0 HG SER A 52 15.811 0.992 10.092 1.00 0.00 H new ATOM 769 N ASP A 53 13.981 -2.478 11.000 1.00 0.00 N ATOM 770 CA ASP A 53 13.974 -3.029 12.364 1.00 0.00 C ATOM 771 C ASP A 53 12.927 -2.334 13.229 1.00 0.00 C ATOM 772 O ASP A 53 12.163 -2.990 13.936 1.00 0.00 O ATOM 773 CB ASP A 53 15.352 -2.950 13.031 1.00 0.00 C ATOM 774 CG ASP A 53 15.355 -3.572 14.415 1.00 0.00 C ATOM 775 OD1 ASP A 53 15.362 -4.819 14.513 1.00 0.00 O ATOM 776 OD2 ASP A 53 15.359 -2.818 15.413 1.00 0.00 O ATOM 0 H ASP A 53 13.589 -3.115 10.306 1.00 0.00 H new ATOM 0 HA ASP A 53 13.714 -4.084 12.274 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.086 -3.457 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.660 -1.907 13.103 1.00 0.00 H new ATOM 781 N ASP A 54 12.904 -1.010 13.171 1.00 0.00 N ATOM 782 CA ASP A 54 11.884 -0.226 13.852 1.00 0.00 C ATOM 783 C ASP A 54 10.518 -0.489 13.236 1.00 0.00 C ATOM 784 O ASP A 54 9.692 -1.209 13.796 1.00 0.00 O ATOM 785 CB ASP A 54 12.188 1.274 13.756 1.00 0.00 C ATOM 786 CG ASP A 54 13.483 1.674 14.429 1.00 0.00 C ATOM 787 OD1 ASP A 54 13.466 1.951 15.642 1.00 0.00 O ATOM 788 OD2 ASP A 54 14.520 1.748 13.735 1.00 0.00 O ATOM 0 H ASP A 54 13.585 -0.453 12.655 1.00 0.00 H new ATOM 0 HA ASP A 54 11.883 -0.525 14.900 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.231 1.561 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.367 1.832 14.206 1.00 0.00 H new ATOM 793 N ARG A 55 10.297 0.094 12.065 1.00 0.00 N ATOM 794 CA ARG A 55 9.009 0.012 11.391 1.00 0.00 C ATOM 795 C ARG A 55 9.222 -0.135 9.885 1.00 0.00 C ATOM 796 O ARG A 55 10.328 0.103 9.390 1.00 0.00 O ATOM 797 CB ARG A 55 8.183 1.275 11.679 1.00 0.00 C ATOM 798 CG ARG A 55 8.135 1.656 13.151 1.00 0.00 C ATOM 799 CD ARG A 55 7.190 2.814 13.408 1.00 0.00 C ATOM 800 NE ARG A 55 5.797 2.382 13.478 1.00 0.00 N ATOM 801 CZ ARG A 55 4.871 3.001 14.205 1.00 0.00 C ATOM 802 NH1 ARG A 55 5.185 4.100 14.880 1.00 0.00 N ATOM 803 NH2 ARG A 55 3.638 2.522 14.263 1.00 0.00 N ATOM 0 H ARG A 55 11.000 0.633 11.559 1.00 0.00 H new ATOM 0 HA ARG A 55 8.468 -0.858 11.764 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.600 2.107 11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.165 1.122 11.320 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.820 0.794 13.738 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.136 1.923 13.489 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.464 3.304 14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.300 3.554 12.615 1.00 0.00 H new ATOM 0 HE ARG A 55 5.519 1.561 12.940 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.135 4.469 14.841 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.476 4.576 15.438 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.395 1.675 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.931 3.000 14.822 1.00 0.00 H new ATOM 817 N PRO A 56 8.180 -0.548 9.143 1.00 0.00 N ATOM 818 CA PRO A 56 8.234 -0.629 7.681 1.00 0.00 C ATOM 819 C PRO A 56 8.371 0.744 7.035 1.00 0.00 C ATOM 820 O PRO A 56 7.742 1.715 7.459 1.00 0.00 O ATOM 821 CB PRO A 56 6.889 -1.253 7.296 1.00 0.00 C ATOM 822 CG PRO A 56 5.992 -0.974 8.450 1.00 0.00 C ATOM 823 CD PRO A 56 6.874 -0.985 9.666 1.00 0.00 C ATOM 0 HA PRO A 56 9.097 -1.203 7.344 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.499 -0.815 6.378 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.986 -2.325 7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.496 -0.010 8.336 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.209 -1.728 8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.504 -0.310 