USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 777 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 49 THR OG1 : rot 168:sc= -0.327 USER MOD Set 1.2: A 87 LYS NZ :NH3+ -175:sc= 0.979 (180deg=0.803) USER MOD Set 2.1: A 1 LYS NZ :NH3+ 177:sc= 2.03 (180deg=1.13) USER MOD Set 2.2: A 22 SER OG : rot 36:sc= 1.87 USER MOD Set 3.1: A 9 GLN : amide:sc= 2 K(o=2.8,f=-0.7) USER MOD Set 3.2: A 45 ASN : amide:sc= 0.797 K(o=2.8,f=0.34) USER MOD Single : A 1 LYS N :NH3+ 173:sc= 0.389 (180deg=0.367) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 2.27 (180deg=1.15) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.08) USER MOD Single : A 47 GLN : amide:sc= 0.972 K(o=0.97,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 1.29 K(o=1.3,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= 1.17 (180deg=-0.0548) USER MOD Single : A 74 TYR OH : rot 170:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 1 K(o=1,f=-6.7!) USER MOD Single : A 82 ASN : amide:sc= 1.55 K(o=1.6,f=-3!) USER MOD Single : A 84 THR OG1 : rot 141:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 2.879 12.580 4.734 1.00 0.00 N ATOM 36 CA LYS A 1 1.486 12.968 5.096 1.00 0.00 C ATOM 37 C LYS A 1 0.953 12.047 6.241 1.00 0.00 C ATOM 38 O LYS A 1 1.614 11.936 7.275 1.00 0.00 O ATOM 39 CB LYS A 1 0.687 13.140 3.759 1.00 0.00 C ATOM 40 CG LYS A 1 -0.724 13.793 3.816 1.00 0.00 C ATOM 41 CD LYS A 1 -0.795 15.337 3.928 1.00 0.00 C ATOM 42 CE LYS A 1 -0.142 15.888 5.207 1.00 0.00 C ATOM 43 NZ LYS A 1 -0.656 17.202 5.652 1.00 0.00 N ATOM 0 H1 LYS A 1 3.182 13.116 3.896 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.516 12.791 5.529 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.912 11.562 4.524 1.00 0.00 H new ATOM 0 HA LYS A 1 1.376 13.941 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.300 13.734 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.578 12.153 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.268 13.496 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.256 13.369 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.306 15.780 3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.839 15.648 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.286 15.166 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.932 15.971 5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -0.196 17.470 6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -0.449 17.919 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.684 17.142 5.796 1.00 0.00 H new ATOM 57 N VAL A 2 -0.226 11.422 6.117 1.00 0.00 N ATOM 58 CA VAL A 2 -0.649 10.316 7.031 1.00 0.00 C ATOM 59 C VAL A 2 -0.758 9.077 6.095 1.00 0.00 C ATOM 60 O VAL A 2 -1.808 8.835 5.487 1.00 0.00 O ATOM 61 CB VAL A 2 -1.939 10.661 7.858 1.00 0.00 C ATOM 62 CG1 VAL A 2 -2.312 9.572 8.881 1.00 0.00 C ATOM 63 CG2 VAL A 2 -1.854 11.996 8.638 1.00 0.00 C ATOM 0 H VAL A 2 -0.913 11.652 5.399 1.00 0.00 H new ATOM 0 HA VAL A 2 0.063 10.125 7.834 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.703 10.739 7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.211 9.871 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.496 8.632 8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.493 9.441 9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.784 12.159 9.182 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.024 11.953 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.694 12.816 7.939 1.00 0.00 H new ATOM 73 N ASP A 3 0.362 8.348 5.923 1.00 0.00 N ATOM 74 CA ASP A 3 0.506 7.329 4.852 1.00 0.00 C ATOM 75 C ASP A 3 -0.029 5.956 5.364 1.00 0.00 C ATOM 76 O ASP A 3 0.687 5.178 6.006 1.00 0.00 O ATOM 77 CB ASP A 3 1.997 7.204 4.430 1.00 0.00 C ATOM 78 CG ASP A 3 2.713 8.388 3.777 1.00 0.00 C ATOM 79 OD1 ASP A 3 2.591 9.550 4.221 1.00 0.00 O ATOM 80 OD2 ASP A 3 3.421 8.160 2.773 1.00 0.00 O ATOM 0 H ASP A 3 1.188 8.443 6.514 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.075 7.636 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.564 6.935 5.321 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.069 6.363 3.741 1.00 0.00 H new ATOM 85 N ILE A 4 -1.310 5.679 5.093 1.00 0.00 N ATOM 86 CA ILE A 4 -2.048 4.529 5.692 1.00 0.00 C ATOM 87 C ILE A 4 -1.830 3.291 4.759 1.00 0.00 C ATOM 88 O ILE A 4 -2.565 3.107 3.786 1.00 0.00 O ATOM 89 CB ILE A 4 -3.554 4.958 5.865 1.00 0.00 C ATOM 90 CG1 ILE A 4 -3.805 6.211 6.768 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.505 3.817 6.315 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.902 7.156 6.251 1.00 0.00 C ATOM 0 H ILE A 4 -1.876 6.238 4.454 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.689 4.248 6.682 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.801 5.238 4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.074 5.874 7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.874 6.770 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.520 4.204 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.488 3.017 5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.176 3.428 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.010 7.997 6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.628 7.526 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.847 6.616 6.187 1.00 0.00 H new ATOM 104 N THR A 5 -0.794 2.482 5.040 1.00 0.00 N ATOM 105 CA THR A 5 -0.395 1.322 4.191 1.00 0.00 C ATOM 106 C THR A 5 -0.840 0.004 4.894 1.00 0.00 C ATOM 107 O THR A 5 -0.230 -0.440 5.874 1.00 0.00 O ATOM 108 CB THR A 5 1.129 1.398 3.876 1.00 0.00 C ATOM 109 OG1 THR A 5 1.437 2.655 3.280 1.00 0.00 O ATOM 110 CG2 THR A 5 1.631 0.321 2.899 1.00 0.00 C ATOM 0 H THR A 5 -0.202 2.606 5.861 1.00 0.00 H new ATOM 0 HA THR A 5 -0.898 1.345 3.224 1.00 0.00 H new ATOM 0 HB THR A 5 1.621 1.247 4.837 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.397 2.698 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.701 0.448 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.443 -0.667 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.105 0.418 1.949 1.00 0.00 H new ATOM 118 N ILE A 6 -1.931 -0.599 4.393 1.00 0.00 N ATOM 119 CA ILE A 6 -2.576 -1.781 5.040 1.00 0.00 C ATOM 120 C ILE A 6 -2.184 -3.050 4.216 1.00 0.00 C ATOM 121 O ILE A 6 -2.717 -3.286 3.129 1.00 0.00 O ATOM 122 CB ILE A 6 -4.128 -1.575 5.208 1.00 0.00 C ATOM 123 CG1 ILE A 6 -4.482 -0.279 6.006 1.00 0.00 C ATOM 124 CG2 ILE A 6 -4.802 -2.814 5.861 1.00 0.00 C ATOM 125 CD1 ILE A 6 -5.974 0.008 6.238 1.00 0.00 C ATOM 0 H ILE A 6 -2.396 -0.294 3.538 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.214 -1.913 6.060 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.526 -1.454 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.992 -0.334 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.050 0.572 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.873 -2.635 5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.637 -3.690 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.369 -2.986 6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.083 0.934 6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.479 0.107 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.420 -0.813 6.799 1.00 0.00 H new ATOM 137 N LYS A 7 -1.278 -3.875 4.767 1.00 0.00 N ATOM 138 CA LYS A 7 -0.866 -5.173 4.168 1.00 0.00 C ATOM 139 C LYS A 7 -1.759 -6.332 4.721 1.00 0.00 C ATOM 140 O LYS A 7 -1.586 -6.802 5.853 1.00 0.00 O ATOM 141 CB LYS A 7 0.640 -5.384 4.494 1.00 0.00 C ATOM 142 CG LYS A 7 1.656 -4.627 3.595 1.00 0.00 C ATOM 143 CD LYS A 7 2.386 -5.587 2.636 1.00 0.00 C ATOM 144 CE LYS A 7 3.497 -4.946 1.787 1.00 0.00 C ATOM 145 NZ LYS A 7 3.941 -5.957 0.788 1.00 0.00 N ATOM 0 H LYS A 7 -0.803 -3.667 5.645 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.001 -5.168 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.810 -5.085 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.857 -6.450 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.135 -3.862 3.019 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.385 -4.113 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.820 -6.398 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.651 -6.034 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.128 -4.050 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.331 -4.639 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.838 -5.651 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.077 -6.874 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.218 -6.053 0.046 1.00 0.00 H new ATOM 159 N ILE A 8 -2.718 -6.789 3.898 1.00 0.00 N ATOM 160 CA ILE A 8 -3.707 -7.839 4.280 1.00 0.00 C ATOM 161 C ILE A 8 -3.120 -9.217 3.803 1.00 0.00 C ATOM 162 O ILE A 8 -3.269 -9.595 2.634 1.00 0.00 O ATOM 163 CB ILE A 8 -5.122 -7.477 3.677 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.653 -6.059 4.062 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.192 -8.531 4.040 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.973 -5.598 3.412 1.00 0.00 C ATOM 0 H ILE A 8 -2.838 -6.447 2.945 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.868 -7.903 5.356 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.951 -7.473 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.781 -6.029 5.144 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.882 -5.331 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.149 -8.243 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.893 -9.503 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.290 -8.592 5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.224 -4.598 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.858 -5.580 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.772 -6.289 3.681 1.00 0.00 H new ATOM 178 N GLN A 9 -2.420 -9.947 4.693 1.00 0.00 N ATOM 179 CA GLN A 9 -1.573 -11.114 4.309 1.00 0.00 C ATOM 180 C GLN A 9 -2.349 -12.467 4.445 1.00 0.00 C ATOM 181 O GLN A 9 -2.627 -12.940 5.552 1.00 0.00 O ATOM 182 CB GLN A 9 -0.277 -11.012 5.156 1.00 0.00 C ATOM 183 CG GLN A 9 0.820 -12.059 4.839 1.00 0.00 C ATOM 184 CD GLN A 9 2.017 -11.985 5.793 1.00 0.00 C ATOM 185 OE1 GLN A 9 2.019 -12.569 6.872 1.00 0.00 O ATOM 186 NE2 GLN A 