USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 563 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 Single : A 6 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.15) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -30:sc= 0.014 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 48 ASN : amide:sc=-0.00892 K(o=-0.0089,f=-1.8!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 86:sc= 0.00598 USER MOD Single : A 70 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.34) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.248) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 96 SER OG : rot -76:sc= -1.33 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -122:sc= -0.516 (180deg=-1.72!) USER MOD Single : A 104 GLN : amide:sc= -1.91! C(o=-1.9!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 4 7.670 14.863 -12.317 1.00 1.00 N ATOM 47 CA GLU A 4 6.851 14.286 -11.256 1.00 1.00 C ATOM 48 C GLU A 4 5.370 14.386 -11.608 1.00 1.00 C ATOM 49 O GLU A 4 4.595 13.471 -11.338 1.00 1.00 O ATOM 50 CB GLU A 4 7.116 15.015 -9.939 1.00 1.00 C ATOM 51 CG GLU A 4 8.597 14.887 -9.572 1.00 1.00 C ATOM 52 CD GLU A 4 9.275 16.251 -9.666 1.00 1.00 C ATOM 53 OE1 GLU A 4 9.121 17.032 -8.741 1.00 1.00 O ATOM 54 OE2 GLU A 4 9.938 16.494 -10.661 1.00 1.00 O ATOM 0 HA GLU A 4 7.116 13.234 -11.148 1.00 1.00 H new ATOM 0 HB2 GLU A 4 6.843 16.066 -10.032 1.00 1.00 H new ATOM 0 HB3 GLU A 4 6.497 14.594 -9.147 1.00 1.00 H new ATOM 0 HG2 GLU A 4 8.697 14.490 -8.562 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.087 14.181 -10.242 1.00 1.00 H new ATOM 61 N LEU A 5 4.986 15.507 -12.211 1.00 1.00 N ATOM 62 CA LEU A 5 3.594 15.718 -12.594 1.00 1.00 C ATOM 63 C LEU A 5 3.197 14.766 -13.718 1.00 1.00 C ATOM 64 O LEU A 5 2.025 14.411 -13.857 1.00 1.00 O ATOM 65 CB LEU A 5 3.393 17.165 -13.055 1.00 1.00 C ATOM 66 CG LEU A 5 2.644 17.949 -11.974 1.00 1.00 C ATOM 67 CD1 LEU A 5 2.724 19.444 -12.283 1.00 1.00 C ATOM 68 CD2 LEU A 5 1.177 17.513 -11.948 1.00 1.00 C ATOM 0 H LEU A 5 5.613 16.277 -12.443 1.00 1.00 H new ATOM 0 HA LEU A 5 2.964 15.521 -11.726 1.00 1.00 H new ATOM 0 HB2 LEU A 5 4.358 17.631 -13.254 1.00 1.00 H new ATOM 0 HB3 LEU A 5 2.831 17.185 -13.989 1.00 1.00 H new ATOM 0 HG LEU A 5 3.098 17.752 -11.003 1.00 1.00 H new ATOM 0 HD11 LEU A 5 2.191 20.003 -11.514 1.00 1.00 H new ATOM 0 HD12 LEU A 5 3.768 19.756 -12.301 1.00 1.00 H new ATOM 0 HD13 LEU A 5 2.270 19.640 -13.254 1.00 1.00 H new ATOM 0 HD21 LEU A 5 0.645 18.072 -11.178 1.00 1.00 H new ATOM 0 HD22 LEU A 5 0.722 17.709 -12.919 1.00 1.00 H new ATOM 0 HD23 LEU A 5 1.118 16.447 -11.729 1.00 1.00 H new ATOM 80 N GLN A 6 4.176 14.356 -14.516 1.00 1.00 N ATOM 81 CA GLN A 6 3.915 13.445 -15.624 1.00 1.00 C ATOM 82 C GLN A 6 3.423 12.097 -15.107 1.00 1.00 C ATOM 83 O GLN A 6 2.521 11.490 -15.687 1.00 1.00 O ATOM 84 CB GLN A 6 5.188 13.245 -16.449 1.00 1.00 C ATOM 85 CG GLN A 6 4.832 12.613 -17.796 1.00 1.00 C ATOM 86 CD GLN A 6 4.114 13.632 -18.675 1.00 1.00 C ATOM 87 OE1 GLN A 6 4.692 14.654 -19.042 1.00 1.00 O ATOM 88 NE2 GLN A 6 2.879 13.413 -19.036 1.00 1.00 N ATOM 0 H GLN A 6 5.151 14.638 -14.418 1.00 1.00 H new ATOM 0 HA GLN A 6 3.141 13.883 -16.254 1.00 1.00 H new ATOM 0 HB2 GLN A 6 5.686 14.202 -16.605 1.00 1.00 H new ATOM 0 HB3 GLN A 6 5.887 12.606 -15.909 1.00 1.00 H new ATOM 0 HG2 GLN A 6 5.737 12.264 -18.294 1.00 1.00 H new ATOM 0 HG3 GLN A 6 4.196 11.741 -17.642 1.00 1.00 H new ATOM 0 HE21 GLN A 6 2.401 12.565 -18.731 1.00 1.00 H new ATOM 0 HE22 GLN A 6 2.392 14.090 -19.623 1.00 1.00 H new ATOM 97 N CYS A 7 4.019 11.634 -14.013 1.00 1.00 N ATOM 98 CA CYS A 7 3.631 10.356 -13.427 1.00 1.00 C ATOM 99 C CYS A 7 2.286 10.478 -12.720 1.00 1.00 C ATOM 100 O CYS A 7 1.388 9.662 -12.927 1.00 1.00 O ATOM 101 CB CYS A 7 4.695 9.892 -12.431 1.00 1.00 C ATOM 102 SG CYS A 7 5.633 8.519 -13.145 1.00 1.00 S ATOM 0 H CYS A 7 4.767 12.120 -13.518 1.00 1.00 H new ATOM 0 HA CYS A 7 3.542 9.622 -14.228 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.365 10.717 -12.188 1.00 1.00 H new ATOM 0 HB3 CYS A 7 4.224 9.579 -11.499 1.00 1.00 H new ATOM 0 HG CYS A 7 6.539 8.126 -12.299 1.00 1.00 H new ATOM 107 N ILE A 8 2.154 11.500 -11.880 1.00 1.00 N ATOM 108 CA ILE A 8 0.916 11.719 -11.141 1.00 1.00 C ATOM 109 C ILE A 8 -0.273 11.802 -12.093 1.00 1.00 C ATOM 110 O ILE A 8 -1.380 11.384 -11.752 1.00 1.00 O ATOM 111 CB ILE A 8 1.014 13.014 -10.334 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.958 12.803 -9.147 1.00 1.00 C ATOM 113 CG2 ILE A 8 -0.372 13.400 -9.817 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.619 14.133 -8.779 1.00 1.00 C ATOM 0 H ILE A 8 2.885 12.186 -11.695 1.00 1.00 H new ATOM 0 HA ILE A 8 0.766 10.877 -10.465 1.00 1.00 H new ATOM 0 HB ILE A 8 1.399 13.810 -10.971 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.405 12.411 -8.294 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.719 12.064 -9.400 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.302 14.323 -9.242 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.047 13.548 -10.660 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.757 12.604 -9.180 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.291 13.984 -7.934 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.186 14.506 -9.632 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.852 14.858 -8.508 1.00 1.00 H new ATOM 126 N ARG A 9 -0.039 12.344 -13.283 1.00 1.00 N ATOM 127 CA ARG A 9 -1.104 12.476 -14.271 1.00 1.00 C ATOM 128 C ARG A 9 -1.698 11.109 -14.603 1.00 1.00 C ATOM 129 O ARG A 9 -2.913 10.966 -14.728 1.00 1.00 O ATOM 130 CB ARG A 9 -0.557 13.120 -15.546 1.00 1.00 C ATOM 131 CG ARG A 9 -1.717 13.677 -16.375 1.00 1.00 C ATOM 132 CD ARG A 9 -1.219 14.026 -17.779 1.00 1.00 C ATOM 133 NE ARG A 9 -1.344 12.871 -18.660 1.00 1.00 N ATOM 134 CZ ARG A 9 -0.798 12.870 -19.872 1.00 1.00 C ATOM 135 NH1 ARG A 9 -0.137 13.915 -20.291 1.00 1.00 N ATOM 136 NH2 ARG A 9 -0.922 11.825 -20.643 1.00 1.00 N ATOM 0 H ARG A 9 0.869 12.696 -13.585 1.00 1.00 H new ATOM 0 HA ARG A 9 -1.887 13.109 -13.852 1.00 1.00 H new ATOM 0 HB2 ARG A 9 0.139 13.919 -15.292 1.00 1.00 H new ATOM 0 HB3 ARG A 9 -0.001 12.385 -16.128 1.00 1.00 H new ATOM 0 HG2 ARG A 9 -2.521 12.943 -16.435 1.00 1.00 H new ATOM 0 HG3 ARG A 9 -2.130 14.563 -15.893 1.00 1.00 H new ATOM 0 HD2 ARG A 9 -1.793 14.861 -18.179 1.00 1.00 H new ATOM 0 HD3 ARG A 9 -0.178 14.347 -17.734 1.00 1.00 H new ATOM 0 HE ARG A 9 -1.859 12.050 -18.341 1.00 1.00 H new ATOM 0 HH11 ARG A 9 -0.040 14.732 -19.688 1.00 1.00 H new ATOM 0 HH12 ARG A 9 0.282 13.914 -21.221 1.00 1.00 H new ATOM 0 HH21 ARG A 9 -1.438 11.008 -20.316 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -0.503 11.825 -21.573 1.00 1.00 H new ATOM 150 N GLU A 10 -0.833 10.110 -14.742 1.00 1.00 N ATOM 151 CA GLU A 10 -1.286 8.760 -15.055 1.00 1.00 C ATOM 152 C GLU A 10 -1.978 8.137 -13.846 1.00 1.00 C ATOM 153 O GLU A 10 -3.028 7.507 -13.975 1.00 1.00 O ATOM 154 CB GLU A 10 -0.097 7.892 -15.470 1.00 1.00 C ATOM 155 CG GLU A 10 0.498 8.429 -16.772 1.00 1.00 C ATOM 156 CD GLU A 10 1.625 7.518 -17.246 1.00 1.00 C ATOM 157 OE1 GLU A 10 1.332 6.403 -17.643 1.00 1.00 O ATOM 158 OE2 GLU A 10 2.765 7.950 -17.204 1.00 1.00 O ATOM 0 H GLU A 10 0.178 10.208 -14.644 1.00 1.00 H new ATOM 0 HA GLU A 10 -1.997 8.816 -15.879 1.00 1.00 H new ATOM 0 HB2 GLU A 10 0.659 7.893 -14.685 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -0.417 6.858 -15.603 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -0.276 8.491 -17.537 1.00 1.00 H new ATOM 0 HG3 GLU A 10 0.876 9.440 -16.619 1.00 1.00 H new ATOM 165 N CYS A 11 -1.380 8.318 -12.672 1.00 1.00 N ATOM 166 CA CYS A 11 -1.946 7.769 -11.445 1.00 1.00 C ATOM 167 C CYS A 11 -3.275 8.443 -11.120 1.00 1.00 C ATOM 168 O CYS A 11 -4.191 7.809 -10.597 1.00 1.00 O ATOM 169 CB CYS A 11 -0.971 7.974 -10.283 1.00 1.00 C ATOM 170 SG CYS A 11 -1.559 7.061 -8.835 1.00 1.00 S ATOM 0 H CYS A 11 -0.511 8.836 -12.545 1.00 1.00 H new ATOM 0 HA CYS A 11 -2.118 6.703 -11.592 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.024 7.630 -10.564 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.887 9.035 -10.048 1.00 1.00 H new ATOM 0 HG CYS A 11 -2.857 6.990 -8.865 1.00 1.00 H new ATOM 175 N ARG A 12 -3.372 9.731 -11.433 1.00 1.00 