10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.931 -1.978 10.112 1.00 0.00 H new ATOM 831 N HIS A 57 9.210 0.827 6.021 1.00 0.00 N ATOM 832 CA HIS A 57 9.354 2.047 5.247 1.00 0.00 C ATOM 833 C HIS A 57 9.320 1.722 3.760 1.00 0.00 C ATOM 834 O HIS A 57 9.749 0.647 3.336 1.00 0.00 O ATOM 835 CB HIS A 57 10.652 2.784 5.602 1.00 0.00 C ATOM 836 CG HIS A 57 10.582 3.561 6.883 1.00 0.00 C ATOM 837 ND1 HIS A 57 10.287 4.911 6.933 1.00 0.00 N ATOM 838 CD2 HIS A 57 10.774 3.177 8.169 1.00 0.00 C ATOM 839 CE1 HIS A 57 10.305 5.319 8.189 1.00 0.00 C ATOM 840 NE2 HIS A 57 10.598 4.288 8.957 1.00 0.00 N ATOM 0 H HIS A 57 9.806 0.059 5.712 1.00 0.00 H new ATOM 0 HA HIS A 57 8.521 2.706 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.462 2.058 5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.905 3.465 4.789 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.020 2.182 8.510 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.112 6.326 8.529 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.681 4.312 9.973 1.00 0.00 H new ATOM 849 N LEU A 58 8.802 2.652 2.979 1.00 0.00 N ATOM 850 CA LEU A 58 8.682 2.475 1.545 1.00 0.00 C ATOM 851 C LEU A 58 9.641 3.416 0.840 1.00 0.00 C ATOM 852 O LEU A 58 9.592 4.629 1.041 1.00 0.00 O ATOM 853 CB LEU A 58 7.235 2.718 1.100 1.00 0.00 C ATOM 854 CG LEU A 58 6.198 1.823 1.786 1.00 0.00 C ATOM 855 CD1 LEU A 58 4.804 2.127 1.271 1.00 0.00 C ATOM 856 CD2 LEU A 58 6.532 0.352 1.583 1.00 0.00 C ATOM 0 H LEU A 58 8.454 3.548 3.320 1.00 0.00 H new ATOM 0 HA LEU A 58 8.942 1.451 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.980 3.760 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.170 2.567 0.022 1.00 0.00 H new ATOM 0 HG LEU A 58 6.224 2.034 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.082 1.481 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.560 3.169 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.766 1.950 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.781 -0.263 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.541 0.125 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.513 0.140 2.007 1.00 0.00 H new ATOM 868 N TYR A 59 10.534 2.844 0.046 1.00 0.00 N ATOM 869 CA TYR A 59 11.566 3.615 -0.631 1.00 0.00 C ATOM 870 C TYR A 59 11.389 3.545 -2.140 1.00 0.00 C ATOM 871 O TYR A 59 10.345 3.113 -2.625 1.00 0.00 O ATOM 872 CB TYR A 59 12.958 3.121 -0.228 1.00 0.00 C ATOM 873 CG TYR A 59 13.277 3.360 1.232 1.00 0.00 C ATOM 874 CD1 TYR A 59 13.631 4.624 1.685 1.00 0.00 C ATOM 875 CD2 TYR A 59 13.209 2.328 2.155 1.00 0.00 C ATOM 876 CE1 TYR A 59 13.910 4.850 3.021 1.00 0.00 C ATOM 877 CE2 TYR A 59 13.490 2.544 3.491 1.00 0.00 C ATOM 878 CZ TYR A 59 13.838 3.806 3.919 1.00 0.00 C ATOM 879 OH TYR A 59 14.108 4.025 5.251 1.00 0.00 O ATOM 0 H TYR A 59 10.564 1.843 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 59 11.469 4.657 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.033 2.054 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.706 3.621 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.689 5.443 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.932 1.338 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.183 5.839 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.437 1.727 4.196 1.00 0.00 H new ATOM 0 HH TYR A 59 14.011 3.185 5.747 1.00 0.00 H new ATOM 889 N LYS A 60 12.416 3.969 -2.866 1.00 0.00 N ATOM 890 CA LYS A 60 12.351 4.092 -4.317 1.00 0.00 C ATOM 891 C LYS A 60 12.095 2.742 -4.980 1.00 0.00 C ATOM 892 O LYS A 60 11.186 2.605 -5.794 1.00 0.00 O ATOM 893 CB LYS A 60 13.655 4.695 -4.843 1.00 