9 3.060 -11.269 5.447 1.00 0.00 N ATOM 0 H GLN A 9 -2.419 -9.753 5.694 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.303 -11.095 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.147 -10.017 5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.545 -11.102 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.386 -13.057 4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.169 -11.913 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.068 -10.780 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.863 -11.202 6.073 1.00 0.00 H new ATOM 195 N ARG A 10 -2.706 -13.074 3.297 1.00 0.00 N ATOM 196 CA ARG A 10 -3.630 -14.247 3.248 1.00 0.00 C ATOM 197 C ARG A 10 -2.969 -15.469 2.525 1.00 0.00 C ATOM 198 O ARG A 10 -3.304 -15.774 1.375 1.00 0.00 O ATOM 199 CB ARG A 10 -4.928 -13.786 2.520 1.00 0.00 C ATOM 200 CG ARG A 10 -5.779 -12.692 3.205 1.00 0.00 C ATOM 201 CD ARG A 10 -6.809 -12.020 2.280 1.00 0.00 C ATOM 202 NE ARG A 10 -7.991 -12.884 2.013 1.00 0.00 N ATOM 203 CZ ARG A 10 -8.226 -13.568 0.898 1.00 0.00 C ATOM 204 NH1 ARG A 10 -7.345 -13.723 -0.060 1.00 0.00 N ATOM 205 NH2 ARG A 10 -9.398 -14.113 0.764 1.00 0.00 N ATOM 0 H ARG A 10 -2.371 -12.777 2.380 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.864 -14.586 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.649 -13.425 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.560 -14.661 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.303 -13.133 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.113 -11.927 3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.142 -11.086 2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.330 -11.764 1.335 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.686 -12.958 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.418 -13.306 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.586 -14.260 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.097 -14.007 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.619 -14.647 -0.077 1.00 0.00 H new ATOM 219 N ASP A 11 -2.028 -16.173 3.191 1.00 0.00 N ATOM 220 CA ASP A 11 -1.337 -17.391 2.636 1.00 0.00 C ATOM 221 C ASP A 11 -0.759 -17.247 1.179 1.00 0.00 C ATOM 222 O ASP A 11 -1.211 -17.901 0.233 1.00 0.00 O ATOM 223 CB ASP A 11 -2.222 -18.661 2.814 1.00 0.00 C ATOM 224 CG ASP A 11 -2.460 -19.099 4.251 1.00 0.00 C ATOM 225 OD1 ASP A 11 -1.488 -19.442 4.953 1.00 0.00 O ATOM 226 OD2 ASP A 11 -3.614 -19.055 4.726 1.00 0.00 O ATOM 0 H ASP A 11 -1.715 -15.925 4.130 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.437 -17.507 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.188 -18.478 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.756 -19.485 2.274 1.00 0.00 H new ATOM 231 N GLY A 12 0.202 -16.325 0.985 1.00 0.00 N ATOM 232 CA GLY A 12 0.611 -15.890 -0.383 1.00 0.00 C ATOM 233 C GLY A 12 -0.153 -14.697 -1.014 1.00 0.00 C ATOM 234 O GLY A 12 0.472 -13.874 -1.686 1.00 0.00 O ATOM 0 H GLY A 12 0.710 -15.866 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.670 -15.632 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.511 -16.745 -1.052 1.00 0.00 H new ATOM 238 N GLN A 13 -1.481 -14.589 -0.823 1.00 0.00 N ATOM 239 CA GLN A 13 -2.289 -13.432 -1.311 1.00 0.00 C ATOM 240 C GLN A 13 -2.130 -12.184 -0.377 1.00 0.00 C ATOM 241 O GLN A 13 -2.974 -11.911 0.485 1.00 0.00 O ATOM 242 CB GLN A 13 -3.773 -13.892 -1.453 1.00 0.00 C ATOM 243 CG GLN A 13 -4.091 -14.896 -2.591 1.00 0.00 C ATOM 244 CD GLN A 13 -4.102 -14.300 -4.001 1.00 0.00 C ATOM 245 OE1 GLN A 13 -5.025 -13.595 -4.395 1.00 0.00 O ATOM 246 NE2 GLN A 13 -3.103 -14.566 -4.808 1.00 0.00 N ATOM 0 H GLN A 13 -2.031 -15.292 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.927 -13.111 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.081 -14.341 -0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.390 -13.006 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.357 -15.701 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.065 -15.345 -2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.331 -15.151 -4.488 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.098 -14.187 -5.755 1.00 0.00 H new ATOM 255 N GLU A 14 -1.035 -11.425 -0.559 1.00 0.00 N ATOM 256 CA GLU A 14 -0.749 -10.209 0.250 1.00 0.00 C ATOM 257 C GLU A 14 -1.300 -8.933 -0.458 1.00 0.00 C ATOM 258 O GLU A 14 -0.733 -8.444 -1.440 1.00 0.00 O ATOM 259 CB GLU A 14 0.766 -10.173 0.581 1.00 0.00 C ATOM 260 CG GLU A 14 1.152 -9.091 1.620 1.00 0.00 C ATOM 261 CD GLU A 14 2.589 -9.163 2.108 1.00 0.00 C ATOM 262 OE1 GLU A 14 2.858 -9.913 3.068 1.00 0.00 O ATOM 263 OE2 GLU A 14 3.444 -8.425 1.571 1.00 0.00 O ATOM 0 H GLU A 14 -0.324 -11.628 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.274 -10.238 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.070 -11.150 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.325 -9.997 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.980 -8.108 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.486 -9.177 2.479 1.00 0.00 H new ATOM 270 N ILE A 15 -2.432 -8.407 0.044 1.00 0.00 N ATOM 271 CA ILE A 15 -3.148 -7.266 -0.601 1.00 0.00 C ATOM 272 C ILE A 15 -2.715 -5.957 0.140 1.00 0.00 C ATOM 273 O ILE A 15 -3.131 -5.706 1.277 1.00 0.00 O ATOM 274 CB ILE A 15 -4.706 -7.487 -0.649 1.00 0.00 C ATOM 275 CG1 ILE A 15 -5.153 -8.850 -1.266 1.00 0.00 C ATOM 276 CG2 ILE A 15 -5.403 -6.332 -1.421 1.00 0.00 C ATOM 277 CD1 ILE A 15 -6.621 -9.237 -1.007 1.00 0.00 C ATOM 0 H ILE A 15 -2.880 -8.747 0.895 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.868 -7.184 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.015 -7.500 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.988 -8.815 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.511 -9.637 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.479 -6.505 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.198 -5.385 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.022 -6.294 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.832 -10.198 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.794 -9.311 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.278 -8.476 -1.428 1.00 0.00 H new ATOM 289 N GLU A 16 -1.876 -5.140 -0.517 1.00 0.00 N ATOM 290 CA GLU A 16 -1.303 -3.898 0.071 1.00 0.00 C ATOM 291 C GLU A 16 -1.990 -2.602 -0.465 1.00 0.00 C ATOM 292 O GLU A 16 -1.993 -2.339 -1.672 1.00 0.00 O ATOM 293 CB GLU A 16 0.239 -3.933 -0.084 1.00 0.00 C ATOM 294 CG GLU A 16 0.866 -3.972 -1.507 1.00 0.00 C ATOM 295 CD GLU A 16 2.337 -4.339 -1.473 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.655 -5.548 -1.475 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.188 -3.439 -1.336 1.00 0.00 O ATOM 0 H GLU A 16 -1.569 -5.314 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.520 -3.864 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.638 -3.055 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.602 -4.807 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.327 -4.694 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.747 -2.998 -1.982 1.00 0.00 H new ATOM 304 N ILE A 17 -2.591 -1.805 0.442 1.00 0.00 N ATOM 305 CA ILE A 17 -3.392 -0.597 0.064 1.00 0.00 C ATOM 306 C ILE A 17 -2.763 0.649 0.770 1.00 0.00 C ATOM 307 O ILE A 17 -2.893 0.786 1.992 1.00 0.00 O ATOM 308 CB ILE A 17 -4.931 -0.734 0.397 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.631 -2.055 -0.053 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.732 0.447 -0.214 1.00 0.00 C ATOM 311 CD1 ILE A 17 -5.577 -3.187 0.988 1.00 0.00 C ATOM 0 H ILE A 17 -2.543 -1.968 1.448 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.348 -0.483 -1.019 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.942 -0.736 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.674 -1.839 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.166 -2.403 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.789 0.333 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.365 1.387 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.605 0.451 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.086 -4.067 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.537 -3.435 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.069 -2.862 1.905 1.00 0.00 H new ATOM 323 N ASP A 18 -2.138 1.567 0.008 1.00 0.00 N ATOM 324 CA ASP A 18 -1.588 2.850 0.535 1.00 0.00 C ATOM 325 C ASP A 18 -2.527 4.073 0.251 1.00 0.00 C ATOM 326 O ASP A 18 -2.898 4.333 -0.899 1.00 0.00 O ATOM 327 CB ASP A 18 -0.130 3.039 0.031 1.00 0.00 C ATOM 328 CG ASP A 18 0.100 3.214 -1.475 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.174 2.264 -2.239 1.00 0.00 O ATOM 330 OD2 ASP A 18 0.569 4.296 -1.890 1.00 0.00 O ATOM 0 H ASP A 18 -1.995 1.448 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.551 2.797 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.286 3.912 0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.450 2.176 0.358 1.00 0.00 H new ATOM 335 N ILE A 19 -2.912 4.839 1.295 1.00 0.00 N ATOM 336 CA ILE A 19 -3.726 6.090 1.129 1.00 0.00 C ATOM 337 C ILE A 19 -3.110 7.264 1.975 1.00 0.00 C ATOM 338 O ILE A 19 -2.969 7.159 3.196 1.00 0.00 O ATOM 339 CB ILE A 19 -5.278 5.891 1.343 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.699 5.438 2.772 1.00 0.00 C ATOM 341 CG2 ILE A 19 -5.899 4.956 0.271 1.00 0.00 C ATOM 342 CD1 ILE A 19 -7.199 5.491 3.111 1.00 0.00 C ATOM 0 H ILE A 19 -2.679 4.624 2.264 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.660 6.375 0.079 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.686 6.894 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.355 4.414 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.167 6.058 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.967 4.848 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.745 5.385 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.421 3.978 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.353 5.150 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.558 6.515 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.750 4.846 2.427 1.00 0.00 H new ATOM 354 N ARG A 20 -2.758 8.399 1.334 1.00 