N ATOM 176 CA ARG A 12 -4.595 10.480 -11.169 1.00 1.00 C ATOM 177 C ARG A 12 -5.793 9.793 -11.818 1.00 1.00 C ATOM 178 O ARG A 12 -6.874 9.726 -11.234 1.00 1.00 O ATOM 179 CB ARG A 12 -4.464 11.903 -11.715 1.00 1.00 C ATOM 180 CG ARG A 12 -5.656 12.741 -11.249 1.00 1.00 C ATOM 181 CD ARG A 12 -5.549 14.151 -11.832 1.00 1.00 C ATOM 182 NE ARG A 12 -5.972 14.152 -13.228 1.00 1.00 N ATOM 183 CZ ARG A 12 -5.850 15.240 -13.983 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.344 16.331 -13.477 1.00 1.00 N ATOM 185 NH2 ARG A 12 -6.236 15.216 -15.229 1.00 1.00 N ATOM 0 H ARG A 12 -2.625 10.274 -11.866 1.00 1.00 H new ATOM 0 HA ARG A 12 -4.751 10.518 -10.091 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -3.533 12.352 -11.369 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -4.423 11.884 -12.804 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -6.588 12.274 -11.567 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -5.678 12.787 -10.160 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -6.169 14.839 -11.256 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -4.522 14.507 -11.755 1.00 1.00 H new ATOM 0 HE ARG A 12 -6.368 13.303 -13.632 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -5.042 16.349 -12.503 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -5.250 17.166 -14.056 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -6.631 14.363 -15.624 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -6.142 16.050 -15.808 1.00 1.00 H new ATOM 199 N LEU A 13 -5.592 9.283 -13.029 1.00 1.00 N ATOM 200 CA LEU A 13 -6.662 8.602 -13.748 1.00 1.00 C ATOM 201 C LEU A 13 -7.126 7.374 -12.972 1.00 1.00 C ATOM 202 O LEU A 13 -8.326 7.129 -12.839 1.00 1.00 O ATOM 203 CB LEU A 13 -6.169 8.174 -15.135 1.00 1.00 C ATOM 204 CG LEU A 13 -6.696 9.139 -16.203 1.00 1.00 C ATOM 205 CD1 LEU A 13 -8.215 8.990 -16.342 1.00 1.00 C ATOM 206 CD2 LEU A 13 -6.359 10.578 -15.804 1.00 1.00 C ATOM 0 H LEU A 13 -4.705 9.328 -13.530 1.00 1.00 H new ATOM 0 HA LEU A 13 -7.500 9.291 -13.856 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -5.079 8.159 -15.153 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -6.505 7.160 -15.352 1.00 1.00 H new ATOM 0 HG LEU A 13 -6.225 8.904 -17.158 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -8.580 9.680 -17.103 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -8.455 7.968 -16.634 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -8.692 9.217 -15.388 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -6.734 11.264 -16.564 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -6.825 10.808 -14.846 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -5.278 10.688 -15.718 1.00 1.00 H new ATOM 218 N ALA A 14 -6.171 6.605 -12.460 1.00 1.00 N ATOM 219 CA ALA A 14 -6.494 5.405 -11.698 1.00 1.00 C ATOM 220 C ALA A 14 -7.016 5.776 -10.313 1.00 1.00 C ATOM 221 O ALA A 14 -7.900 5.109 -9.773 1.00 1.00 O ATOM 222 CB ALA A 14 -5.251 4.525 -11.557 1.00 1.00 C ATOM 0 H ALA A 14 -5.173 6.790 -12.558 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.269 4.855 -12.232 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.501 3.631 -10.986 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.895 4.237 -12.546 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -4.469 5.080 -11.038 1.00 1.00 H new ATOM 228 N GLN A 15 -6.463 6.841 -9.743 1.00 1.00 N ATOM 229 CA GLN A 15 -6.881 7.292 -8.420 1.00 1.00 C ATOM 230 C GLN A 15 -8.192 8.064 -8.508 1.00 1.00 C ATOM 231 O GLN A 15 -8.953 8.128 -7.543 1.00 1.00 O ATOM 232 CB GLN A 15 -5.800 8.183 -7.806 1.00 1.00 C ATOM 233 CG GLN A 15 -5.581 7.786 -6.345 1.00 1.00 C ATOM 234 CD GLN A 15 -4.707 8.823 -5.648 1.00 1.00 C ATOM 235 OE1 GLN A 15 -3.534 8.567 -5.377 1.00 1.00 O ATOM 236 NE2 GLN A 15 -5.212 9.986 -5.336 1.00 1.00 N ATOM 0 H GLN A 15 -5.729 7.405 -10.172 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.030 6.417 -7.788 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.870 8.082 -8.365 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.097 9.230 -7.869 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -6.540 7.704 -5.834 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -5.108 6.805 -6.293 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -6.184 10.197 -5.561 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -4.634 10.684 -4.867 1.00 1.00 H new ATOM 598 N ALA A 45 6.072 -10.249 -5.985 1.00 1.00 N ATOM 599 CA ALA A 45 7.499 -10.536 -6.104 1.00 1.00 C ATOM 600 C ALA A 45 8.335 -9.470 -5.399 1.00 1.00 C ATOM 601 O ALA A 45 9.384 -9.770 -4.830 1.00 1.00 O ATOM 602 CB ALA A 45 7.895 -10.598 -7.580 1.00 1.00 C ATOM 0 HA ALA A 45 7.691 -11.498 -5.629 1.00 1.00 H new ATOM 0 HB1 ALA A 45 8.961 -10.812 -7.662 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.327 -11.385 -8.076 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.680 -9.641 -8.055 1.00 1.00 H new ATOM 608 N ILE A 46 7.871 -8.223 -5.448 1.00 1.00 N ATOM 609 CA ILE A 46 8.595 -7.123 -4.814 1.00 1.00 C ATOM 610 C ILE A 46 7.934 -6.714 -3.500 1.00 1.00 C ATOM 611 O ILE A 46 8.553 -6.061 -2.661 1.00 1.00 O ATOM 612 CB ILE A 46 8.637 -5.920 -5.760 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.210 -5.531 -6.149 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.424 -6.287 -7.020 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.249 -4.343 -7.113 1.00 1.00 C ATOM 0 H ILE A 46 7.006 -7.950 -5.915 1.00 1.00 H new ATOM 0 HA ILE A 46 9.609 -7.462 -4.599 1.00 1.00 H new ATOM 0 HB ILE A 46 9.122 -5.082 -5.260 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.706 -6.377 -6.617 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.637 -5.272 -5.259 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.453 -5.430 -7.693 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.441 -6.568 -6.745 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.939 -7.125 -7.521 1.00 1.00 H new ATOM 0 HD11 ILE A 46 6.232 -4.066 -7.390 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.736 -3.497 -6.628 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.807 -4.619 -8.008 1.00 1.00 H new ATOM 627 N ALA A 47 6.677 -7.100 -3.329 1.00 1.00 N ATOM 628 CA ALA A 47 5.945 -6.764 -2.113 1.00 1.00 C ATOM 629 C ALA A 47 6.565 -7.451 -0.900 1.00 1.00 C ATOM 630 O ALA A 47 6.374 -7.017 0.236 1.00 1.00 O ATOM 631 CB ALA A 47 4.482 -7.192 -2.249 1.00 1.00 C ATOM 0 H ALA A 47 6.145 -7.642 -4.010 1.00 1.00 H new ATOM 0 HA ALA A 47 5.999 -5.685 -1.970 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.942 -6.938 -1.337 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.029 -6.675 -3.095 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.432 -8.269 -2.412 1.00 1.00 H new ATOM 637 N ASN A 48 7.306 -8.526 -1.148 1.00 1.00 N ATOM 638 CA ASN A 48 7.949 -9.265 -0.068 1.00 1.00 C ATOM 639 C ASN A 48 9.271 -8.610 0.312 1.00 1.00 C ATOM 640 O ASN A 48 9.867 -8.936 1.338 1.00 1.00 O ATOM 641 CB ASN A 48 8.199 -10.712 -0.499 1.00 1.00 C ATOM 642 CG ASN A 48 6.894 -11.499 -0.463 1.00 1.00 C ATOM 643 OD1 ASN A 48 5.840 -10.944 -0.150 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.899 -12.768 -0.767 1.00 1.00 N ATOM 0 H ASN A 48 7.475 -8.903 -2.081 1.00 1.00 H new ATOM 0 HA ASN A 48 7.288 -9.255 0.798 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.619 -10.733 -1.505 1.00 1.00 H new ATOM 0 HB3 ASN A 48 8.931 -11.176 0.162 1.00 1.00 H new ATOM 0 HD21 ASN A 48 6.030 -13.301 -0.746 1.00 1.00 H new ATOM 0 HD22 ASN A 48 7.772 -13.227 -1.026 1.00 1.00 H new ATOM 651 N PHE A 49 9.724 -7.691 -0.531 1.00 1.00 N ATOM 652 CA PHE A 49 10.979 -6.997 -0.287 1.00 1.00 C ATOM 653 C PHE A 49 10.763 -5.800 0.634 1.00 1.00 C ATOM 654 O PHE A 49 11.647 -4.956 0.792 1.00 1.00 O ATOM 655 CB PHE A 49 11.572 -6.530 -1.617 1.00 1.00 C ATOM 656 CG PHE A 49 12.744 -7.411 -1.981 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.601 -8.803 -1.971 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.973 -6.837 -2.328 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.685 -9.621 -2.310 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.057 -7.656 -2.665 1.00 1.00 C ATOM 661 CZ PHE A 49 14.913 -9.048 -2.656 1.00 1.00 C ATOM 0 H PHE A 49 9.243 -7.411 -1.386 1.00 1.00 H new ATOM 0 HA PHE A 49 11.671 -7.685 0.200 