0.00 C ATOM 894 CG LYS A 60 14.021 6.019 -4.188 1.00 0.00 C ATOM 895 CD LYS A 60 15.308 6.590 -4.761 1.00 0.00 C ATOM 896 CE LYS A 60 15.160 6.925 -6.237 1.00 0.00 C ATOM 897 NZ LYS A 60 14.080 7.918 -6.478 1.00 0.00 N ATOM 0 H LYS A 60 13.316 4.237 -2.467 1.00 0.00 H new ATOM 0 HA LYS A 60 11.518 4.749 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.465 3.984 -4.683 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.569 4.843 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.210 6.733 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.133 5.875 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.586 7.488 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.117 5.871 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.104 7.317 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.946 6.014 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.154 8.283 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.154 7.462 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.175 8.705 -5.805 1.00 0.00 H new ATOM 911 N LEU A 61 12.898 1.752 -4.628 1.00 0.00 N ATOM 912 CA LEU A 61 12.765 0.424 -5.209 1.00 0.00 C ATOM 913 C LEU A 61 12.476 -0.595 -4.122 1.00 0.00 C ATOM 914 O LEU A 61 13.119 -0.592 -3.066 1.00 0.00 O ATOM 915 CB LEU A 61 14.032 0.013 -5.975 1.00 0.00 C ATOM 916 CG LEU A 61 14.315 0.781 -7.273 1.00 0.00 C ATOM 917 CD1 LEU A 61 14.885 2.160 -6.983 1.00 0.00 C ATOM 918 CD2 LEU A 61 15.267 -0.006 -8.157 1.00 0.00 C ATOM 0 H LEU A 61 13.649 1.841 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 61 11.935 0.454 -5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.888 0.133 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.960 -1.048 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 61 13.369 0.910 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.075 2.680 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.171 2.731 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.818 2.059 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.458 0.552 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.206 -0.166 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.821 -0.969 -8.405 1.00 0.00 H new ATOM 930 N GLY A 62 11.505 -1.456 -4.369 1.00 0.00 N ATOM 931 CA GLY A 62 11.176 -2.486 -3.411 1.00 0.00 C ATOM 932 C GLY A 62 9.700 -2.819 -3.395 1.00 0.00 C ATOM 933 O GLY A 62 9.310 -3.902 -3.834 1.00 0.00 O ATOM 0 H GLY A 62 10.938 -1.460 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.745 -3.387 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.482 -2.162 -2.416 1.00 0.00 H new ATOM 937 N PRO A 63 8.855 -1.897 -2.902 1.00 0.00 N ATOM 938 CA PRO A 63 7.420 -2.141 -2.736 1.00 0.00 C ATOM 939 C PRO A 63 6.703 -2.397 -4.056 1.00 0.00 C ATOM 940 O PRO A 63 6.514 -1.490 -4.871 1.00 0.00 O ATOM 941 CB PRO A 63 6.896 -0.855 -2.086 1.00 0.00 C ATOM 942 CG PRO A 63 8.105 -0.170 -1.547 1.00 0.00 C ATOM 943 CD PRO A 63 9.227 -0.542 -2.466 1.00 0.00 C ATOM 0 HA PRO A 63 7.241 -3.037 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.379 -0.228 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.182 -1.077 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.963 0.910 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.313 -0.490 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.306 0.146 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.189 -0.532 -1.954 1.00 0.00 H new ATOM 951 N GLU A 64 6.324 -3.643 -4.266 1.00 0.00 N ATOM 952 CA GLU A 64 5.549 -4.024 -5.428 1.00 0.00 C ATOM 953 C GLU A 64 4.185 -4.530 -5.005 1.00 0.00 C ATOM 954 O GLU A 64 4.062 -5.231 -4.000 1.00 0.00 O ATOM 955 CB GLU A 64 6.273 -5.105 -6.234 1.00 0.00 C ATOM 956 CG GLU A 64 7.448 -4.582 -7.038 1.00 0.00 C ATOM 957 CD GLU A 64 7.036 -3.499 -8.016 1.00 0.00 C ATOM 958 OE1 GLU A 64 5.871 -3.509 -8.468 1.00 0.00 O ATOM 959 OE2 GLU A 64 7.876 -2.633 -8.338 1.00 0.00 O ATOM 0 H GLU A 64 6.544 -4.416 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 64 5.426 -3.143 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.626 -5.879 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.562 -5.578 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.204 -4.188 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.908 -5.406 -7.583 1.00 0.00 H new ATOM 966 N LEU A 65 3.161 -4.162 -5.756 1.00 0.00 N ATOM 967 CA LEU A 65 1.829 -4.688 -5.521 1.00 0.00 C ATOM 968 C LEU A 65 1.751 -6.116 -6.038 1.00 0.00 C ATOM 969 O LEU A 65 2.372 -6.444 -7.049 1.00 0.00 O ATOM 970 CB LEU A 65 0.777 -3.836 -6.228 1.00 0.00 C ATOM 971 CG LEU A 65 -0.349 -3.327 -5.333 1.00 0.00 C ATOM 972 CD1 LEU A 65 0.084 -2.078 -4.585 1.00 0.00 C ATOM 973 CD2 LEU A 65 -1.598 -3.057 -6.147 1.00 0.00 C ATOM 0 H LEU A 65 3.227 -3.503 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 65 1.632 -4.667 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.272 -2.980 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.341 -4.422 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.579 -4.101 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.733 -1.731 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.951 -2.307 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.346 -1.298 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.389 -2.695 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.383 -2.304 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.922 -3.978 -6.632 1.00 0.00 H new ATOM 985 N THR A 66 1.009 -6.959 -5.344 1.00 0.00 N ATOM 986 CA THR A 66 0.847 -8.340 -5.760 1.00 0.00 C ATOM 987 C THR A 66 -0.250 -8.455 -6.810 1.00 0.00 C ATOM 988 O THR A 66 -0.999 -7.504 -7.046 1.00 0.00 O ATOM 989 CB THR A 66 0.501 -9.249 -4.561 1.00 0.00 C ATOM 990 OG1 THR A 66 -0.721 -8.810 -3.944 1.00 0.00 O ATOM 991 CG2 THR A 66 1.625 -9.240 -3.533 1.00 0.00 C ATOM 0 H THR A 66 0.509 -6.712 -4.490 1.00 0.00 H new ATOM 0 HA THR A 66 1.796 -8.667 -6.186 1.00 0.00 H new ATOM 0 HB THR A 66 0.374 -10.266 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.856 -9.295 -3.103 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.359 -9.887 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.543 -9.603 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.778 -8.224 -3.170 1.00 0.00 H new ATOM 999 N GLU A 67 -0.339 -9.614 -7.440 1.00 0.00 N ATOM 1000 CA GLU A 67 -1.413 -9.899 -8.375 1.00 0.00 C ATOM 1001 C GLU A 67 -2.751 -9.857 -7.643 1.00 0.00 C ATOM 1002 O GLU A 67 -3.767 -9.430 -8.197 1.00 0.00 O ATOM 1003 CB GLU A 67 -1.196 -11.268 -9.015 1.00 0.00 C ATOM 1004 CG GLU A 67 -2.239 -11.634 -10.055 1.00 0.00 C ATOM 1005 CD GLU A 67 -2.030 -13.024 -10.607 1.00 0.00 C ATOM 1006 OE1 GLU A 67 -1.164 -13.193 -11.488 1.00 0.00 O ATOM 1007 OE2 GLU A 67 -2.712 -13.962 -10.149 1.00 0.00 O ATOM 0 H GLU A 67 0.326 -10.378 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.418 -9.146 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.211 -11.288 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.195 -12.027 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.232 -11.567 -9.611 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.205 -10.912 -10.871 1.00 0.00 H new ATOM 1014 N LYS A 68 -2.733 -10.292 -6.386 1.00 0.00 N ATOM 1015 