0.00 N ATOM 355 CA ARG A 20 -2.257 9.618 2.041 1.00 0.00 C ATOM 356 C ARG A 20 -3.426 10.617 2.343 1.00 0.00 C ATOM 357 O ARG A 20 -4.018 11.178 1.416 1.00 0.00 O ATOM 358 CB ARG A 20 -1.163 10.313 1.179 1.00 0.00 C ATOM 359 CG ARG A 20 0.250 9.704 1.308 1.00 0.00 C ATOM 360 CD ARG A 20 1.311 10.498 0.519 1.00 0.00 C ATOM 361 NE ARG A 20 2.650 10.047 0.976 1.00 0.00 N ATOM 362 CZ ARG A 20 3.757 10.776 1.000 1.00 0.00 C ATOM 363 NH1 ARG A 20 3.900 11.905 0.355 1.00 0.00 N ATOM 364 NH2 ARG A 20 4.737 10.317 1.713 1.00 0.00 N ATOM 0 H ARG A 20 -2.809 8.506 0.321 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.825 9.311 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.466 10.273 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.116 11.366 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.533 9.672 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.232 8.674 0.951 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.196 10.329 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.190 11.568 0.688 1.00 0.00 H new ATOM 0 HE ARG A 20 2.725 9.084 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.132 12.272 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.779 12.419 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.632 9.437 2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.614 10.835 1.769 1.00 0.00 H new ATOM 378 N VAL A 21 -3.742 10.856 3.630 1.00 0.00 N ATOM 379 CA VAL A 21 -4.919 11.702 4.037 1.00 0.00 C ATOM 380 C VAL A 21 -4.477 12.768 5.107 1.00 0.00 C ATOM 381 O VAL A 21 -3.630 12.493 5.956 1.00 0.00 O ATOM 382 CB VAL A 21 -6.106 10.780 4.520 1.00 0.00 C ATOM 383 CG1 VAL A 21 -7.374 11.558 4.947 1.00 0.00 C ATOM 384 CG2 VAL A 21 -6.590 9.752 3.462 1.00 0.00 C ATOM 0 H VAL A 21 -3.210 10.483 4.417 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.291 12.263 3.180 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.652 10.272 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.143 10.854 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.130 12.226 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.743 12.142 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.406 9.160 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.939 10.280 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.765 9.093 3.191 1.00 0.00 H new ATOM 394 N SER A 22 -5.070 13.983 5.129 1.00 0.00 N ATOM 395 CA SER A 22 -5.024 14.872 6.335 1.00 0.00 C ATOM 396 C SER A 22 -6.183 15.905 6.306 1.00 0.00 C ATOM 397 O SER A 22 -6.095 16.897 5.570 1.00 0.00 O ATOM 398 CB SER A 22 -3.662 15.592 6.528 1.00 0.00 C ATOM 399 OG SER A 22 -3.477 16.655 5.587 1.00 0.00 O ATOM 0 H SER A 22 -5.583 14.376 4.340 1.00 0.00 H new ATOM 0 HA SER A 22 -5.147 14.213 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.603 15.991 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.852 14.870 6.422 1.00 0.00 H new ATOM 0 HG SER A 22 -4.337 17.093 5.416 1.00 0.00 H new ATOM 405 N THR A 23 -7.259 15.675 7.080 1.00 0.00 N ATOM 406 CA THR A 23 -8.497 16.517 6.995 1.00 0.00 C ATOM 407 C THR A 23 -9.522 16.401 8.174 1.00 0.00 C ATOM 408 O THR A 23 -10.159 17.417 8.465 1.00 0.00 O ATOM 409 CB THR A 23 -9.217 16.385 5.609 1.00 0.00 C ATOM 410 OG1 THR A 23 -10.336 17.267 5.545 1.00 0.00 O ATOM 411 CG2 THR A 23 -9.678 14.965 5.236 1.00 0.00 C ATOM 0 H THR A 23 -7.311 14.925 7.769 1.00 0.00 H new ATOM 0 HA THR A 23 -8.094 17.524 7.100 1.00 0.00 H new ATOM 0 HB THR A 23 -8.453 16.654 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.775 17.175 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.163 14.985 4.260 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.815 14.300 5.199 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.383 14.603 5.984 1.00 0.00 H new ATOM 419 N GLY A 24 -9.799 15.211 8.747 1.00 0.00 N ATOM 420 CA GLY A 24 -10.990 15.003 9.630 1.00 0.00 C ATOM 421 C GLY A 24 -12.355 14.991 8.899 1.00 0.00 C ATOM 422 O GLY A 24 -13.135 15.934 9.051 1.00 0.00 O ATOM 0 H GLY A 24 -9.224 14.378 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.870 14.057 10.159 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.006 15.790 10.384 1.00 0.00 H new ATOM 426 N LYS A 25 -12.594 13.954 8.078 1.00 0.00 N ATOM 427 CA LYS A 25 -13.826 13.800 7.241 1.00 0.00 C ATOM 428 C LYS A 25 -13.743 12.534 6.327 1.00 0.00 C ATOM 429 O LYS A 25 -14.586 11.640 6.442 1.00 0.00 O ATOM 430 CB LYS A 25 -14.337 15.065 6.469 1.00 0.00 C ATOM 431 CG LYS A 25 -13.301 15.816 5.597 1.00 0.00 C ATOM 432 CD LYS A 25 -13.808 17.126 4.965 1.00 0.00 C ATOM 433 CE LYS A 25 -14.556 16.913 3.637 1.00 0.00 C ATOM 434 NZ LYS A 25 -14.922 18.226 3.044 1.00 0.00 N ATOM 0 H LYS A 25 -11.937 13.182 7.966 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.613 13.657 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.164 14.761 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.741 15.768 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.428 16.040 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.969 15.151 4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.470 17.629 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.961 17.790 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.929 16.353 2.943 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.454 16.318 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.427 18.073 2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.536 18.745 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.059 18.779 2.866 1.00 0.00 H new ATOM 448 N GLU A 26 -12.754 12.465 5.414 1.00 0.00 N ATOM 449 CA GLU A 26 -12.590 11.313 4.476 1.00 0.00 C ATOM 450 C GLU A 26 -11.807 10.082 5.049 1.00 0.00 C ATOM 451 O GLU A 26 -12.066 8.958 4.609 1.00 0.00 O ATOM 452 CB GLU A 26 -12.015 11.783 3.108 1.00 0.00 C ATOM 453 CG GLU A 26 -12.715 12.955 2.354 1.00 0.00 C ATOM 454 CD GLU A 26 -14.241 12.997 2.377 1.00 0.00 C ATOM 455 OE1 GLU A 26 -14.902 12.009 2.000 1.00 0.00 O ATOM 456 OE2 GLU A 26 -14.806 14.007 2.840 1.00 0.00 O ATOM 0 H GLU A 26 -12.048 13.192 5.298 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.599 10.931 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.976 12.070 3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.008 10.921 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.347 13.892 2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.395 12.923 1.312 1.00 0.00 H new ATOM 463 N LEU A 27 -10.926 10.252 6.061 1.00 0.00 N ATOM 464 CA LEU A 27 -10.494 9.136 6.962 1.00 0.00 C ATOM 465 C LEU A 27 -11.673 8.350 7.617 1.00 0.00 C ATOM 466 O LEU A 27 -11.694 7.125 7.530 1.00 0.00 O ATOM 467 CB LEU A 27 -9.494 9.705 8.016 1.00 0.00 C ATOM 468 CG LEU A 27 -8.811 8.759 9.050 1.00 0.00 C ATOM 469 CD1 LEU A 27 -9.713 8.267 10.198 1.00 0.00 C ATOM 470 CD2 LEU A 27 -8.054 7.590 8.401 1.00 0.00 C ATOM 0 H LEU A 27 -10.494 11.149 6.282 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.995 8.385 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.699 10.208 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.024 10.471 8.582 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.077 9.413 9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.139 7.617 10.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.082 9.123 10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.556 7.713 9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.603 6.972 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.748 6.987 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.273 7.980 7.749 1.00 0.00 H new ATOM 482 N GLU A 28 -12.649 9.033 8.233 1.00 0.00 N ATOM 483 CA GLU A 28 -13.832 8.395 8.869 1.00 0.00 C ATOM 484 C GLU A 28 -14.745 7.547 7.910 1.00 0.00 C ATOM 485 O GLU A 28 -15.208 6.469 8.294 1.00 0.00 O ATOM 486 CB GLU A 28 -14.599 9.515 9.632 1.00 0.00 C ATOM 487 CG GLU A 28 -13.813 10.284 10.744 1.00 0.00 C ATOM 488 CD GLU A 28 -13.024 11.535 10.334 1.00 0.00 C ATOM 489 OE1 GLU A 28 -12.207 11.492 9.384 1.00 0.00 O ATOM 490 OE2 GLU A 28 -13.210 12.582 10.984 1.00 0.00 O ATOM 0 H GLU A 28 -12.648 10.050 8.309 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.482 7.627 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.951 10.243 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.483 9.069 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.526 10.576 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.115 9.585 11.204 1.00 0.00 H new ATOM 497 N ARG A 29 -14.933 7.984 6.649 1.00 0.00 N ATOM 498 CA ARG A 29 -15.414 7.099 5.544 1.00 0.00 C ATOM 499 C ARG A 29 -14.427 5.951 5.137 1.00 0.00 C ATOM 500 O ARG A 29 -14.825 4.782 5.163 1.00 0.00 O ATOM 501 CB ARG A 29 -15.812 7.985 4.327 1.00 0.00 C ATOM 502 CG ARG A 29 -17.163 8.719 4.489 1.00 0.00 C ATOM 503 CD ARG A 29 -17.483 9.723 3.359 1.00 0.00 C ATOM 504 NE ARG A 29 -16.890 11.079 3.564 1.00 0.00 N ATOM 505 CZ ARG A 29 -17.382 12.014 4.377 1.00 0.00 C ATOM 506 NH1 ARG A 29 -18.341 11.788 5.241 1.00 0.00 N ATOM 507 NH2 ARG A 29 -16.894 13.213 4.320 1.00 0.00 N ATOM 0 H ARG A 29 -14.761 8.947 6.359 1.00 0.00 H new ATOM 0 HA ARG A 29 -16.284 6.563 5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -15.028 8.724 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.857 7.359 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -17.961 7.979 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -17.162 9.250 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -17.120 9.318 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -18.565 9.821 3.270 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.044 11.307 3.042 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.751 10.857 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.678 12.543 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.146 13.428 3.661 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.258 13.941 4.934 1.00 0.00 H new ATOM 521 N ALA A 30 -13.167 6.258 4.760 1.00 0.00 N ATOM 522 CA ALA A 30 -12.172 5.237 4.331 1.00 0.00 C ATOM 523 C ALA A 30 -11.772 4.163 5.393 1.00 0.00 C ATOM 524 O ALA A 30 -11.820 2.974 5.081 1.00 0.00 O ATOM 525 CB ALA A 30 -10.954 5.994 3.764 1.00 0.00 C ATOM 0 H ALA A 