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.815 -6.572 -2.400 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.894 -5.491 -1.540 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.654 -9.246 -1.702 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.085 -5.763 -2.336 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.573 -10.695 -2.304 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.005 -7.213 -2.932 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.750 -9.679 -2.916 1.00 1.00 H new ATOM 671 N LEU A 50 9.586 -5.740 1.246 1.00 1.00 N ATOM 672 CA LEU A 50 9.257 -4.652 2.162 1.00 1.00 C ATOM 673 C LEU A 50 8.608 -5.211 3.426 1.00 1.00 C ATOM 674 O LEU A 50 7.437 -5.587 3.420 1.00 1.00 O ATOM 675 CB LEU A 50 8.297 -3.661 1.484 1.00 1.00 C ATOM 676 CG LEU A 50 9.071 -2.620 0.658 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.432 -2.488 -0.726 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.008 -1.266 1.369 1.00 1.00 C ATOM 0 H LEU A 50 8.844 -6.430 1.126 1.00 1.00 H new ATOM 0 HA LEU A 50 10.176 -4.131 2.430 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.607 -4.203 0.838 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.696 -3.156 2.240 1.00 1.00 H new ATOM 0 HG LEU A 50 10.109 -2.937 0.553 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.981 -1.750 -1.311 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.464 -3.451 -1.235 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.395 -2.168 -0.619 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.555 -0.524 0.788 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.968 -0.955 1.468 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.456 -1.354 2.359 1.00 1.00 H new ATOM 690 N GLU A 51 9.381 -5.260 4.510 1.00 1.00 N ATOM 691 CA GLU A 51 8.877 -5.776 5.781 1.00 1.00 C ATOM 692 C GLU A 51 7.559 -5.085 6.148 1.00 1.00 C ATOM 693 O GLU A 51 7.361 -3.920 5.808 1.00 1.00 O ATOM 694 CB GLU A 51 9.918 -5.526 6.878 1.00 1.00 C ATOM 695 CG GLU A 51 11.234 -6.215 6.506 1.00 1.00 C ATOM 696 CD GLU A 51 11.037 -7.726 6.441 1.00 1.00 C ATOM 697 OE1 GLU A 51 11.021 -8.348 7.491 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.903 -8.239 5.343 1.00 1.00 O ATOM 0 H GLU A 51 10.353 -4.951 4.534 1.00 1.00 H new ATOM 0 HA GLU A 51 8.695 -6.847 5.686 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.079 -4.455 7.003 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.554 -5.907 7.832 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.587 -5.845 5.543 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.001 -5.972 7.242 1.00 1.00 H new ATOM 705 N PRO A 52 6.655 -5.762 6.826 1.00 1.00 N ATOM 706 CA PRO A 52 5.342 -5.162 7.218 1.00 1.00 C ATOM 707 C PRO A 52 5.507 -3.893 8.049 1.00 1.00 C ATOM 708 O PRO A 52 4.776 -2.921 7.867 1.00 1.00 O ATOM 709 CB PRO A 52 4.638 -6.258 8.027 1.00 1.00 C ATOM 710 CG PRO A 52 5.689 -7.264 8.368 1.00 1.00 C ATOM 711 CD PRO A 52 6.771 -7.153 7.297 1.00 1.00 C ATOM 0 HA PRO A 52 4.772 -4.854 6.341 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.186 -5.846 8.929 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.835 -6.715 7.448 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.103 -7.070 9.357 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.269 -8.270 8.390 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.761 -7.356 7.705 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.608 -7.865 6.488 1.00 1.00 H new ATOM 719 N GLN A 53 6.478 -3.904 8.958 1.00 1.00 N ATOM 720 CA GLN A 53 6.725 -2.738 9.799 1.00 1.00 C ATOM 721 C GLN A 53 7.292 -1.605 8.953 1.00 1.00 C ATOM 722 O GLN A 53 6.830 -0.467 9.025 1.00 1.00 O ATOM 723 CB GLN A 53 7.708 -3.093 10.916 1.00 1.00 C ATOM 724 CG GLN A 53 7.264 -2.421 12.216 1.00 1.00 C ATOM 725 CD GLN A 53 8.385 -2.478 13.248 1.00 1.00 C ATOM 726 OE1 GLN A 53 8.846 -3.562 13.608 1.00 1.00 O ATOM 727 NE2 GLN A 53 8.850 -1.369 13.753 1.00 1.00 N ATOM 0 H GLN A 53 7.098 -4.695 9.130 1.00 1.00 H new ATOM 0 HA GLN A 53 5.784 -2.418 10.246 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.750 -4.174 11.048 1.00 1.00 H new ATOM 0 HB3 GLN A 53 8.713 -2.765 10.649 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.990 -1.384 12.023 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.376 -2.918 12.606 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.467 -0.472 13.454 1.00 1.00 H new ATOM 0 HE22 GLN A 53 9.597 -1.398 14.447 1.00 1.00 H new ATOM 736 N ALA A 54 8.288 -1.936 8.141 1.00 1.00 N ATOM 737 CA ALA A 54 8.908 -0.952 7.267 1.00 1.00 C ATOM 738 C ALA A 54 7.911 -0.507 6.206 1.00 1.00 C ATOM 739 O ALA A 54 7.968 0.621 5.713 1.00 1.00 O ATOM 740 CB ALA A 54 10.144 -1.551 6.592 1.00 1.00 C ATOM 0 H ALA A 54 8.681 -2.874 8.070 1.00 1.00 H new ATOM 0 HA ALA A 54 9.211 -0.091 7.863 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.600 -0.806 5.940 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.862 -1.856 7.353 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.851 -2.419 6.001 1.00 1.00 H new ATOM 746 N LEU A 55 6.999 -1.408 5.862 1.00 1.00 N ATOM 747 CA LEU A 55 5.983 -1.112 4.858 1.00 1.00 C ATOM 748 C LEU A 55 5.115 0.060 5.307 1.00 1.00 C ATOM 749 O LEU A 55 4.766 0.931 4.512 1.00 1.00 O ATOM 750 CB LEU A 55 5.103 -2.344 4.629 1.00 1.00 C ATOM 751 CG LEU A 55 4.073 -2.059 3.533 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.987 -3.269 2.603 1.00 1.00 C ATOM 753 CD2 LEU A 55 2.702 -1.813 4.171 1.00 1.00 C ATOM 0 H LEU A 55 6.941 -2.345 6.261 1.00 1.00 H new ATOM 0 HA LEU A 55 6.483 -0.844 3.927 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.722 -3.195 4.345 1.00 1.00 H new ATOM 0 HB3 LEU A 55 4.595 -2.615 5.555 1.00 1.00 H new ATOM 0 HG LEU A 55 4.373 -1.177 2.967 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.255 -3.074 1.819 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.962 -3.451 2.152 1.00 1.00 H new ATOM 0 HD13 LEU A 55 3.682 -4.146 3.174 1.00 1.00 H new ATOM 0 HD21 LEU A 55 1.969 -1.610 3.391 1.00 1.00 H new ATOM 0 HD22 LEU A 55 2.399 -2.696 4.733 1.00 1.00 H new ATOM 0 HD23 LEU A 55 2.762 -0.958 4.844 1.00 1.00 H new ATOM 765 N GLU A 56 4.770 0.070 6.592 1.00 1.00 N ATOM 766 CA GLU A 56 3.940 1.134 7.144 1.00 1.00 C ATOM 767 C GLU A 56 4.690 2.464 7.144 1.00 1.00 C ATOM 768 O GLU A 56 4.092 3.523 6.949 1.00 1.00 O ATOM 769 CB GLU A 56 3.522 0.784 8.573 1.00 1.00 C ATOM 770 CG GLU A 56 2.500 1.808 9.069 1.00 1.00 C ATOM 771 CD GLU A 56 1.997 1.422 10.455 1.00 1.00 C ATOM 772 OE1 GLU A 56 1.445 0.341 10.585 1.00 1.00 O ATOM 773 OE2 GLU A 56 2.164 2.214 11.367 1.00 1.00 O ATOM 0 H GLU A 56 5.051 -0.642 7.266 1.00 1.00 H new ATOM 0 HA GLU A 56 3.053 1.233 6.518 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.093 -0.218 8.603 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.394 0.778 9.227 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.954 2.799 9.102 1.00 1.00 H new ATOM 0 HG3 GLU A 56 1.663 1.864 8.373 1.00 1.00 H new ATOM 780 N ARG A 57 5.998 2.404 7.375 1.00 1.00 N ATOM 781 CA ARG A 57 6.810 3.611 7.411 1.00 1.00 C ATOM 782 C ARG A 57 6.713 4.376 6.095 1.00 1.00 C ATOM 783 O ARG A 57 6.363 5.556 6.080 1.00 1.00 O ATOM 784 CB ARG A 57 8.271 3.246 7.675 1.00 1.00 C ATOM 785 CG ARG A 57 8.771 3.988 8.914 1.00 1.00 C ATOM 786 CD ARG A 57 8.720 5.496 8.667 1.00 1.00 C ATOM 787 NE ARG A 57 7.875 6.139 9.666 1.00 1.00 N ATOM 788 CZ ARG A 57 8.226 6.167 10.947 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.355 5.634 11.325 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.440 6.726 11.827 1.00 1.00 N ATOM 0 H ARG A 57 6.513 1.539 7.539 1.00 1.00 H new ATOM 0 HA ARG A 57 6.435 4.247 8.213 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.367 2.170 7.820 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.883 3.507 6.811 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.157 3.730 9.777 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.791 3.682 9.146 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.726 5.913 8.708 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.332 5.696 7.668 1.00 1.00 H new ATOM 0 HE ARG A 57 6.999 6.575 9.376 1.00 1.00 H new ATOM 0 HH11 ARG A 57 9.968 5.196 10.637 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.625 5.655 12.308 1.00 1.00 H new ATOM 0 HH21 ARG A 57 