CA LYS A 68 -3.902 -10.199 -5.525 1.00 0.00 C ATOM 1016 C LYS A 68 -4.311 -8.739 -5.363 1.00 0.00 C ATOM 1017 O LYS A 68 -5.479 -8.394 -5.518 1.00 0.00 O ATOM 1018 CB LYS A 68 -3.614 -10.825 -4.155 1.00 0.00 C ATOM 1019 CG LYS A 68 -4.781 -10.728 -3.181 1.00 0.00 C ATOM 1020 CD LYS A 68 -4.539 -11.554 -1.925 1.00 0.00 C ATOM 1021 CE LYS A 68 -4.510 -13.045 -2.228 1.00 0.00 C ATOM 1022 NZ LYS A 68 -5.789 -13.526 -2.821 1.00 0.00 N ATOM 0 H LYS A 68 -1.917 -10.714 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.722 -10.749 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.353 -11.874 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.745 -10.335 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.939 -9.685 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.693 -11.070 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.594 -11.257 -1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.322 -11.346 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.691 -13.258 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.308 -13.596 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.831 -14.563 -2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.590 -13.116 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.840 -13.235 -3.818 1.00 0.00 H new ATOM 1036 N GLY A 69 -3.331 -7.886 -5.070 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.595 -6.468 -4.928 1.00 0.00 C ATOM 1038 C GLY A 69 -4.048 -5.840 -6.231 1.00 0.00 C ATOM 1039 O GLY A 69 -4.922 -4.975 -6.236 1.00 0.00 O ATOM 0 H GLY A 69 -2.357 -8.155 -4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.361 -6.317 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.694 -5.965 -4.578 1.00 0.00 H new ATOM 1043 N GLU A 70 -3.458 -6.289 -7.333 1.00 0.00 N ATOM 1044 CA GLU A 70 -3.807 -5.799 -8.663 1.00 0.00 C ATOM 1045 C GLU A 70 -5.290 -6.028 -8.943 1.00 0.00 C ATOM 1046 O GLU A 70 -6.021 -5.096 -9.275 1.00 0.00 O ATOM 1047 CB GLU A 70 -2.935 -6.504 -9.713 1.00 0.00 C ATOM 1048 CG GLU A 70 -3.038 -5.934 -11.124 1.00 0.00 C ATOM 1049 CD GLU A 70 -4.183 -6.516 -11.936 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -4.041 -7.649 -12.444 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -5.223 -5.840 -12.083 1.00 0.00 O ATOM 0 H GLU A 70 -2.727 -7.000 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.620 -4.726 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.894 -6.454 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.209 -7.559 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.162 -4.853 -11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.101 -6.118 -11.650 1.00 0.00 H new ATOM 1058 N ASN A 71 -5.733 -7.268 -8.779 1.00 0.00 N ATOM 1059 CA ASN A 71 -7.129 -7.616 -9.027 1.00 0.00 C ATOM 1060 C ASN A 71 -8.041 -7.020 -7.965 1.00 0.00 C ATOM 1061 O ASN A 71 -9.200 -6.715 -8.232 1.00 0.00 O ATOM 1062 CB ASN A 71 -7.312 -9.133 -9.094 1.00 0.00 C ATOM 1063 CG ASN A 71 -6.733 -9.722 -10.363 1.00 0.00 C ATOM 1064 OD1 ASN A 71 -7.410 -9.798 -11.388 1.00 0.00 O ATOM 1065 ND2 ASN A 71 -5.486 -10.150 -10.306 1.00 0.00 N ATOM 0 H ASN A 71 -5.149 -8.048 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.407 -7.192 -9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.833 -9.594 -8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.374 -9.372 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.050 -10.562 -11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.958 -10.069 -9.437 1.00 0.00 H new ATOM 1072 N TYR A 72 -7.506 -6.843 -6.767 1.00 0.00 N ATOM 1073 CA TYR A 72 -8.253 -6.236 -5.678 1.00 0.00 C ATOM 