30 -12.807 7.212 4.742 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.650 4.618 3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.200 5.278 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.267 6.603 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.533 6.637 4.537 1.00 0.00 H new ATOM 531 N LEU A 31 -11.434 4.547 6.640 1.00 0.00 N ATOM 532 CA LEU A 31 -11.253 3.601 7.780 1.00 0.00 C ATOM 533 C LEU A 31 -12.467 2.647 8.079 1.00 0.00 C ATOM 534 O LEU A 31 -12.226 1.459 8.304 1.00 0.00 O ATOM 535 CB LEU A 31 -10.802 4.441 9.014 1.00 0.00 C ATOM 536 CG LEU A 31 -10.353 3.652 10.276 1.00 0.00 C ATOM 537 CD1 LEU A 31 -8.952 3.029 10.118 1.00 0.00 C ATOM 538 CD2 LEU A 31 -10.347 4.567 11.509 1.00 0.00 C ATOM 0 H LEU A 31 -11.277 5.522 6.895 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.484 2.880 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.977 5.083 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.626 5.095 9.298 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.074 2.844 10.404 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.689 2.490 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.954 2.338 9.275 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.221 3.818 9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.030 3.998 12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.656 5.394 11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.350 4.959 11.676 1.00 0.00 H new ATOM 550 N GLN A 32 -13.737 3.110 8.052 1.00 0.00 N ATOM 551 CA GLN A 32 -14.925 2.215 8.175 1.00 0.00 C ATOM 552 C GLN A 32 -15.157 1.237 6.968 1.00 0.00 C ATOM 553 O GLN A 32 -15.419 0.053 7.198 1.00 0.00 O ATOM 554 CB GLN A 32 -16.162 3.097 8.498 1.00 0.00 C ATOM 555 CG GLN A 32 -17.277 2.408 9.325 1.00 0.00 C ATOM 556 CD GLN A 32 -18.175 1.404 8.588 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.897 1.742 7.655 1.00 0.00 O ATOM 558 NE2 GLN A 32 -18.205 0.151 8.980 1.00 0.00 N ATOM 0 H GLN A 32 -13.972 4.097 7.946 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.736 1.521 8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.825 3.980 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.593 3.445 7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.807 1.891 10.162 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.914 3.185 9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.615 -0.156 9.753 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.819 -0.515 8.511 1.00 0.00 H new ATOM 567 N GLU A 33 -15.022 1.670 5.693 1.00 0.00 N ATOM 568 CA GLU A 33 -14.935 0.715 4.545 1.00 0.00 C ATOM 569 C GLU A 33 -13.659 -0.210 4.520 1.00 0.00 C ATOM 570 O GLU A 33 -13.771 -1.355 4.088 1.00 0.00 O ATOM 571 CB GLU A 33 -15.243 1.446 3.212 1.00 0.00 C ATOM 572 CG GLU A 33 -15.433 0.544 1.954 1.00 0.00 C ATOM 573 CD GLU A 33 -16.566 -0.485 1.966 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.754 -0.102 1.893 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.292 -1.706 1.972 1.00 0.00 O ATOM 0 H GLU A 33 -14.971 2.654 5.428 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.719 -0.027 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.148 2.037 3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.432 2.146 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.586 1.198 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.499 0.009 1.784 1.00 0.00 H new ATOM 582 N LEU A 34 -12.481 0.208 5.021 1.00 0.00 N ATOM 583 CA LEU A 34 -11.308 -0.698 5.243 1.00 0.00 C ATOM 584 C LEU A 34 -11.474 -1.742 6.409 1.00 0.00 C ATOM 585 O LEU A 34 -11.163 -2.920 6.211 1.00 0.00 O ATOM 586 CB LEU A 34 -10.024 0.174 5.361 1.00 0.00 C ATOM 587 CG LEU A 34 -9.574 0.889 4.052 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.633 2.068 4.349 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.913 -0.070 3.044 1.00 0.00 C ATOM 0 H LEU A 34 -12.303 1.177 5.286 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.226 -1.350 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.189 0.930 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.207 -0.459 5.707 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.486 1.270 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.339 2.544 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.147 2.794 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.745 1.704 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.621 0.484 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.030 -0.521 3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.620 -0.853 2.769 1.00 0.00 H new ATOM 601 N GLU A 35 -12.030 -1.351 7.577 1.00 0.00 N ATOM 602 CA GLU A 35 -12.692 -2.279 8.554 1.00 0.00 C ATOM 603 C GLU A 35 -13.649 -3.354 7.912 1.00 0.00 C ATOM 604 O GLU A 35 -13.430 -4.564 8.045 1.00 0.00 O ATOM 605 CB GLU A 35 -13.415 -1.342 9.567 1.00 0.00 C ATOM 606 CG GLU A 35 -14.246 -2.014 10.691 1.00 0.00 C ATOM 607 CD GLU A 35 -15.331 -1.141 11.306 1.00 0.00 C ATOM 608 OE1 GLU A 35 -16.461 -1.099 10.783 1.00 0.00 O ATOM 609 OE2 GLU A 35 -15.086 -0.528 12.363 1.00 0.00 O ATOM 0 H GLU A 35 -12.038 -0.378 7.882 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.948 -2.913 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.662 -0.709 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.078 -0.685 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.711 -2.914 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.567 -2.333 11.482 1.00 0.00 H new ATOM 616 N LYS A 36 -14.677 -2.892 7.180 1.00 0.00 N ATOM 617 CA LYS A 36 -15.564 -3.737 6.335 1.00 0.00 C ATOM 618 C LYS A 36 -14.842 -4.613 5.249 1.00 0.00 C ATOM 619 O LYS A 36 -15.169 -5.793 5.124 1.00 0.00 O ATOM 620 CB LYS A 36 -16.590 -2.726 5.761 1.00 0.00 C ATOM 621 CG LYS A 36 -17.813 -3.271 4.992 1.00 0.00 C ATOM 622 CD LYS A 36 -18.698 -2.086 4.536 1.00 0.00 C ATOM 623 CE LYS A 36 -19.708 -2.410 3.419 1.00 0.00 C ATOM 624 NZ LYS A 36 -20.032 -1.142 2.706 1.00 0.00 N ATOM 0 H LYS A 36 -14.926 -1.903 7.153 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.033 -4.526 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.962 -2.124 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.053 -2.052 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.486 -3.849 4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.387 -3.945 5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.245 -1.709 5.400 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.049 -1.280 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.288 -3.140 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.611 -2.852 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.931 -1.251 2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.118 -0.368 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.273 -0.920 2.030 1.00 0.00 H new ATOM 638 N ALA A 37 -13.847 -4.084 4.509 1.00 0.00 N ATOM 639 CA ALA A 37 -12.959 -4.873 3.613 1.00 0.00 C ATOM 640 C ALA A 37 -12.138 -6.040 4.243 1.00 0.00 C ATOM 641 O ALA A 37 -11.999 -7.083 3.600 1.00 0.00 O ATOM 642 CB ALA A 37 -12.039 -3.880 2.881 1.00 0.00 C ATOM 0 H ALA A 37 -13.630 -3.087 4.512 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.626 -5.414 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.372 -4.426 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.644 -3.184 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.448 -3.326 3.610 1.00 0.00 H new ATOM 648 N LEU A 38 -11.652 -5.916 5.493 1.00 0.00 N ATOM 649 CA LEU A 38 -11.166 -7.079 6.288 1.00 0.00 C ATOM 650 C LEU A 38 -12.239 -8.200 6.554 1.00 0.00 C ATOM 651 O LEU A 38 -11.924 -9.381 6.377 1.00 0.00 O ATOM 652 CB LEU A 38 -10.501 -6.496 7.566 1.00 0.00 C ATOM 653 CG LEU A 38 -9.724 -7.491 8.463 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.507 -8.118 7.759 1.00 0.00 C ATOM 655 CD2 LEU A 38 -9.255 -6.780 9.740 1.00 0.00 C ATOM 0 H LEU A 38 -11.582 -5.024 5.982 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.433 -7.640 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.815 -5.705 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.278 -6.029 8.171 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.413 -8.301 8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.006 -8.805 8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.839 -8.662 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.813 -7.331 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.709 -7.483 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.603 -5.948 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.120 -6.403 10.285 1.00 0.00 H new ATOM 667 N ALA A 39 -13.495 -7.847 6.901 1.00 0.00 N ATOM 668 CA ALA A 39 -14.647 -8.793 6.855 1.00 0.00 C ATOM 669 C ALA A 39 -15.069 -9.342 5.442 1.00 0.00 C ATOM 670 O ALA A 39 -15.390 -10.528 5.338 1.00 0.00 O ATOM 671 CB ALA A 39 -15.812 -8.106 7.594 1.00 0.00 C ATOM 0 H ALA A 39 -13.745 -6.910 7.219 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.330 -9.714 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.683 -8.761 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.519 -7.901 8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.059 -7.170 7.094 1.00 0.00 H new ATOM 677 N ARG A 40 -15.026 -8.533 4.358 1.00 0.00 N ATOM 678 CA ARG A 40 -15.086 -9.043 2.948 1.00 0.00 C ATOM 679 C ARG A 40 -13.964 -10.085 2.564 1.00 0.00 C ATOM 680 O ARG A 40 -14.256 -11.104 1.933 1.00 0.00 O ATOM 681 CB ARG A 40 -15.051 -7.868 1.918 1.00 0.00 C ATOM 682 CG ARG A 40 -16.127 -6.746 1.943 1.00 0.00 C ATOM 683 CD ARG A 40 -15.805 -5.667 0.882 1.00 0.00 C ATOM 684 NE ARG A 40 -16.624 -4.426 1.008 1.00 0.00 N ATOM 685 CZ ARG A 40 -17.612 -4.076 0.188 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.211 -4.898 -0.636 1.00 0.00 N ATOM 687 NH2 ARG A 40 -18.003 -2.842 0.212 1.00 0.00 N ATOM 0 H ARG A 40 -14.950 -7.518 4.423 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.037 -9.574 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.081 -7.382 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.079 -8.314 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.111 -7.173 1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.165 -6.292 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.750 -5.403 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -15.958 -6.091 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.410 -3.797 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.926 -5.877 -0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.963 -4.560 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -17.556 -2.178 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.758 -2.534 -0.401 1.00 0.00 H new ATOM 701 N ALA A 41 -12.694 -9.805 2.910 1.00 0.00 N ATOM 702 CA ALA A 41 -11.527 -10.655 2.568 1.00 0.00 C ATOM 703 C ALA A 41 -11.284 -11.926 3.444 1.00 0.00 C ATOM 704 O ALA A 41 -10.958 -12.979 2.883 1.00 0.00 O ATOM 705 CB ALA A 41 -10.299 -9.721 2.610 1.00 0.00 C ATOM 0 H ALA A 41 -12.441 -8.972 3.442 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.724 -11.091 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.401 -10.289 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.428 -8.917 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.199 -9.296 3.609 1.00 0.00 H new ATOM 711 N GLY A 42 -11.326 -11.823 4.789 1.00 0.00 N ATOM 712 CA GLY A 42 -10.874 -12.914 5.691 1.00 0.00 C ATOM 713 C GLY A 42 -9.339 -13.047 5.776 1.00 0.00 C ATOM 714 O GLY A 42 -8.751 -13.794 4.990 1.00 0.00 O ATOM 0 H GLY A 42 -11.668 -10.996 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.271 -12.736 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.294 -13.858 5.345 1.00 0.00 H new ATOM 718 N ALA A 43 -8.699 -12.318 6.706 1.00 0.00 N ATOM 719 CA ALA A 43 -7.225 -12.378 6.894 1.00 0.00 C ATOM 720 C ALA A 43 -6.815 -12.470 8.390 1.00 0.00 C ATOM 721 O ALA A 43 -7.147 -11.600 9.202 1.00 0.00 O ATOM 722 CB ALA A 43 -6.596 -11.138 6.239 1.00 0.00 C ATOM 0 H ALA A 43 -9.173 -11.678 7.343 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.858 -13.288 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.514 -11.167 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.834 -11.128 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.993 -10.238 6.708 1.00 0.00 H new ATOM 728 N ARG A 44 -6.034 -13.507 8.738 1.00 0.00 N ATOM 729 CA ARG A 44 -5.401 -13.617 10.083 1.00 0.00 C ATOM 730 C ARG A 44 -4.197 -12.647 10.340 1.00 0.00 C ATOM 731 O ARG A 44 -4.151 -12.042 11.408 1.00 0.00 O ATOM 732 CB ARG A 44 -5.108 -15.110 10.411 1.00 0.00 C ATOM 733 CG ARG A 44 -3.958 -15.790 9.627 1.00 0.00 C ATOM 734 CD ARG A 44 -3.765 -17.279 9.975 1.00 0.00 C ATOM 735 NE ARG A 44 -2.589 -17.831 9.238 1.00 0.00 N ATOM 736 CZ ARG A 44 -2.603 -18.308 7.993 1.00 0.00 C ATOM 737 NH1 ARG A 44 -3.689 -18.412 7.273 1.00 0.00 N ATOM 738 NH2 ARG A 44 -1.475 -18.678 7.464 1.00 0.00 N ATOM 0 H ARG A 44 -5.820 -14.285 8.114 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.130 -13.252 10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.883 -15.185 11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.020 -15.680 10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.155 -15.698 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.029 -15.256 9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.617 -17.393 11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.663 -17.840 9.715 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.696 -17.844 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.587 -18.120 7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.639 -18.785 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.610 -18.600 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.454 -19.047 6.513 1.00 0.00 H new ATOM 752 N ASN A 45 -3.244 -12.495 9.399 1.00 0.00 N ATOM 753 CA ASN A 45 -2.060 -11.605 9.571 1.00 0.00 C ATOM 754 C ASN A 45 -2.337 -10.214 8.915 1.00 0.00 C ATOM 755 O ASN A 45 -2.511 -10.130 7.693 1.00 0.00 O ATOM 756 CB ASN A 45 -0.818 -12.280 8.917 1.00 0.00 C ATOM 757 CG ASN A 45 -0.221 -13.518 9.602 1.00 0.00 C ATOM 758 OD1 ASN A 45 -0.779 -14.143 10.497 1.00 0.00 O ATOM 759 ND2 ASN A 45 0.948 -13.937 9.181 1.00 0.00 N ATOM 0 H ASN A 45 -3.265 -12.979 8.501 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.867 -11.449 10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.089 -12.561 7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.032 -11.529 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.373 -14.766 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.432 -13.434 8.437 1.00 0.00 H new ATOM 766 N VAL A 46 -2.374 -9.125 9.708 1.00 0.00 N ATOM 767 CA VAL A 46 -2.702 -7.764 9.172 1.00 0.00 C ATOM 768 C VAL A 46 -1.575 -6.769 9.618 1.00 0.00 C ATOM 769 O VAL A 46 -1.550 -6.316 10.766 1.00 0.00 O ATOM 770 CB VAL A 46 -4.149 -7.282 9.560 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.619 -6.085 8.699 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.272 -8.345 9.481 1.00 0.00 C ATOM 0 H VAL A 46 -2.185 -9.146 10.710 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.724 -7.804 8.083 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.015 -7.013 10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.623 -5.789 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.936 -5.247 8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.630 -6.375 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.221 -7.894 9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.346 -8.721 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.041 -9.169 10.156 1.00 0.00 H new ATOM 782 N GLN A 47 -0.654 -6.431 8.694 1.00 0.00 N ATOM 783 CA GLN A 47 0.435 -5.433 8.922 1.00 0.00 C ATOM 784 C GLN A 47 -0.067 -3.996 8.562 1.00 0.00 C ATOM 785 O GLN A 47 -0.138 -3.618 7.388 1.00 0.00 O ATOM 786 CB GLN A 47 1.677 -5.861 8.073 1.00 0.00 C ATOM 787 CG GLN A 47 2.800 -6.618 8.826 1.00 0.00 C ATOM 788 CD GLN A 47 3.760 -5.760 9.668 1.00 0.00 C ATOM 789 OE1 GLN A 47 3.760 -4.531 9.669 1.00 0.00 O ATOM 790 NE2 GLN A 47 4.644 -6.394 10.396 1.00 0.00 N ATOM 0 H GLN A 47 -0.636 -6.840 7.760 1.00 0.00 H new ATOM 0 HA GLN A 47 0.725 -5.407 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.330 -6.491 7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.109 -4.966 7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.335 -7.354 9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.389 -7.171 8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.659 -7.414 10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.318 -5.868 10.952 1.00 0.00 H new ATOM 799 N ILE A 48 -0.421 -3.190 9.575 1.00 0.00 N ATOM 800 CA ILE A 48 -0.979 -1.819 9.369 1.00 0.00 C ATOM 801 C ILE A 48 0.164 -0.805 9.669 1.00 0.00 C ATOM 802 O ILE A 48 0.509 -0.595 10.836 1.00 0.00 O ATOM 803 CB ILE A 48 -2.265 -1.589 10.246 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.413 -2.586 9.910 1.00 0.00 C ATOM 805 CG2 ILE A 48 -2.790 -0.133 10.120 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.528 -2.709 10.959 1.00 0.00 C ATOM 0 H ILE A 48 -0.335 -3.455 10.556 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.315 -1.680 8.341 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.954 -1.771 11.275 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.863 -2.285 8.964 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.977 -3.573 9.756 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.679 -0.012 10.739 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.019 0.562 10.452 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.042 0.074 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.271 -3.430 10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.103 -3.046 11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.003 -1.738 11.101 1.00 0.00 H new ATOM 818 N THR A 49 0.724 -0.159 8.629 1.00 0.00 N ATOM 819 CA THR A 49 1.696 0.959 8.814 1.00 0.00 C ATOM 820 C THR A 49 0.983 2.321 8.599 1.00 0.00 C ATOM 821 O THR A 49 0.471 2.577 7.506 1.00 0.00 O ATOM 822 CB THR A 49 2.906 0.823 7.840 1.00 0.00 C ATOM 823 OG1 THR A 49 3.414 -0.502 7.859 1.00 0.00 O ATOM 824 CG2 THR A 49 4.074 1.774 8.166 1.00 0.00 C ATOM 0 H THR A 49 0.528 -0.383 7.653 1.00 0.00 H new ATOM 0 HA THR A 49 2.080 0.912 9.833 1.00 0.00 H new ATOM 0 HB THR A 49 2.513 1.088 6.858 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.038 -0.624 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.879 1.622 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.729 2.806 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.442 1.567 9.171 1.00 0.00 H new ATOM 832 N ILE A 50 1.015 3.220 9.594 1.00 0.00 N ATOM 833 CA ILE A 50 0.643 4.650 9.373 1.00 0.00 C ATOM 834 C ILE A 50 1.930 5.509 9.544 1.00 0.00 C ATOM 835 O ILE A 50 2.346 5.749 10.681 1.00 0.00 O ATOM 836 CB ILE A 50 -0.525 5.191 10.271 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.669 4.214 10.642 1.00 0.00 C ATOM 838 CG2 ILE A 50 -1.106 6.487 9.654 1.00 0.00 C ATOM 839 CD1 ILE A 50 -2.487 3.598 9.497 1.00 0.00 C ATOM 0 H ILE A 50 1.289 2.999 10.551 1.00 0.00 H new ATOM 0 HA ILE A 50 0.240 4.724 8.363 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.040 5.372 11.230 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.237 3.398 11.221 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.359 4.742 11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.916 6.857 10.282 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.323 7.242 9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.489 6.275 8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.250 2.937 9.909 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.966 4.392 8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.827 3.027 8.844 1.00 0.00 H new ATOM 851 N SER A 51 2.541 6.000 8.448 1.00 0.00 N ATOM 852 CA SER A 51 3.665 6.981 8.560 1.00 0.00 C ATOM 853 C SER A 51 3.110 8.436 8.677 1.00 0.00 C ATOM 854 O SER A 51 2.633 9.017 7.698 1.00 0.00 O ATOM 855 CB SER A 51 4.683 6.793 7.415 1.00 0.00 C ATOM 856 OG SER A 51 5.898 7.470 7.732 1.00 0.00 O ATOM 0 H SER A 51 2.291 5.748 7.492 1.00 0.00 H new ATOM 0 HA SER A 51 4.219 6.790 9.479 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.877 5.732 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.272 7.182 6.483 1.00 0.00 H new ATOM 0 HG SER A 51 