6.557 7.141 11.531 1.00 1.00 H new ATOM 0 HH22 ARG A 57 7.709 6.748 12.811 1.00 1.00 H new ATOM 804 N LEU A 58 7.026 3.705 4.994 1.00 1.00 N ATOM 805 CA LEU A 58 6.966 4.349 3.686 1.00 1.00 C ATOM 806 C LEU A 58 5.561 4.888 3.435 1.00 1.00 C ATOM 807 O LEU A 58 5.384 5.933 2.812 1.00 1.00 O ATOM 808 CB LEU A 58 7.354 3.348 2.590 1.00 1.00 C ATOM 809 CG LEU A 58 7.211 3.987 1.202 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.010 5.291 1.135 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.751 3.020 0.146 1.00 1.00 C ATOM 0 H LEU A 58 7.320 2.728 4.978 1.00 1.00 H new ATOM 0 HA LEU A 58 7.670 5.181 3.666 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.381 3.016 2.740 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.720 2.464 2.656 1.00 1.00 H new ATOM 0 HG LEU A 58 6.158 4.201 1.017 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.900 5.734 0.145 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.636 5.986 1.887 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.063 5.083 1.325 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.652 3.468 -0.843 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.802 2.812 0.347 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.184 2.090 0.181 1.00 1.00 H new ATOM 823 N SER A 59 4.563 4.169 3.925 1.00 1.00 N ATOM 824 CA SER A 59 3.183 4.598 3.758 1.00 1.00 C ATOM 825 C SER A 59 2.928 5.884 4.545 1.00 1.00 C ATOM 826 O SER A 59 2.187 6.760 4.101 1.00 1.00 O ATOM 827 CB SER A 59 2.231 3.503 4.243 1.00 1.00 C ATOM 828 OG SER A 59 2.159 2.477 3.263 1.00 1.00 O ATOM 0 H SER A 59 4.680 3.294 4.437 1.00 1.00 H new ATOM 0 HA SER A 59 3.005 4.788 2.700 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.582 3.093 5.190 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.240 3.920 4.423 1.00 1.00 H new ATOM 0 HG SER A 59 2.890 1.839 3.403 1.00 1.00 H new ATOM 834 N ARG A 60 3.535 5.971 5.729 1.00 1.00 N ATOM 835 CA ARG A 60 3.358 7.133 6.599 1.00 1.00 C ATOM 836 C ARG A 60 3.969 8.404 6.011 1.00 1.00 C ATOM 837 O ARG A 60 3.335 9.460 6.022 1.00 1.00 O ATOM 838 CB ARG A 60 3.999 6.857 7.959 1.00 1.00 C ATOM 839 CG ARG A 60 3.442 7.837 8.994 1.00 1.00 C ATOM 840 CD ARG A 60 2.288 7.180 9.752 1.00 1.00 C ATOM 841 NE ARG A 60 1.466 6.393 8.840 1.00 1.00 N ATOM 842 CZ ARG A 60 0.192 6.132 9.114 1.00 1.00 C ATOM 843 NH1 ARG A 60 -0.346 6.585 10.214 1.00 1.00 N ATOM 844 NH2 ARG A 60 -0.521 5.421 8.284 1.00 1.00 N ATOM 0 H ARG A 60 4.152 5.252 6.107 1.00 1.00 H new ATOM 0 HA ARG A 60 2.285 7.297 6.702 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.796 5.831 8.267 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.082 6.961 7.890 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.227 8.132 9.690 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.096 8.745 8.501 1.00 1.00 H new ATOM 0 HD2 ARG A 60 2.681 6.540 10.542 1.00 1.00 H new ATOM 0 HD3 ARG A 60 1.679 7.944 10.234 1.00 1.00 H new ATOM 0 HE ARG A 60 1.876 6.037 7.977 1.00 1.00 H new ATOM 0 HH11 ARG A 60 0.212 7.140 10.864 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -1.324 6.384 10.424 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -0.101 5.066 7.425 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -1.499 5.220 8.494 1.00 1.00 H new ATOM 858 N VAL A 61 5.198 8.314 5.509 1.00 1.00 N ATOM 859 CA VAL A 61 5.853 9.491 4.942 1.00 1.00 C ATOM 860 C VAL A 61 5.175 9.910 3.643 1.00 1.00 C ATOM 861 O VAL A 61 4.974 11.098 3.392 1.00 1.00 O ATOM 862 CB VAL A 61 7.342 9.216 4.690 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.501 8.191 3.575 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.040 10.518 4.281 1.00 1.00 C ATOM 0 H VAL A 61 5.751 7.458 5.482 1.00 1.00 H new ATOM 0 HA VAL A 61 5.765 10.304 5.662 1.00 1.00 H new ATOM 0 HB VAL A 61 7.791 8.827 5.604 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.561 8.002 3.403 1.00 1.00 H new ATOM 0 HG12 VAL A 61 7.009 7.262 3.862 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.048 8.574 2.661 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.097 10.323 4.102 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.583 10.905 3.370 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.937 11.253 5.080 1.00 1.00 H new ATOM 874 N ALA A 62 4.831 8.928 2.818 1.00 1.00 N ATOM 875 CA ALA A 62 4.183 9.205 1.543 1.00 1.00 C ATOM 876 C ALA A 62 2.974 10.120 1.728 1.00 1.00 C ATOM 877 O ALA A 62 2.655 10.924 0.854 1.00 1.00 O ATOM 878 CB ALA A 62 3.739 7.897 0.886 1.00 1.00 C ATOM 0 H ALA A 62 4.989 7.938 3.008 1.00 1.00 H new ATOM 0 HA ALA A 62 4.904 9.710 0.901 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.256 8.114 -0.067 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.608 7.262 0.715 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.036 7.381 1.540 1.00 1.00 H new ATOM 884 N LEU A 63 2.301 9.987 2.866 1.00 1.00 N ATOM 885 CA LEU A 63 1.125 10.804 3.145 1.00 1.00 C ATOM 886 C LEU A 63 1.506 12.270 3.328 1.00 1.00 C ATOM 887 O LEU A 63 0.652 13.154 3.250 1.00 1.00 O ATOM 888 CB LEU A 63 0.428 10.302 4.411 1.00 1.00 C ATOM 889 CG LEU A 63 -0.373 9.039 4.087 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.484 8.170 5.341 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.777 9.430 3.617 1.00 1.00 C ATOM 0 H LEU A 63 2.546 9.327 3.604 1.00 1.00 H new ATOM 0 HA LEU A 63 0.449 10.722 2.294 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.166 10.089 5.185 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.233 11.074 4.805 1.00 1.00 H new ATOM 0 HG LEU A 63 0.134 8.482 3.299 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.055 7.270 5.111 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.514 7.890 5.679 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.990 8.729 6.128 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.347 8.530 3.386 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.282 9.988 4.405 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.702 10.051 2.724 1.00 1.00 H new ATOM 903 N VAL A 64 2.788 12.521 3.580 1.00 1.00 N ATOM 904 CA VAL A 64 3.268 13.886 3.784 1.00 1.00 C ATOM 905 C VAL A 64 4.121 14.352 2.605 1.00 1.00 C ATOM 906 O VAL A 64 3.898 15.432 2.058 1.00 1.00 O ATOM 907 CB VAL A 64 4.086 13.960 5.074 1.00 1.00 C ATOM 908 CG1 VAL A 64 3.785 15.277 5.792 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.707 12.791 5.985 1.00 1.00 C ATOM 0 H VAL A 64 3.509 11.803 3.648 1.00 1.00 H new ATOM 0 HA VAL A 64 2.402 14.544 3.861 1.00 1.00 H new ATOM 0 HB VAL A 64 5.148 13.908 4.834 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.367 15.331 6.712 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.050 16.113 5.145 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.723 15.326 6.032 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.290 12.843 6.905 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.645 12.846 6.224 1.00 1.00 H new ATOM 0 HG23 VAL A 64 3.916 11.850 5.476 1.00 1.00 H new ATOM 919 N ARG A 65 5.098 13.534 2.221 1.00 1.00 N ATOM 920 CA ARG A 65 5.979 13.876 1.106 1.00 1.00 C ATOM 921 C ARG A 65 6.115 12.699 0.144 1.00 1.00 C ATOM 922 O ARG A 65 7.076 11.932 0.208 1.00 1.00 O ATOM 923 CB ARG A 65 7.356 14.276 1.627 1.00 1.00 C ATOM 924 CG ARG A 65 7.203 15.137 2.882 1.00 1.00 C ATOM 925 CD ARG A 65 8.432 16.035 3.036 1.00 1.00 C ATOM 926 NE ARG A 65 8.386 17.126 2.070 1.00 1.00 N ATOM 927 CZ ARG A 65 9.046 18.260 2.281 1.00 1.00 C ATOM 928 NH1 ARG A 65 9.752 18.410 3.368 1.00 1.00 N ATOM 929 NH2 ARG A 65 8.989 19.222 1.402 1.00 1.00 N ATOM 0 H ARG A 65 5.299 12.636 2.661 1.00 1.00 H new ATOM 0 HA ARG A 65 5.539 14.717 0.570 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.942 13.386 1.855 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.899 14.828 0.860 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.301 15.745 2.811 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.091 14.502 3.761 1.00 1.00 H new ATOM 0 HD2 ARG A 65 8.472 16.438 4.048 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.339 15.449 2.890 1.00 1.00 H new ATOM 0 HE ARG A 65 7.837 17.017 1.217 1.00 1.00 H new ATOM 0 HH11 ARG A 65 9.797 17.657 4.055 1.00 1.00 H new ATOM 0 HH12 ARG A 65 10.259 19.280 3.531 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.438 19.104 0.552 1.00 1.00 