1074 C TYR A 72 -8.535 -4.767 -6.001 1.00 0.00 C ATOM 1075 O TYR A 72 -9.556 -4.217 -5.599 1.00 0.00 O ATOM 1076 CB TYR A 72 -7.458 -6.359 -4.374 1.00 0.00 C ATOM 1077 CG TYR A 72 -8.302 -6.350 -3.117 1.00 0.00 C ATOM 1078 CD1 TYR A 72 -9.266 -7.330 -2.897 1.00 0.00 C ATOM 1079 CD2 TYR A 72 -8.131 -5.371 -2.145 1.00 0.00 C ATOM 1080 CE1 TYR A 72 -10.032 -7.332 -1.745 1.00 0.00 C ATOM 1081 CE2 TYR A 72 -8.893 -5.372 -0.991 1.00 0.00 C ATOM 1082 CZ TYR A 72 -9.841 -6.351 -0.797 1.00 0.00 C ATOM 1083 OH TYR A 72 -10.599 -6.350 0.353 1.00 0.00 O ATOM 0 H TYR A 72 -6.553 -7.113 -6.524 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.204 -6.754 -5.556 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.881 -7.283 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.743 -5.538 -4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.418 -8.101 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.392 -4.598 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.776 -8.099 -1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.745 -4.606 -0.244 1.00 0.00 H new ATOM 0 HH TYR A 72 -10.338 -5.592 0.916 1.00 0.00 H new ATOM 1093 N LEU A 73 -7.626 -4.159 -6.760 1.00 0.00 N ATOM 1094 CA LEU A 73 -7.743 -2.761 -7.165 1.00 0.00 C ATOM 1095 C LEU A 73 -8.772 -2.560 -8.273 1.00 0.00 C ATOM 1096 O LEU A 73 -9.203 -1.439 -8.513 1.00 0.00 O ATOM 1097 CB LEU A 73 -6.405 -2.200 -7.637 1.00 0.00 C ATOM 1098 CG LEU A 73 -5.388 -1.900 -6.542 1.00 0.00 C ATOM 1099 CD1 LEU A 73 -4.189 -1.180 -7.132 1.00 0.00 C ATOM 1100 CD2 LEU A 73 -6.019 -1.063 -5.441 1.00 0.00 C ATOM 0 H LEU A 73 -6.788 -4.622 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.074 -2.224 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.961 -2.910 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.593 -1.282 -8.193 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.055 -2.842 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.467 -0.969 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.724 -1.809 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.514 -0.244 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.277 -0.859 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.376 -0.122 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.857 -1.607 -5.005 1.00 0.00 H new ATOM 1112 N LYS A 74 -9.122 -3.626 -8.979 1.00 0.00 N ATOM 1113 CA LYS A 74 -10.060 -3.526 -10.096 1.00 0.00 C ATOM 1114 C LYS A 74 -11.383 -2.872 -9.673 1.00 0.00 C ATOM 1115 O LYS A 74 -12.053 -2.227 -10.480 1.00 0.00 O ATOM 1116 CB LYS A 74 -10.312 -4.903 -10.712 1.00 0.00 C ATOM 1117 CG LYS A 74 -9.148 -5.417 -11.551 1.00 0.00 C ATOM 1118 CD LYS A 74 -9.481 -6.752 -12.200 1.00 0.00 C ATOM 1119 CE LYS A 74 -8.518 -7.100 -13.330 1.00 0.00 C ATOM 1120 NZ LYS A 74 -7.158 -7.459 -12.842 1.00 0.00 N ATOM 0 H LYS A 74 -8.774 -4.568 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.604 -2.884 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.517 -5.617 -9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.205 -4.855 -11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.902 -4.687 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.264 -5.526 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.452 -7.538 -11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.499 -6.721 -12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.924 -7.933 -13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.442 -6.252 -14.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.562 -7.735 -13.