6.541 7.346 7.003 1.00 0.00 H new ATOM 862 N ALA A 52 3.111 8.982 9.904 1.00 0.00 N ATOM 863 CA ALA A 52 2.448 10.272 10.224 1.00 0.00 C ATOM 864 C ALA A 52 3.363 11.530 10.063 1.00 0.00 C ATOM 865 O ALA A 52 4.591 11.439 9.932 1.00 0.00 O ATOM 866 CB ALA A 52 1.915 10.080 11.665 1.00 0.00 C ATOM 0 H ALA A 52 3.569 8.548 10.706 1.00 0.00 H new ATOM 0 HA ALA A 52 1.651 10.490 9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.406 10.988 11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.215 9.245 11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.748 9.872 12.336 1.00 0.00 H new ATOM 872 N GLU A 53 2.749 12.725 10.121 1.00 0.00 N ATOM 873 CA GLU A 53 3.493 14.021 10.177 1.00 0.00 C ATOM 874 C GLU A 53 4.279 14.235 11.516 1.00 0.00 C ATOM 875 O GLU A 53 5.445 14.636 11.488 1.00 0.00 O ATOM 876 CB GLU A 53 2.517 15.210 9.927 1.00 0.00 C ATOM 877 CG GLU A 53 1.841 15.268 8.536 1.00 0.00 C ATOM 878 CD GLU A 53 0.661 16.224 8.450 1.00 0.00 C ATOM 879 OE1 GLU A 53 -0.458 15.828 8.835 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.808 17.333 7.893 1.00 0.00 O ATOM 0 H GLU A 53 1.735 12.833 10.131 1.00 0.00 H new ATOM 0 HA GLU A 53 4.242 13.981 9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.735 15.174 10.685 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.066 16.139 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.585 15.561 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.502 14.267 8.268 1.00 0.00 H new ATOM 887 N ASN A 54 3.628 13.997 12.671 1.00 0.00 N ATOM 888 CA ASN A 54 4.186 14.299 14.015 1.00 0.00 C ATOM 889 C ASN A 54 4.057 13.059 14.961 1.00 0.00 C ATOM 890 O ASN A 54 3.120 12.255 14.873 1.00 0.00 O ATOM 891 CB ASN A 54 3.435 15.529 14.613 1.00 0.00 C ATOM 892 CG ASN A 54 3.596 16.857 13.859 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.615 17.532 13.933 1.00 0.00 O ATOM 894 ND2 ASN A 54 2.605 17.271 13.102 1.00 0.00 N ATOM 0 H ASN A 54 2.694 13.588 12.704 1.00 0.00 H new ATOM 0 HA ASN A 54 5.246 14.533 13.921 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.373 15.290 14.662 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.777 15.674 15.638 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.690 18.146 12.584 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.751 16.718 13.032 1.00 0.00 H new ATOM 901 N ASP A 55 4.958 12.974 15.952 1.00 0.00 N ATOM 902 CA ASP A 55 4.771 12.129 17.172 1.00 0.00 C ATOM 903 C ASP A 55 3.453 12.352 18.012 1.00 0.00 C ATOM 904 O ASP A 55 2.870 11.380 18.503 1.00 0.00 O ATOM 905 CB ASP A 55 6.081 12.234 18.004 1.00 0.00 C ATOM 906 CG ASP A 55 6.447 13.609 18.578 1.00 0.00 C ATOM 907 OD1 ASP A 55 6.627 14.560 17.785 1.00 0.00 O ATOM 908 OD2 ASP A 55 6.546 13.740 19.815 1.00 0.00 O ATOM 0 H ASP A 55 5.841 13.484 15.943 1.00 0.00 H new ATOM 0 HA ASP A 55 4.596 11.106 16.840 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.010 11.531 18.834 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.907 11.901 17.375 1.00 0.00 H new ATOM 913 N GLU A 56 2.932 13.595 18.098 1.00 0.00 N ATOM 914 CA GLU A 56 1.550 13.890 18.590 1.00 0.00 C ATOM 915 C GLU A 56 0.385 13.168 17.809 1.00 0.00 C ATOM 916 O GLU A 56 -0.514 12.611 18.447 1.00 0.00 O ATOM 917 CB GLU A 56 1.328 15.431 18.628 1.00 0.00 C ATOM 918 CG GLU A 56 2.254 16.269 19.555 1.00 0.00 C ATOM 919 CD GLU A 56 1.906 17.750 19.588 1.00 0.00 C ATOM 920 OE1 GLU A 56 2.337 18.489 18.678 1.00 0.00 O ATOM 921 OE2 GLU A 56 1.208 18.180 20.529 1.00 0.00 O ATOM 0 H GLU A 56 3.452 14.431 17.830 1.00 0.00 H new ATOM 0 HA GLU A 56 1.497 13.470 19.594 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.436 15.811 17.612 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.296 15.615 18.929 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.198 15.869 20.567 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.286 16.154 19.223 1.00 0.00 H new ATOM 928 N GLN A 57 0.412 13.122 16.455 1.00 0.00 N ATOM 929 CA GLN A 57 -0.495 12.238 15.651 1.00 0.00 C ATOM 930 C GLN A 57 -0.377 10.698 15.922 1.00 0.00 C ATOM 931 O GLN A 57 -1.404 10.013 15.952 1.00 0.00 O ATOM 932 CB GLN A 57 -0.288 12.490 14.127 1.00 0.00 C ATOM 933 CG GLN A 57 -0.823 13.824 13.553 1.00 0.00 C ATOM 934 CD GLN A 57 -0.598 14.008 12.041 1.00 0.00 C ATOM 935 OE1 GLN A 57 0.101 13.258 11.366 1.00 0.00 O ATOM 936 NE2 GLN A 57 -1.171 15.044 11.477 1.00 0.00 N ATOM 0 H GLN A 57 1.048 13.683 15.888 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.494 12.522 15.982 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.780 12.436 13.917 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.761 11.673 13.582 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.891 13.890 13.759 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.345 14.649 14.081 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.753 15.670 12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.035 15.223 10.482 1.00 0.00 H new ATOM 945 N ALA A 58 0.845 10.155 16.106 1.00 0.00 N ATOM 946 CA ALA A 58 1.060 8.720 16.430 1.00 0.00 C ATOM 947 C ALA A 58 0.300 8.130 17.674 1.00 0.00 C ATOM 948 O ALA A 58 -0.100 6.964 17.624 1.00 0.00 O ATOM 949 CB ALA A 58 2.585 8.523 16.544 1.00 0.00 C ATOM 0 H ALA A 58 1.709 10.692 16.036 1.00 0.00 H new ATOM 0 HA ALA A 58 0.609 8.143 15.622 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.801 7.481 16.782 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.057 8.784 15.597 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.977 9.164 17.334 1.00 0.00 H new ATOM 955 N LYS A 59 0.058 8.912 18.751 1.00 0.00 N ATOM 956 CA LYS A 59 -0.783 8.476 19.905 1.00 0.00 C ATOM 957 C LYS A 59 -2.268 8.111 19.548 1.00 0.00 C ATOM 958 O LYS A 59 -2.669 6.968 19.784 1.00 0.00 O ATOM 959 CB LYS A 59 -0.665 9.535 21.039 1.00 0.00 C ATOM 960 CG LYS A 59 -1.343 9.095 22.362 1.00 0.00 C ATOM 961 CD LYS A 59 -1.446 10.200 23.428 1.00 0.00 C ATOM 962 CE LYS A 59 -2.342 9.736 24.595 1.00 0.00 C ATOM 963 NZ LYS A 59 -2.453 10.819 25.605 1.00 0.00 N ATOM 0 H LYS A 59 0.433 9.855 18.851 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.388 7.522 20.255 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.389 9.738 21.229 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.114 10.469 20.702 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.345 8.731 22.137 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.785 8.257 22.779 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.452 10.449 23.800 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.857 11.107 22.983 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.331 9.471 24.223 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.923 8.840 25.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.058 10.502 26.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.507 11.052 25.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.872 11.663 25.165 1.00 0.00 H new ATOM 977 N GLU A 60 -3.079 9.040 18.997 1.00 0.00 N ATOM 978 CA GLU A 60 -4.472 8.709 18.553 1.00 0.00 C ATOM 979 C GLU A 60 -4.577 7.654 17.400 1.00 0.00 C ATOM 980 O GLU A 60 -5.472 6.808 17.451 1.00 0.00 O ATOM 981 CB GLU A 60 -5.302 9.989 18.260 1.00 0.00 C ATOM 982 CG GLU A 60 -5.763 10.758 19.526 1.00 0.00 C ATOM 983 CD GLU A 60 -6.801 11.838 19.270 1.00 0.00 C ATOM 984 OE1 GLU A 60 -7.997 11.502 19.132 1.00 0.00 O ATOM 985 OE2 GLU A 60 -6.428 13.028 19.233 1.00 0.00 O ATOM 0 H GLU A 60 -2.810 10.012 18.846 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.919 8.203 19.409 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.707 10.659 17.639 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.181 9.712 17.678 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.171 10.043 20.240 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.891 11.215 19.995 1.00 0.00 H new ATOM 992 N LEU A 61 -3.651 7.629 16.421 1.00 0.00 N ATOM 993 CA LEU A 61 -3.494 6.483 15.474 1.00 0.00 C ATOM 994 C LEU A 61 -3.230 5.087 16.144 1.00 0.00 C ATOM 995 O LEU A 61 -3.928 4.123 15.819 1.00 0.00 O ATOM 996 CB LEU A 61 -2.395 6.844 14.436 1.00 0.00 C ATOM 997 CG LEU A 61 -2.695 8.021 13.467 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.402 8.455 12.761 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.786 7.675 12.435 1.00 0.00 C ATOM 0 H LEU A 61 -2.992 8.390 16.257 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.458 6.345 14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.480 7.079 14.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.191 5.956 13.837 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.081 8.847 14.064 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.617 9.281 12.083 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.672 8.777 13.504 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.997 7.616 12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.956 8.532 11.784 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.464 6.823 11.837 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.711 7.425 12.954 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.286 4.982 17.105 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.139 3.788 17.993 1.00 0.00 C ATOM 1013 C LEU A 62 -3.439 3.325 18.737 1.00 0.00 C ATOM 1014 O LEU A 62 -3.850 2.169 18.588 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.927 4.074 18.935 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.578 3.012 20.012 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.221 1.649 19.397 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.574 3.513 20.898 1.00 0.00 C ATOM 0 H LEU A 62 -1.602 5.715 17.293 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.946 2.911 17.375 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.045 4.220 18.311 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.116 5.018 19.445 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.470 2.867 20.622 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.015 0.942 20.