H new ATOM 0 HH22 ARG A 65 9.496 20.092 1.565 1.00 1.00 H new ATOM 943 N ARG A 66 5.140 12.571 -0.748 1.00 1.00 N ATOM 944 CA ARG A 66 5.133 11.496 -1.737 1.00 1.00 C ATOM 945 C ARG A 66 6.364 11.562 -2.634 1.00 1.00 C ATOM 946 O ARG A 66 6.839 10.539 -3.126 1.00 1.00 O ATOM 947 CB ARG A 66 3.872 11.590 -2.595 1.00 1.00 C ATOM 948 CG ARG A 66 3.107 10.267 -2.533 1.00 1.00 C ATOM 949 CD ARG A 66 1.939 10.305 -3.518 1.00 1.00 C ATOM 950 NE ARG A 66 1.057 9.163 -3.301 1.00 1.00 N ATOM 951 CZ ARG A 66 0.075 8.883 -4.154 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.109 9.632 -5.207 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.702 7.856 -3.940 1.00 1.00 N ATOM 0 H ARG A 66 4.340 13.201 -0.808 1.00 1.00 H new ATOM 0 HA ARG A 66 5.148 10.546 -1.203 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.239 12.404 -2.241 1.00 1.00 H new ATOM 0 HB3 ARG A 66 4.139 11.819 -3.627 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.773 9.438 -2.774 1.00 1.00 H new ATOM 0 HG3 ARG A 66 2.738 10.095 -1.522 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.381 11.233 -3.395 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.316 10.293 -4.541 1.00 1.00 H new ATOM 0 HE ARG A 66 1.195 8.570 -2.483 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.500 10.432 -5.376 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -0.862 9.417 -5.861 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.556 7.268 -3.119 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.455 7.641 -4.594 1.00 1.00 H new ATOM 967 N ASP A 67 6.860 12.771 -2.864 1.00 1.00 N ATOM 968 CA ASP A 67 8.019 12.957 -3.732 1.00 1.00 C ATOM 969 C ASP A 67 9.200 12.104 -3.271 1.00 1.00 C ATOM 970 O ASP A 67 9.852 11.436 -4.076 1.00 1.00 O ATOM 971 CB ASP A 67 8.423 14.433 -3.735 1.00 1.00 C ATOM 972 CG ASP A 67 7.770 15.152 -4.910 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.103 14.828 -6.039 1.00 1.00 O ATOM 974 OD2 ASP A 67 6.946 16.018 -4.665 1.00 1.00 O ATOM 0 H ASP A 67 6.483 13.631 -2.466 1.00 1.00 H new ATOM 0 HA ASP A 67 7.745 12.643 -4.739 1.00 1.00 H new ATOM 0 HB2 ASP A 67 8.122 14.902 -2.798 1.00 1.00 H new ATOM 0 HB3 ASP A 67 9.507 14.521 -3.802 1.00 1.00 H new ATOM 979 N ARG A 68 9.468 12.134 -1.973 1.00 1.00 N ATOM 980 CA ARG A 68 10.573 11.365 -1.413 1.00 1.00 C ATOM 981 C ARG A 68 10.234 9.882 -1.422 1.00 1.00 C ATOM 982 O ARG A 68 11.099 9.037 -1.656 1.00 1.00 O ATOM 983 CB ARG A 68 10.886 11.797 0.027 1.00 1.00 C ATOM 984 CG ARG A 68 10.377 13.216 0.321 1.00 1.00 C ATOM 985 CD ARG A 68 11.189 14.255 -0.458 1.00 1.00 C ATOM 986 NE ARG A 68 11.049 14.058 -1.901 1.00 1.00 N ATOM 987 CZ ARG A 68 12.049 14.298 -2.744 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.193 14.733 -2.292 1.00 1.00 N ATOM 989 NH2 ARG A 68 11.885 14.101 -4.022 1.00 1.00 N ATOM 0 H ARG A 68 8.940 12.678 -1.291 1.00 1.00 H new ATOM 0 HA ARG A 68 11.451 11.553 -2.032 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.429 11.095 0.724 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.962 11.755 0.193 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.324 13.293 0.051 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.448 13.419 1.390 1.00 1.00 H new ATOM 0 HD2 ARG A 68 10.855 15.257 -0.190 1.00 1.00 H new ATOM 0 HD3 ARG A 68 12.240 14.184 -0.178 1.00 1.00 H new ATOM 0 HE ARG A 68 10.158 13.727 -2.271 1.00 1.00 H new ATOM 0 HH11 ARG A 68 13.320 14.889 -1.292 1.00 1.00 H new ATOM 0 HH12 ARG A 68 13.960 14.917 -2.939 1.00 1.00 H new ATOM 0 HH21 ARG A 68 10.990 13.763 -4.375 1.00 1.00 H new ATOM 0 HH22 ARG A 68 12.652 14.285 -4.669 1.00 1.00 H new ATOM 1003 N ALA A 69 8.968 9.580 -1.167 1.00 1.00 N ATOM 1004 CA ALA A 69 8.505 8.196 -1.146 1.00 1.00 C ATOM 1005 C ALA A 69 8.680 7.551 -2.520 1.00 1.00 C ATOM 1006 O ALA A 69 8.808 6.332 -2.635 1.00 1.00 O ATOM 1007 CB ALA A 69 7.027 8.152 -0.751 1.00 1.00 C ATOM 0 H ALA A 69 8.244 10.271 -0.972 1.00 1.00 H new ATOM 0 HA ALA A 69 9.098 7.643 -0.418 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.685 7.117 -0.736 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.902 8.590 0.239 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.440 8.718 -1.474 1.00 1.00 H new ATOM 1013 N GLN A 70 8.681 8.381 -3.559 1.00 1.00 N ATOM 1014 CA GLN A 70 8.835 7.890 -4.926 1.00 1.00 C ATOM 1015 C GLN A 70 10.276 7.479 -5.213 1.00 1.00 C ATOM 1016 O GLN A 70 10.523 6.484 -5.893 1.00 1.00 O ATOM 1017 CB GLN A 70 8.414 8.975 -5.918 1.00 1.00 C ATOM 1018 CG GLN A 70 6.888 9.053 -5.978 1.00 1.00 C ATOM 1019 CD GLN A 70 6.457 10.284 -6.770 1.00 1.00 C ATOM 1020 OE1 GLN A 70 5.456 10.243 -7.484 1.00 1.00 O ATOM 1021 NE2 GLN A 70 7.155 11.383 -6.681 1.00 1.00 N ATOM 0 H GLN A 70 8.577 9.393 -3.482 1.00 1.00 H new ATOM 0 HA GLN A 70 8.198 7.013 -5.038 1.00 1.00 H new ATOM 0 HB2 GLN A 70 8.826 9.938 -5.615 1.00 1.00 H new ATOM 0 HB3 GLN A 70 8.816 8.753 -6.907 1.00 1.00 H new ATOM 0 HG2 GLN A 70 6.488 8.153 -6.444 1.00 1.00 H new ATOM 0 HG3 GLN A 70 6.478 9.098 -4.969 1.00 1.00 H new ATOM 0 HE21 GLN A 70 7.984 11.414 -6.088 1.00 1.00 H new ATOM 0 HE22 GLN A 70 6.871 12.211 -7.204 1.00 1.00 H new ATOM 1030 N ALA A 71 11.225 8.257 -4.703 1.00 1.00 N ATOM 1031 CA ALA A 71 12.638 7.967 -4.928 1.00 1.00 C ATOM 1032 C ALA A 71 13.056 6.668 -4.238 1.00 1.00 C ATOM 1033 O ALA A 71 13.746 5.839 -4.830 1.00 1.00 O ATOM 1034 CB ALA A 71 13.493 9.129 -4.422 1.00 1.00 C ATOM 0 H ALA A 71 11.045 9.086 -4.136 1.00 1.00 H new ATOM 0 HA ALA A 71 12.793 7.842 -6.000 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.546 8.907 -4.593 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.223 10.039 -4.957 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.320 9.270 -3.355 1.00 1.00 H new ATOM 1040 N VAL A 72 12.632 6.489 -2.989 1.00 1.00 N ATOM 1041 CA VAL A 72 12.969 5.280 -2.242 1.00 1.00 C ATOM 1042 C VAL A 72 12.414 4.055 -2.959 1.00 1.00 C ATOM 1043 O VAL A 72 13.082 3.027 -3.067 1.00 1.00 O ATOM 1044 CB VAL A 72 12.389 5.349 -0.825 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.189 6.346 0.016 1.00 1.00 C ATOM 1046 CG2 VAL A 72 10.932 5.792 -0.882 1.00 1.00 C ATOM 0 H VAL A 72 12.059 7.160 -2.476 1.00 1.00 H new ATOM 0 HA VAL A 72 14.054 5.203 -2.178 1.00 1.00 H new ATOM 0 HB VAL A 72 12.449 4.360 -0.371 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.772 6.391 1.022 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.229 6.025 0.068 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.136 7.333 -0.443 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.526 5.839 0.129 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.869 6.777 -1.344 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.357 5.077 -1.471 1.00 1.00 H new ATOM 1056 N GLU A 73 11.193 4.182 -3.457 1.00 1.00 N ATOM 1057 CA GLU A 73 10.551 3.090 -4.179 1.00 1.00 C ATOM 1058 C GLU A 73 11.312 2.800 -5.469 1.00 1.00 C ATOM 1059 O GLU A 73 11.410 1.651 -5.903 1.00 1.00 O ATOM 1060 CB GLU A 73 9.105 3.461 -4.514 1.00 1.00 C ATOM 1061 CG GLU A 73 8.174 2.899 -3.438 1.00 1.00 C ATOM 1062 CD GLU A 73 7.905 1.421 -3.701 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.726 0.611 -3.304 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.881 1.120 -4.292 1.00 1.00 O ATOM 0 H GLU A 73 10.627 5.027 -3.376 1.00 1.00 H new ATOM 0 HA GLU A 73 10.558 2.201 -3.548 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.000 4.544 -4.572 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.832 3.062 -5.491 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.624 3.026 -2.454 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.235 3.453 -3.433 1.00 1.00 H new ATOM 1071 N THR A 74 11.853 3.854 -6.073 1.00 1.00 N ATOM 1072 CA THR A 74 12.610 3.711 -7.309 1.00 1.00 C ATOM 1073 C THR A 74 13.995 3.151 -7.014 1.00 1.00 C ATOM 1074 O THR A 74 14.587 2.454 -7.839 1.00 1.00 O ATOM 1075 CB THR A 74 12.742 5.067 -8.004 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.554 5.342 -8.733 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.935 5.042 -8.960 1.00 1.00 C ATOM 0 H THR A 74 11.781 4.811 -5.728 1.00 1.00 H new ATOM 0 HA THR A 74 12.078 3.022 -7.965 1.00 1.00 H new ATOM 0 HB THR A 74 12.898 5.844 -7.255 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.637 6.212 -9.177 1.00 1.00 H