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.734 -6.640 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.227 -8.254 -12.175 1.00 0.00 H new ATOM 1134 N GLU A 75 -11.751 -3.036 -8.408 1.00 0.00 N ATOM 1135 CA GLU A 75 -12.939 -2.381 -7.864 1.00 0.00 C ATOM 1136 C GLU A 75 -12.603 -0.964 -7.392 1.00 0.00 C ATOM 1137 O GLU A 75 -13.454 -0.073 -7.390 1.00 0.00 O ATOM 1138 CB GLU A 75 -13.506 -3.196 -6.703 1.00 0.00 C ATOM 1139 CG GLU A 75 -13.899 -4.612 -7.085 1.00 0.00 C ATOM 1140 CD GLU A 75 -15.178 -4.664 -7.894 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -15.158 -4.269 -9.078 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -16.210 -5.109 -7.342 1.00 0.00 O ATOM 0 H GLU A 75 -11.246 -3.616 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.688 -2.317 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.766 -3.237 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.379 -2.682 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -13.092 -5.067 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.021 -5.208 -6.180 1.00 0.00 H new ATOM 1149 N ASN A 76 -11.349 -0.771 -7.013 1.00 0.00 N ATOM 1150 CA ASN A 76 -10.860 0.505 -6.499 1.00 0.00 C ATOM 1151 C ASN A 76 -10.449 1.417 -7.650 1.00 0.00 C ATOM 1152 O ASN A 76 -9.940 2.517 -7.437 1.00 0.00 O ATOM 1153 CB ASN A 76 -9.660 0.260 -5.573 1.00 0.00 C ATOM 1154 CG ASN A 76 -9.171 1.514 -4.869 1.00 0.00 C ATOM 1155 OD1 ASN A 76 -9.944 2.416 -4.566 1.00 0.00 O ATOM 1156 ND2 ASN A 76 -7.876 1.573 -4.604 1.00 0.00 N ATOM 0 H ASN A 76 -10.635 -1.498 -7.053 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.658 0.990 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.935 -0.483 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.842 -0.162 -6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.489 2.390 -4.131 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.265 0.802 -4.872 1.00 0.00 H new ATOM 1163 N GLY A 77 -10.665 0.940 -8.874 1.00 0.00 N ATOM 1164 CA GLY A 77 -10.325 1.705 -10.060 1.00 0.00 C ATOM 1165 C GLY A 77 -10.839 3.125 -9.998 1.00 0.00 C ATOM 1166 O GLY A 77 -10.133 4.067 -10.358 1.00 0.00 O ATOM 0 H GLY A 77 -11.075 0.026 -9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.242 1.719 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.738 1.210 -10.939 1.00 0.00 H new ATOM 1170 N THR A 78 -12.058 3.286 -9.511 1.00 0.00 N ATOM 1171 CA THR A 78 -12.635 4.603 -9.372 1.00 0.00 C ATOM 1172 C THR A 78 -12.344 5.197 -7.981 1.00 0.00 C ATOM 1173 O THR A 78 -11.375 5.940 -7.835 1.00 0.00 O ATOM 1174 CB THR A 78 -14.151 4.604 -9.719 1.00 0.00 C ATOM 1175 OG1 THR A 78 -14.747 5.853 -9.353 1.00 0.00 O ATOM 1176 CG2 THR A 78 -14.898 3.444 -9.059 1.00 0.00 C ATOM 0 H THR A 78 -12.661 2.522 -9.208 1.00 0.00 H new ATOM 0 HA THR A 78 -12.154 5.257 -10.099 1.00 0.00 H new ATOM 0 HB THR A 78 -14.234 4.470 -10.797 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.278 6.584 -9.806 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.952 3.488 -9.332 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.475 2.499 -9.398 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.800 3.517 -7.976 1.00 0.00 H new ATOM 1184 N TRP A 79 -13.130 4.827 -6.960 1.00 0.00 N ATOM 1185 CA TRP A 79 -13.024 5.416 -5.617 1.00 0.00 C ATOM 1186 C TRP A 79 -12.917 6.939 -5.693 1.00 0.00 C ATOM 1187 O TRP A 79 -11.817 7.499 -5.647 1.00 0.00 O ATOM 1188 CB TRP A 79 -11.832 4.837 -4.842 1.00 0.00 C ATOM 1189 CG TRP A 79 -11.782 5.271 -3.402 1.00 0.00 C ATOM 1190 CD1 TRP A 79 -11.280 6.444 -2.915 1.00 0.00 C ATOM 1191 CD2 TRP A 79 -12.247 4.535 -2.265 1.00 0.00 C ATOM 1192 NE1 TRP A 79 -11.421 6.492 -1.552 1.00 0.00 N ATOM 