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.068 1.277 18.820 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.643 1.760 18.742 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.809 2.759 21.649 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.454 3.698 20.281 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.277 4.438 21.392 1.00 0.00 H new ATOM 1030 N GLU A 63 -4.078 4.225 19.505 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.347 3.932 20.233 1.00 0.00 C ATOM 1032 C GLU A 63 -6.587 3.622 19.316 1.00 0.00 C ATOM 1033 O GLU A 63 -7.309 2.655 19.580 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.595 5.087 21.248 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.568 5.179 22.415 1.00 0.00 C ATOM 1036 CD GLU A 63 -4.718 6.368 23.359 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -5.802 6.548 23.950 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -3.727 7.108 23.546 1.00 0.00 O ATOM 0 H GLU A 63 -3.739 5.177 19.645 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.224 2.989 20.766 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.590 6.033 20.706 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.592 4.968 21.672 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.637 4.264 23.004 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.566 5.207 21.987 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.810 4.380 18.221 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.854 4.080 17.197 1.00 0.00 C ATOM 1047 C LEU A 64 -7.728 2.702 16.461 1.00 0.00 C ATOM 1048 O LEU A 64 -8.727 1.979 16.389 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.911 5.302 16.237 1.00 0.00 C ATOM 1050 CG LEU A 64 -9.002 5.333 15.134 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -10.438 5.316 15.691 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.815 6.585 14.260 1.00 0.00 C ATOM 0 H LEU A 64 -6.273 5.222 18.015 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.806 3.942 17.710 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.033 6.197 16.848 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.941 5.381 15.745 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.877 4.423 14.548 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.149 5.339 14.865 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.591 4.409 16.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.592 6.188 16.327 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.582 6.606 13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.901 7.478 14.880 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.830 6.560 13.794 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.544 2.312 15.940 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.337 0.970 15.297 1.00 0.00 C ATOM 1066 C ILE A 65 -6.513 -0.223 16.305 1.00 0.00 C ATOM 1067 O ILE A 65 -7.248 -1.163 15.988 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.966 0.872 14.540 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.739 1.968 13.462 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.755 -0.511 13.854 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.253 2.195 13.146 1.00 0.00 C ATOM 0 H ILE A 65 -5.710 2.899 15.946 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.128 0.879 14.553 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.240 1.019 15.339 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.261 1.685 12.548 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.180 2.904 13.804 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.791 -0.522 13.346 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.777 -1.298 14.608 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.550 -0.682 13.128 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.157 2.971 12.387 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.732 2.506 14.051 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.814 1.269 12.775 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.852 -0.216 17.484 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.076 -1.253 18.528 1.00 0.00 C ATOM 1085 C ALA A 66 -7.558 -1.407 19.026 1.00 0.00 C ATOM 1086 O ALA A 66 -8.059 -2.531 19.053 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.079 -0.964 19.665 1.00 0.00 C ATOM 0 H ALA A 66 -5.162 0.490 17.740 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.895 -2.233 18.087 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.206 -1.702 20.457 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.061 -1.018 19.279 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.263 0.033 20.065 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.283 -0.302 19.312 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.778 -0.288 19.407 1.00 0.00 C ATOM 1095 C ARG A 67 -10.553 -0.943 18.204 1.00 0.00 C ATOM 1096 O ARG A 67 -11.391 -1.823 18.425 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.158 1.205 19.648 1.00 0.00 C ATOM 1098 CG ARG A 67 -11.662 1.546 19.802 1.00 0.00 C ATOM 1099 CD ARG A 67 -11.891 3.070 19.806 1.00 0.00 C ATOM 1100 NE ARG A 67 -13.348 3.378 19.814 1.00 0.00 N ATOM 1101 CZ ARG A 67 -13.876 4.584 19.597 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -13.165 5.661 19.362 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -15.172 4.704 19.619 1.00 0.00 N ATOM 0 H ARG A 67 -7.858 0.609 19.485 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.096 -0.934 20.225 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.643 1.542 20.548 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.764 1.790 18.817 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.226 1.093 18.986 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.042 1.116 20.729 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.415 3.513 20.681 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.424 3.516 18.928 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.991 2.608 19.999 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.147 5.605 19.337 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.630 6.555 19.204 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -15.757 3.888 19.799 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.603 5.614 19.456 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.275 -0.528 16.951 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.849 -1.139 15.717 1.00 0.00 C ATOM 1119 C LEU A 68 -10.648 -2.689 15.564 1.00 0.00 C ATOM 1120 O LEU A 68 -11.621 -3.425 15.373 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.246 -0.325 14.531 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.891 -0.552 13.139 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -12.172 0.280 12.994 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.923 -0.164 12.011 1.00 0.00 C ATOM 0 H LEU A 68 -9.641 0.247 16.757 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.936 -1.072 15.754 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.319 0.735 14.772 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.185 -0.563 14.458 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.129 -1.613 13.061 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.609 0.107 12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.885 -0.013 13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.933 1.338 13.103 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.402 -0.333 11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.658 0.889 12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.021 -0.772 12.080 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.401 -3.178 15.669 1.00 0.00 N ATOM 1137 CA LEU A 69 -9.075 -4.629 15.553 1.00 0.00 C ATOM 1138 C LEU A 69 -9.457 -5.508 16.796 1.00 0.00 C ATOM 1139 O LEU A 69 -9.889 -6.651 16.608 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.585 -4.755 15.117 1.00 0.00 C ATOM 1141 CG LEU A 69 -7.229 -4.539 13.616 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -7.873 -5.582 12.692 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -7.540 -3.151 13.056 1.00 0.00 C ATOM 0 H LEU A 69 -8.585 -2.589 15.836 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.718 -5.060 14.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.007 -4.039 15.701 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.240 -5.749 15.400 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.145 -4.653 13.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.588 -5.379 11.660 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.531 -6.578 12.974 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.958 -5.531 12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.253 -3.110 12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.608 -2.952 13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.981 -2.400 13.614 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.393 -4.991 18.041 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.093 -5.593 19.216 1.00 0.00 C ATOM 1157 C GLN A 70 -11.654 -5.741 19.077 1.00 0.00 C ATOM 1158 O GLN A 70 -12.182 -6.787 19.460 1.00 0.00 O ATOM 1159 CB GLN A 70 -9.656 -4.760 20.451 1.00 0.00 C ATOM 1160 CG GLN A 70 -10.062 -5.330 21.830 1.00 0.00 C ATOM 1161 CD GLN A 70 -9.671 -4.414 22.996 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -10.372 -3.469 23.339 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -8.550 -4.648 23.637 1.00 0.00 N ATOM 0 H GLN A 70 -8.861 -4.151 18.269 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.795 -6.637 19.314 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.571 -4.655 20.428 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.075 -3.758 20.356 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.140 -5.491 21.847 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.592 -6.304 21.967 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.958 -5.432 23.361 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.270 -4.046 24.412 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.376 -4.751 18.502 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.803 -4.916 18.083 1.00 0.00 C ATOM 1174 C LYS A 71 -14.081 -6.071 17.052 1.00 0.00 C ATOM 1175 O LYS A 71 -15.034 -6.828 17.250 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.324 -3.540 17.572 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.861 -3.458 17.350 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.356 -2.221 16.567 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.979 -2.232 15.069 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.604 -1.086 14.363 1.00 0.00 N ATOM 0 H LYS A 71 -11.998 -3.822 18.314 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.357 -5.241 18.964 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.034 -2.771 18.288 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.824 -3.306 16.632 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.182 -4.354 16.819 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.352 -3.471 18.323 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.440 -2.157 16.658 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.944 -1.323 17.028 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.895 -2.185 14.961 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.304 -3.167 14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.917 -0.668 13.