new ATOM 0 HG21 THR A 74 14.026 6.010 -9.453 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.846 4.833 -8.399 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.784 4.265 -9.710 1.00 1.00 H new ATOM 1085 N TYR A 75 14.503 3.456 -5.826 1.00 1.00 N ATOM 1086 CA TYR A 75 15.816 2.978 -5.418 1.00 1.00 C ATOM 1087 C TYR A 75 15.819 1.455 -5.335 1.00 1.00 C ATOM 1088 O TYR A 75 16.716 0.793 -5.859 1.00 1.00 O ATOM 1089 CB TYR A 75 16.180 3.569 -4.055 1.00 1.00 C ATOM 1090 CG TYR A 75 17.471 2.963 -3.569 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.469 1.703 -2.960 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.675 3.662 -3.726 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.669 1.140 -2.509 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.875 3.100 -3.274 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.872 1.839 -2.666 1.00 1.00 C ATOM 1096 OH TYR A 75 21.056 1.286 -2.221 1.00 1.00 O ATOM 0 H TYR A 75 14.026 4.031 -5.131 1.00 1.00 H new ATOM 0 HA TYR A 75 16.552 3.293 -6.158 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.281 4.652 -4.132 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.382 3.374 -3.338 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.541 1.164 -2.838 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.677 4.634 -4.196 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.667 0.167 -2.040 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.803 3.639 -3.394 1.00 1.00 H new ATOM 0 HH TYR A 75 21.795 1.901 -2.408 1.00 1.00 H new ATOM 1106 N LEU A 76 14.806 0.909 -4.673 1.00 1.00 N ATOM 1107 CA LEU A 76 14.686 -0.537 -4.519 1.00 1.00 C ATOM 1108 C LEU A 76 14.491 -1.215 -5.873 1.00 1.00 C ATOM 1109 O LEU A 76 15.049 -2.280 -6.129 1.00 1.00 O ATOM 1110 CB LEU A 76 13.494 -0.865 -3.617 1.00 1.00 C ATOM 1111 CG LEU A 76 13.516 -2.352 -3.243 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.728 -2.661 -2.356 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.233 -2.704 -2.482 1.00 1.00 C ATOM 0 H LEU A 76 14.056 1.444 -4.235 1.00 1.00 H new ATOM 0 HA LEU A 76 15.607 -0.908 -4.069 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.530 -0.254 -2.715 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.562 -0.624 -4.129 1.00 1.00 H new ATOM 0 HG LEU A 76 13.583 -2.944 -4.156 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.730 -3.720 -2.099 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.644 -2.416 -2.894 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.673 -2.066 -1.444 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.247 -3.761 -2.215 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.171 -2.102 -1.576 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.368 -2.500 -3.113 1.00 1.00 H new ATOM 1125 N LYS A 77 13.693 -0.590 -6.736 1.00 1.00 N ATOM 1126 CA LYS A 77 13.432 -1.145 -8.054 1.00 1.00 C ATOM 1127 C LYS A 77 14.741 -1.298 -8.823 1.00 1.00 C ATOM 1128 O LYS A 77 14.917 -2.249 -9.585 1.00 1.00 O ATOM 1129 CB LYS A 77 12.450 -0.229 -8.805 1.00 1.00 C ATOM 1130 CG LYS A 77 12.861 -0.070 -10.272 1.00 1.00 C ATOM 1131 CD LYS A 77 11.729 0.615 -11.044 1.00 1.00 C ATOM 1132 CE LYS A 77 11.497 2.020 -10.488 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.855 2.866 -11.533 1.00 1.00 N ATOM 0 H LYS A 77 13.221 0.294 -6.545 1.00 1.00 H new ATOM 0 HA LYS A 77 12.982 -2.133 -7.958 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.444 -0.644 -8.748 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.419 0.749 -8.324 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.775 0.520 -10.344 1.00 1.00 H new ATOM 0 HG3 LYS A 77 13.076 -1.045 -10.709 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.981 0.670 -12.103 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.815 0.027 -10.964 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.863 1.973 -9.603 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.444 2.462 -10.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.696 3.822 -11.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.476 2.920 -12.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.944 2.447 -11.808 1.00 1.00 H new ATOM 1147 N LYS A 78 15.656 -0.359 -8.614 1.00 1.00 N ATOM 1148 CA LYS A 78 16.948 -0.405 -9.289 1.00 1.00 C ATOM 1149 C LYS A 78 17.772 -1.579 -8.774 1.00 1.00 C ATOM 1150 O LYS A 78 18.450 -2.261 -9.544 1.00 1.00 O ATOM 1151 CB LYS A 78 17.709 0.901 -9.049 1.00 1.00 C ATOM 1152 CG LYS A 78 17.544 1.824 -10.261 1.00 1.00 C ATOM 1153 CD LYS A 78 18.486 1.374 -11.381 1.00 1.00 C ATOM 1154 CE LYS A 78 17.768 1.487 -12.728 1.00 1.00 C ATOM 1155 NZ LYS A 78 17.302 2.889 -12.925 1.00 1.00 N ATOM 0 H LYS A 78 15.530 0.437 -7.989 1.00 1.00 H new ATOM 0 HA LYS A 78 16.778 -0.533 -10.358 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.334 1.392 -8.151 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.765 0.692 -8.880 1.00 1.00 H new ATOM 0 HG2 LYS A 78 16.512 1.802 -10.610 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.763 2.854 -9.979 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.385 1.990 -11.384 1.00 1.00 H new ATOM 0 HD3 LYS A 78 18.804 0.345 -11.212 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.440 1.199 -13.536 1.00 1.00 H new ATOM 0 HE3 LYS A 78 16.920 0.803 -12.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 17.128 3.058 -13.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 16.422 3.040 -12.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.031 3.548 -12.585 1.00 1.00 H new ATOM 1169 N LEU A 79 17.708 -1.810 -7.467 1.00 1.00 N ATOM 1170 CA LEU A 79 18.451 -2.908 -6.859 1.00 1.00 C ATOM 1171 C LEU A 79 17.876 -4.252 -7.298 1.00 1.00 C ATOM 1172 O LEU A 79 18.615 -5.155 -7.690 1.00 1.00 O ATOM 1173 CB LEU A 79 18.388 -2.797 -5.332 1.00 1.00 C ATOM 1174 CG LEU A 79 19.729 -2.285 -4.799 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.024 -0.909 -5.395 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.664 -2.177 -3.274 1.00 1.00 C ATOM 0 H LEU A 79 17.154 -1.257 -6.813 1.00 1.00 H new ATOM 0 HA LEU A 79 19.489 -2.846 -7.186 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.586 -2.119 -5.039 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.159 -3.769 -4.896 1.00 1.00 H new ATOM 0 HG LEU A 79 20.520 -2.980 -5.081 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.979 -0.545 -5.015 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.071 -0.985 -6.481 1.00 1.00 H new ATOM 0 HD13 LEU A 79 19.233 -0.214 -5.114 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.618 -1.813 -2.894 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.872 -1.483 -2.992 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.455 -3.158 -2.848 1.00 1.00 H new ATOM 1188 N ILE A 80 16.553 -4.375 -7.232 1.00 1.00 N ATOM 1189 CA ILE A 80 15.892 -5.614 -7.629 1.00 1.00 C ATOM 1190 C ILE A 80 16.003 -5.821 -9.138 1.00 1.00 C ATOM 1191 O ILE A 80 16.143 -6.949 -9.609 1.00 1.00 O ATOM 1192 CB ILE A 80 14.418 -5.579 -7.217 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.320 -5.400 -5.697 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.741 -6.891 -7.624 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.856 -5.207 -5.291 1.00 1.00 C ATOM 0 H ILE A 80 15.923 -3.640 -6.911 1.00 1.00 H new ATOM 0 HA ILE A 80 16.385 -6.445 -7.125 1.00 1.00 H new ATOM 0 HB ILE A 80 13.920 -4.747 -7.715 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.735 -6.272 -5.191 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.910 -4.539 -5.384 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.692 -6.865 -7.330 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.813 -7.017 -8.704 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.236 -7.725 -7.127 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.792 -5.080 -4.210 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.455 -4.322 -5.785 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.278 -6.082 -5.589 1.00 1.00 H new ATOM 1207 N ALA A 81 15.936 -4.727 -9.888 1.00 1.00 N ATOM 1208 CA ALA A 81 16.028 -4.800 -11.340 1.00 1.00 C ATOM 1209 C ALA A 81 17.449 -5.144 -11.776 1.00 1.00 C ATOM 1210 O ALA A 81 17.658 -5.731 -12.838 1.00 1.00 O ATOM 1211 CB ALA A 81 15.614 -3.464 -11.959 1.00 1.00 C ATOM 0 H ALA A 81 15.819 -3.784 -9.517 1.00 