1193 CE2 TRP A 79 -12.008 5.331 -1.127 1.00 0.00 C ATOM 1194 CE3 TRP A 79 -12.852 3.287 -2.099 1.00 0.00 C ATOM 1195 CZ2 TRP A 79 -12.347 4.914 0.158 1.00 0.00 C ATOM 1196 CZ3 TRP A 79 -13.185 2.874 -0.822 1.00 0.00 C ATOM 1197 CH2 TRP A 79 -12.936 3.687 0.289 1.00 0.00 C ATOM 0 H TRP A 79 -13.855 4.114 -7.041 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.936 5.159 -5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -11.876 3.749 -4.883 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -10.908 5.137 -5.336 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -10.836 7.222 -3.517 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -11.135 7.266 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -13.056 2.657 -2.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.152 5.537 1.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -13.645 1.907 -0.680 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -13.215 3.338 1.272 1.00 0.00 H new ATOM 1208 N SER A 80 -14.065 7.592 -5.854 1.00 0.00 N ATOM 1209 CA SER A 80 -14.152 9.053 -5.964 1.00 0.00 C ATOM 1210 C SER A 80 -13.571 9.552 -7.296 1.00 0.00 C ATOM 1211 O SER A 80 -14.071 10.521 -7.872 1.00 0.00 O ATOM 1212 CB SER A 80 -13.465 9.740 -4.775 1.00 0.00 C ATOM 1213 OG SER A 80 -13.766 11.125 -4.738 1.00 0.00 O ATOM 0 H SER A 80 -14.969 7.123 -5.913 1.00 0.00 H new ATOM 0 HA SER A 80 -15.209 9.320 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.786 9.271 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 80 -12.386 9.602 -4.846 1.00 0.00 H new ATOM 0 HG SER A 80 -13.317 11.537 -3.970 1.00 0.00 H new ATOM 1219 N LYS A 81 -12.526 8.890 -7.785 1.00 0.00 N ATOM 1220 CA LYS A 81 -11.956 9.205 -9.087 1.00 0.00 C ATOM 1221 C LYS A 81 -12.901 8.755 -10.192 1.00 0.00 C ATOM 1222 O LYS A 81 -12.758 7.668 -10.752 1.00 0.00 O ATOM 1223 CB LYS A 81 -10.583 8.544 -9.266 1.00 0.00 C ATOM 1224 CG LYS A 81 -9.518 9.053 -8.304 1.00 0.00 C ATOM 1225 CD LYS A 81 -8.193 8.324 -8.498 1.00 0.00 C ATOM 1226 CE LYS A 81 -7.082 8.952 -7.667 1.00 0.00 C ATOM 1227 NZ LYS A 81 -5.781 8.244 -7.832 1.00 0.00 N ATOM 0 H LYS A 81 -12.056 8.129 -7.295 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.821 10.285 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.690 7.467 -9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.243 8.709 -10.288 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.371 10.122 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.860 8.920 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.309 7.277 -8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.916 8.345 -9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.963 9.997 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.368 8.941 -6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.563 7.712 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.843 7.587 -8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.028 8.939 -8.010 1.00 0.00 H new ATOM 1241 N ALA A 82 -13.904 9.573 -10.450 1.00 0.00 N ATOM 1242 CA ALA A 82 -14.842 9.329 -11.530 1.00 0.00 C ATOM 1243 C ALA A 82 -14.931 10.558 -12.417 1.00 0.00 C ATOM 1244 O ALA A 82 -15.797 10.662 -13.286 1.00 0.00 O ATOM 1245 CB ALA A 82 -16.215 8.967 -10.975 1.00 0.00 C ATOM 0 H ALA A 82 -14.091 10.423 -9.919 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.487 8.488 -12.125 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.905 8.788 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.135 8.067 -10.366 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.588 9.788 -10.362 1.00 0.00 H new TER 1251 ALA A 82