1.00 H new ATOM 0 HA ALA A 81 15.356 -5.586 -11.685 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.686 -3.528 -13.045 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.587 -3.235 -11.676 1.00 1.00 H new ATOM 0 HB3 ALA A 81 16.274 -2.675 -11.598 1.00 1.00 H new ATOM 1306 N LYS A 88 15.543 -7.764 1.977 1.00 1.00 N ATOM 1307 CA LYS A 88 14.258 -7.074 1.997 1.00 1.00 C ATOM 1308 C LYS A 88 14.389 -5.714 2.673 1.00 1.00 C ATOM 1309 O LYS A 88 14.852 -5.617 3.810 1.00 1.00 O ATOM 1310 CB LYS A 88 13.223 -7.917 2.748 1.00 1.00 C ATOM 1311 CG LYS A 88 13.102 -9.289 2.081 1.00 1.00 C ATOM 1312 CD LYS A 88 13.995 -10.294 2.813 1.00 1.00 C ATOM 1313 CE LYS A 88 14.294 -11.477 1.890 1.00 1.00 C ATOM 1314 NZ LYS A 88 14.352 -12.730 2.695 1.00 1.00 N ATOM 0 HA LYS A 88 13.932 -6.927 0.967 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.520 -8.032 3.791 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.257 -7.413 2.745 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.065 -9.625 2.102 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.394 -9.223 1.033 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.924 -9.815 3.120 1.00 1.00 H new ATOM 0 HD3 LYS A 88 13.501 -10.642 3.720 1.00 1.00 H new ATOM 0 HE2 LYS A 88 13.523 -11.559 1.124 1.00 1.00 H new ATOM 0 HE3 LYS A 88 15.241 -11.319 1.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 14.555 -13.536 2.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 15.103 -12.649 3.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 13.438 -12.881 3.168 1.00 1.00 H new ATOM 1328 N ILE A 89 13.985 -4.664 1.965 1.00 1.00 N ATOM 1329 CA ILE A 89 14.069 -3.314 2.511 1.00 1.00 C ATOM 1330 C ILE A 89 13.556 -3.289 3.949 1.00 1.00 C ATOM 1331 O ILE A 89 12.758 -4.134 4.351 1.00 1.00 O ATOM 1332 CB ILE A 89 13.270 -2.335 1.621 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.246 -1.330 1.000 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.205 -1.576 2.435 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.500 -0.383 0.055 1.00 1.00 C ATOM 0 H ILE A 89 13.600 -4.720 1.022 1.00 1.00 H new ATOM 0 HA ILE A 89 15.112 -2.998 2.521 1.00 1.00 H new ATOM 0 HB ILE A 89 12.758 -2.906 0.847 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.739 -0.758 1.786 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.027 -1.860 0.454 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.662 -0.896 1.779 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.508 -2.289 2.876 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.691 -1.005 3.227 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.204 0.326 -0.380 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.028 -0.960 -0.740 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.736 0.159 0.612 1.00 1.00 H new ATOM 1347 N THR A 90 14.019 -2.306 4.711 1.00 1.00 N ATOM 1348 CA THR A 90 13.605 -2.159 6.099 1.00 1.00 C ATOM 1349 C THR A 90 13.248 -0.704 6.389 1.00 1.00 C ATOM 1350 O THR A 90 13.490 0.180 5.568 1.00 1.00 O ATOM 1351 CB THR A 90 14.732 -2.607 7.031 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.884 -1.808 6.796 1.00 1.00 O ATOM 1353 CG2 THR A 90 15.065 -4.075 6.766 1.00 1.00 C ATOM 0 H THR A 90 14.681 -1.599 4.391 1.00 1.00 H new ATOM 0 HA THR A 90 12.728 -2.783 6.271 1.00 1.00 H new ATOM 0 HB THR A 90 14.414 -2.492 8.067 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.607 -2.092 7.394 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.868 -4.392 7.431 1.00 1.00 H new ATOM 0 HG22 THR A 90 14.181 -4.687 6.947 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.383 -4.195 5.730 1.00 1.00 H new ATOM 1361 N GLU A 91 12.676 -0.464 7.562 1.00 1.00 N ATOM 1362 CA GLU A 91 12.293 0.888 7.956 1.00 1.00 C ATOM 1363 C GLU A 91 13.505 1.814 7.940 1.00 1.00 C ATOM 1364 O GLU A 91 13.381 3.018 7.712 1.00 1.00 O ATOM 1365 CB GLU A 91 11.684 0.871 9.361 1.00 1.00 C ATOM 1366 CG GLU A 91 12.773 0.560 10.389 1.00 1.00 C ATOM 1367 CD GLU A 91 13.363 1.856 10.935 1.00 1.00 C ATOM 1368 OE1 GLU A 91 12.593 2.691 11.382 1.00 1.00 O ATOM 1369 OE2 GLU A 91 14.574 1.993 10.902 1.00 1.00 O ATOM 0 H GLU A 91 12.467 -1.183 8.255 1.00 1.00 H new ATOM 0 HA GLU A 91 11.556 1.258 7.244 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.226 1.835 9.582 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.893 0.123 9.416 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.356 -0.031 11.205 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.558 -0.041 9.929 1.00 1.00 H new ATOM 1376 N ALA A 92 14.672 1.239 8.202 1.00 1.00 N ATOM 1377 CA ALA A 92 15.909 2.011 8.238 1.00 1.00 C ATOM 1378 C ALA A 92 16.446 2.260 6.831 1.00 1.00 C ATOM 1379 O ALA A 92 17.048 3.298 6.562 1.00 1.00 O ATOM 1380 CB ALA A 92 16.962 1.266 9.058 1.00 1.00 C ATOM 0 H ALA A 92 14.789 0.244 8.392 1.00 1.00 H new ATOM 0 HA ALA A 92 15.692 2.974 8.700 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.884 1.848 9.081 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.597 1.123 10.075 1.00 1.00 H new ATOM 0 HB3 ALA A 92 17.157 0.295 8.603 1.00 1.00 H new ATOM 1386 N GLU A 93 16.234 1.301 5.938 1.00 1.00 N ATOM 1387 CA GLU A 93 16.712 1.435 4.568 1.00 1.00 C ATOM 1388 C GLU A 93 15.909 2.489 3.811 1.00 1.00 C ATOM 1389 O GLU A 93 16.448 3.199 2.964 1.00 1.00 O ATOM 1390 CB GLU A 93 16.605 0.097 3.841 1.00 1.00 C ATOM 1391 CG GLU A 93 17.539 -0.921 4.500 1.00 1.00 C ATOM 1392 CD GLU A 93 18.811 -1.069 3.673 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.731 -1.641 2.598 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.844 -0.604 4.122 1.00 1.00 O ATOM 0 H GLU A 93 15.740 0.431 6.135 1.00 1.00 H new ATOM 0 HA GLU A 93 17.755 1.749 4.604 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.577 -0.264 3.872 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.868 0.220 2.790 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.788 -0.598 5.511 1.00 1.00 H new ATOM 0 HG3 GLU A 93 17.037 -1.885 4.587 1.00 1.00 H new ATOM 1401 N ILE A 94 14.617 2.578 4.111 1.00 1.00 N ATOM 1402 CA ILE A 94 13.759 3.546 3.435 1.00 1.00 C ATOM 1403 C ILE A 94 14.021 4.962 3.937 1.00 1.00 C ATOM 1404 O ILE A 94 14.164 5.893 3.145 1.00 1.00 O ATOM 1405 CB ILE A 94 12.292 3.197 3.675 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.889 2.027 2.774 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.425 4.415 3.354 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.639 1.352 3.339 1.00 1.00 C ATOM 0 H ILE A 94 14.146 2.001 4.808 1.00 1.00 H new ATOM 0 HA ILE A 94 13.985 3.505 2.369 1.00 1.00 H new ATOM 0 HB ILE A 94 12.150 2.913 4.718 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.696 2.384 1.762 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.705 1.307 2.708 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.377 4.170 3.524 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.713 5.246 3.998 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.567 4.698 2.311 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.353 0.519 2.696 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.848 0.981 4.342 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.823 2.074 3.382 1.00 1.00 H new ATOM 1420 N VAL A 95 14.094 5.118 5.253 1.00 1.00 N ATOM 1421 CA VAL A 95 14.350 6.425 5.851 1.00 1.00 C ATOM 1422 C VAL A 95 15.765 6.889 5.545 1.00 1.00 C ATOM 1423 O VAL A 95 16.009 8.069 5.290 1.00 1.00 O ATOM 1424 CB VAL A 95 14.129 6.361 7.368 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.394 5.866 8.079 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.769 7.754 7.888 1.00 1.00 C ATOM 0 H VAL A 95 13.980 4.360 5.926 1.00 1.00 H new ATOM 0 HA VAL A 95 13.654 7.145 5.421 1.00 1.00 H new ATOM 0 HB VAL A 95 13.316 5.664 7.573 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.216 5.828 9.154 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.648 4.869 7.718 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.218 6.548 7.872 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.612 7.711 8.966 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.582 8.446 7.668 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.857 8.099 7.402 1.00 1.00 H new ATOM 1436 N SER A 96 16.698 5.949 5.600 1.00 1.00 N ATOM 1437 CA SER A 96 18.106 6.261 5.358 1.00 1.00 C ATOM 1438 C SER A 96 18.289 6.897 3.986 1.00 1.00 C ATOM 1439 O SER A 96 18.984 7.903 3.849 1.00 1.00 O ATOM 1440 CB SER A 96 18.949 4.991 5.447 1.00 1.00 C ATOM 1441 OG SER A 96 18.384 3.993 4.609 1.00 1.00 O ATOM 0 H SER A 96 16.511 4.968 5.809 1.00 1.00 H new ATOM 0 HA SER A 96 18.433 6.968 6.120 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.975 5.200 5.143 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.988 4.638 6.477 1.00 1.00 H new ATOM 0 HG SER A 96 17.587 3.618 5.039 1.00 1.00 H new ATOM 1447 N ILE A 97 17.657 6.314 2.977 1.00 1.00 N ATOM 1448 CA ILE A 97 17.761 6.854 1.630 1.00 1.00 C ATOM 1449 C ILE A 97 16.974 8.159 1.551 1.00 1.00 C ATOM 1450 O ILE A 97 17.379 9.102 0.870 1.00 1.00 O ATOM 1451 CB ILE A 97 17.226 5.841 0.609 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.985 4.519 0.752 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.427 6.375 -0.813 1.00 1.00 C ATOM 1454 CD1 ILE A 97 17.163 3.387 0.132 1.00 1.00 C ATOM 0 H ILE A 97 17.076 5.480 3.063 1.00 1.00 H new ATOM 0 HA ILE A 97 18.807 7.051 1.397 1.00 1.00 H new ATOM 0 HB ILE A 97 16.163 5.683 0.793 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.955 4.590 0.260 1.00 1.00 H new ATOM 0 HG13 ILE A 97 18.176 4.309 1.804 1.00 1.00 H new ATOM 0 HG21 ILE A 97 17.045 5.650 -1.531 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.890 7.317 -0.927 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.489 6.539 -0.993 1.00 1.00 H new ATOM 0 HD11 ILE A 97 17.704 2.446 0.234 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.204 3.311 0.644 1.00 1.00 H new ATOM 0 HD13 ILE A 97 16.995 3.596 -0.925 1.00 1.00 H new ATOM 1466 N LEU A 98 15.850 8.207 2.262 1.00 1.00 N ATOM 1467 CA LEU A 98 15.013 9.404 2.278 1.00 1.00 C ATOM 1468 C LEU A 98 15.840 10.612 2.703 1.00 1.00 C ATOM 1469 O LEU A 98 15.830 11.649 2.043 1.00 1.00 O ATOM 1470 CB LEU A 98 13.848 9.205 3.254 1.00 1.00 C ATOM 1471 CG LEU A 98 12.643 10.044 2.816 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.471 9.785 3.766 1.00 1.00 C ATOM 1473 CD2 LEU A 98 13.008 11.531 2.853 1.00 1.00 C ATOM 0 H LEU A 98 15.499 7.437 2.831 1.00 1.00 H new ATOM 0 HA LEU A 98 14.619 9.578 1.276 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.572 8.151 3.293 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.154 9.492 4.260 1.00 1.00 H new ATOM 0 HG LEU A 98 12.360 9.767 1.800 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.613 10.381 3.456 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.207 8.728 3.739 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.757 10.062 4.781 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.149 12.124 2.541 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.293 11.811 3.867 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.843 11.718 2.177 1.00 1.00 H new ATOM 1485 N ASN A 99 16.564 10.462 3.808 1.00 1.00 N ATOM 1486 CA ASN A 99 17.405 11.540 4.314 1.00 1.00 C ATOM 1487 C ASN A 99 18.411 11.967 3.250 1.00 1.00 C ATOM 1488 O ASN A 99 18.775 13.139 3.157 1.00 1.00 O ATOM 1489 CB ASN A 99 18.147 11.073 5.566 1.00 1.00 C ATOM 1490 CG ASN A 99 18.244 12.214 6.572 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.017 13.152 6.375 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.506 12.189 7.649 1.00 1.00 N ATOM 0 H ASN A 99 16.585 9.609 4.367 1.00 1.00 H new ATOM 0 HA ASN A 99 16.773 12.392 4.565 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.625 10.227 6.013 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.146 10.727 5.299 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.569 12.947 8.328 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.866 11.411 7.811 1.00 1.00 H new ATOM 1499 N GLY A 100 18.851 11.003 2.449 1.00 1.00 N ATOM 1500 CA GLY A 100 19.812 11.281 1.388 1.00 1.00 C ATOM 1501 C GLY A 100 19.123 11.922 0.187 1.00 1.00 C ATOM 1502 O GLY A 100 19.723 12.719 -0.534 1.00 1.00 O ATOM 0 H GLY A 100 18.560 10.028 2.513 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.592 11.944 1.762 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.300 10.356 1.082 1.00 1.00 H new ATOM 1506 N ILE A 101 17.857 11.568 -0.019 1.00 1.00 N ATOM 1507 CA ILE A 101 17.090 12.112 -1.133 1.00 1.00 C ATOM 1508 C ILE A 101 16.711 13.566 -0.867 1.00 1.00 C ATOM 1509 O ILE A 101 16.780 14.409 -1.760 1.00 1.00 O ATOM 1510 CB ILE A 101 15.821 11.283 -1.341 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.170 10.000 -2.097 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.803 12.088 -2.149 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.290 8.856 -1.590 1.00 1.00 C ATOM 0 H ILE A 101 17.344 10.910 0.568 1.00 1.00 H new ATOM 0 HA ILE A 101 17.707 12.070 -2.031 1.00 1.00 H new ATOM 0 HB ILE A 101 15.392 11.032 -0.371 1.00 1.00 H new ATOM 0 HG12 ILE A 101 16.019 10.143 -3.167 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.222 9.755 -1.953 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.901 11.493 -2.294 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.552 13.002 -1.611 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.229 12.344 -3.119 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.537 7.941 -2.128 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.463 8.709 -0.524 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.241 9.102 -1.756 1.00 1.00 H new ATOM 1525 N ALA A 102 16.309 13.850 0.367 1.00 1.00 N ATOM 1526 CA ALA A 102 15.917 15.204 0.741 1.00 1.00 C ATOM 1527 C ALA A 102 17.082 16.172 0.558 1.00 1.00 C ATOM 1528 O ALA A 102 16.879 17.362 0.313 1.00 1.00 O ATOM 1529 CB ALA A 102 15.455 15.230 2.198 1.00 1.00 C ATOM 0 H ALA A 102 16.246 13.166 1.121 1.00 1.00 H new ATOM 0 HA ALA A 102 15.097 15.515 0.093 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.164 16.245 2.469 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.602 14.563 2.321 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.269 14.901 2.844 1.00 1.00 H new ATOM 1535 N LYS A 103 18.300 15.654 0.668 1.00 1.00 N ATOM 1536 CA LYS A 103 19.488 16.483 0.502 1.00 1.00 C ATOM 1537 C LYS A 103 19.740 16.714 -0.977 1.00 1.00 C ATOM 1538 O LYS A 103 20.004 17.835 -1.414 1.00 1.00 O ATOM 1539 CB LYS A 103 20.702 15.800 1.132 1.00 1.00 C ATOM 1540 CG LYS A 103 21.951 16.647 0.880 1.00 1.00 C ATOM 1541 CD LYS A 103 22.857 16.602 2.112 1.00 1.00 C ATOM 1542 CE LYS A 103 23.229 15.151 2.419 1.00 1.00 C ATOM 1543 NZ LYS A 103 22.390 14.650 3.546 1.00 1.00 N ATOM 0 H LYS A 103 18.490 14.672 0.870 1.00 1.00 H new ATOM 0 HA LYS A 103 19.327 17.440 0.999 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.546 15.673 2.203 1.00 1.00 H new ATOM 0 HB3 LYS A 103 20.833 14.804 0.708 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.487 16.273 0.008 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.667 17.677 0.662 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.758 17.190 1.936 1.00 1.00 H new ATOM 0 HD3 LYS A 103 22.348 17.047 2.967 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.078 14.531 1.535 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.285 15.083 2.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 23.005 14.334 4.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 21.770 15.414 3.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 21.809 13.852 3.218 1.00 1.00 H new ATOM 1557 N GLN A 104 19.650 15.634 -1.739 1.00 1.00 N ATOM 1558 CA GLN A 104 19.858 15.692 -3.175 1.00 1.00 C ATOM 1559 C GLN A 104 18.816 16.606 -3.817 1.00 1.00 C ATOM 1560 O GLN A 104 19.159 17.577 -4.490 1.00 1.00 O ATOM 1561 CB GLN A 104 19.758 14.272 -3.746 1.00 1.00 C ATOM 1562 CG GLN A 104 19.371 14.317 -5.224 1.00 1.00 C ATOM 1563 CD GLN A 104 20.233 15.339 -5.961 1.00 1.00 C ATOM 1564 OE1 GLN A 104 21.393 15.541 -5.604 1.00 1.00 O ATOM 1565 NE2 GLN A 104 19.730 16.003 -6.966 1.00 1.00 N ATOM 0 H GLN A 104 19.433 14.703 -1.383 1.00 1.00 H new ATOM 0 HA GLN A 104 20.845 16.099 -3.393 1.00 1.00 H new ATOM 0 HB2 GLN A 104 20.712 13.758 -3.629 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.017 13.700 -3.187 1.00 1.00 H new ATOM 0 HG2 GLN A 104 19.499 13.331 -5.672 1.00 1.00 H new ATOM 0 HG3 GLN A 104 18.318 14.578 -5.324 1.00 1.00 H new ATOM 0 HE21 GLN A 104 18.768 15.833 -7.259 1.00 1.00 H new ATOM 0 HE22 GLN A 104 20.299 16.692 -7.458 1.00 1.00 H new