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.436 -1.416 13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.898 -0.369 15.057 1.00 0.00 H new ATOM 1194 N LEU A 72 -13.287 -6.200 15.969 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.404 -7.342 15.006 1.00 0.00 C ATOM 1196 C LEU A 72 -13.015 -8.742 15.595 1.00 0.00 C ATOM 1197 O LEU A 72 -13.776 -9.699 15.431 1.00 0.00 O ATOM 1198 CB LEU A 72 -12.621 -6.998 13.696 1.00 0.00 C ATOM 1199 CG LEU A 72 -13.359 -6.222 12.568 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -14.419 -7.081 11.855 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.985 -4.896 13.032 1.00 0.00 C ATOM 0 H LEU A 72 -12.554 -5.533 15.729 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.463 -7.456 14.774 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.744 -6.416 13.978 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.259 -7.934 13.271 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.573 -5.975 11.854 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.903 -6.490 11.077 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.940 -7.950 11.405 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.165 -7.411 12.577 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.481 -4.414 12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.714 -5.093 13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.204 -4.240 13.417 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.860 -8.858 16.269 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.491 -10.066 17.053 1.00 0.00 C ATOM 1215 C GLY A 73 -10.017 -10.501 16.932 1.00 0.00 C ATOM 1216 O GLY A 73 -9.736 -11.644 16.564 1.00 0.00 O ATOM 0 H GLY A 73 -11.152 -8.124 16.291 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.713 -9.880 18.104 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.125 -10.894 16.735 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.082 -9.599 17.266 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.628 -9.821 17.050 1.00 0.00 C ATOM 1222 C TYR A 74 -6.884 -9.571 18.396 1.00 0.00 C ATOM 1223 O TYR A 74 -6.626 -8.425 18.776 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.122 -8.895 15.909 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.549 -9.254 14.471 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -8.820 -8.903 13.997 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -6.663 -9.913 13.616 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -9.209 -9.258 12.707 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -7.048 -10.253 12.321 1.00 0.00 C ATOM 1230 CZ TYR A 74 -8.330 -9.936 11.874 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.735 -10.281 10.611 1.00 0.00 O ATOM 0 H TYR A 74 -9.301 -8.698 17.691 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.430 -10.847 16.739 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.463 -7.881 16.120 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.033 -8.879 15.944 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.500 -8.356 14.633 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.670 -10.161 13.962 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.198 -9.005 12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.356 -10.760 11.666 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.965 -10.603 10.097 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.545 -10.652 19.121 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.791 -10.559 20.408 1.00 0.00 C ATOM 1243 C LYS A 75 -4.265 -10.213 20.319 1.00 0.00 C ATOM 1244 O LYS A 75 -3.750 -9.531 21.211 1.00 0.00 O ATOM 1245 CB LYS A 75 -6.066 -11.835 21.259 1.00 0.00 C ATOM 1246 CG LYS A 75 -5.405 -13.155 20.773 1.00 0.00 C ATOM 1247 CD LYS A 75 -5.720 -14.409 21.613 1.00 0.00 C ATOM 1248 CE LYS A 75 -7.141 -14.964 21.396 1.00 0.00 C ATOM 1249 NZ LYS A 75 -7.300 -16.228 22.163 1.00 0.00 N ATOM 0 H LYS A 75 -6.777 -11.607 18.846 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.184 -9.673 20.907 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.732 -11.642 22.278 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.144 -11.990 21.301 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.719 -13.340 19.746 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.324 -13.014 20.756 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.996 -15.187 21.372 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.591 -14.169 22.668 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.882 -14.233 21.720 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.315 -15.145 20.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.259 -16.604 22.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.601 -16.924 21.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.151 -16.041 23.175 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.537 -10.696 19.296 1.00 0.00 N ATOM 1264 CA ASP A 76 -2.049 -10.671 19.277 1.00 0.00 C ATOM 1265 C ASP A 76 -1.546 -9.353 18.604 1.00 0.00 C ATOM 1266 O ASP A 76 -1.219 -9.314 17.413 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.549 -11.948 18.555 1.00 0.00 C ATOM 1268 CG ASP A 76 -1.961 -13.302 19.133 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -1.393 -13.717 20.163 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -2.865 -13.948 18.557 1.00 0.00 O ATOM 0 H ASP A 76 -3.952 -11.113 18.462 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.642 -10.674 20.288 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.895 -11.906 17.522 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.460 -11.913 18.528 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.541 -8.257 19.381 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.358 -6.872 18.848 1.00 0.00 C ATOM 1277 C ILE A 77 0.137 -6.464 19.084 1.00 0.00 C ATOM 1278 O ILE A 77 0.519 -6.079 20.195 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.421 -5.907 19.503 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.913 -6.312 19.255 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.239 -4.433 19.053 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.932 -5.711 20.242 1.00 0.00 C ATOM 0 H ILE A 77 -1.662 -8.292 20.393 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.541 -6.809 17.775 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.221 -6.005 20.570 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.190 -6.012 18.245 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.989 -7.399 19.297 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.995 -3.810 19.532 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.247 -4.085 19.340 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.347 -4.367 17.970 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.934 -6.053 19.983 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.690 -6.031 21.255 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.894 -4.623 20.187 1.00 0.00 H new ATOM 1294 N ASN A 78 0.983 -6.554 18.042 1.00 0.00 N ATOM 1295 CA ASN A 78 2.455 -6.347 18.168 1.00 0.00 C ATOM 1296 C ASN A 78 2.897 -5.065 17.397 1.00 0.00 C ATOM 1297 O ASN A 78 2.898 -5.040 16.161 1.00 0.00 O ATOM 1298 CB ASN A 78 3.210 -7.605 17.647 1.00 0.00 C ATOM 1299 CG ASN A 78 3.018 -8.921 18.415 1.00 0.00 C ATOM 1300 OD1 ASN A 78 2.553 -9.920 17.876 1.00 0.00 O ATOM 1301 ND2 ASN A 78 3.407 -8.991 19.666 1.00 0.00 N ATOM 0 H ASN A 78 0.679 -6.770 17.093 1.00 0.00 H new ATOM 0 HA ASN A 78 2.706 -6.203 19.219 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.909 -7.773 16.613 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.276 -7.376 17.635 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.321 -9.869 20.178 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.795 -8.168 20.126 1.00 0.00 H new ATOM 1308 N VAL A 79 3.288 -4.003 18.128 1.00 0.00 N ATOM 1309 CA VAL A 79 3.634 -2.686 17.527 1.00 0.00 C ATOM 1310 C VAL A 79 5.174 -2.391 17.464 1.00 0.00 C ATOM 1311 O VAL A 79 5.904 -2.535 18.449 1.00 0.00 O ATOM 1312 CB VAL A 79 2.797 -1.562 18.228 1.00 0.00 C ATOM 1313 CG1 VAL A 79 3.138 -1.273 19.710 1.00 0.00 C ATOM 1314 CG2 VAL A 79 2.860 -0.236 17.444 1.00 0.00 C ATOM 0 H VAL A 79 3.375 -4.026 19.144 1.00 0.00 H new ATOM 0 HA VAL A 79 3.355 -2.713 16.474 1.00 0.00 H new ATOM 0 HB VAL A 79 1.790 -1.979 18.226 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.493 -0.477 20.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.981 -2.175 20.302 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.180 -0.963 19.790 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.268 0.520 17.960 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.895 0.098 17.376 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.461 -0.387 16.441 1.00 0.00 H new ATOM 1324 N ARG A 80 5.629 -1.857 16.316 1.00 0.00 N ATOM 1325 CA ARG A 80 6.827 -0.977 16.260 1.00 0.00 C ATOM 1326 C ARG A 80 6.371 0.506 16.085 1.00 0.00 C ATOM 1327 O ARG A 80 5.832 0.890 15.041 1.00 0.00 O ATOM 1328 CB ARG A 80 7.772 -1.409 15.105 1.00 0.00 C ATOM 1329 CG ARG A 80 8.672 -2.627 15.432 1.00 0.00 C ATOM 1330 CD ARG A 80 9.631 -3.065 14.306 1.00 0.00 C ATOM 1331 NE ARG A 80 10.659 -2.025 13.992 1.00 0.00 N ATOM 1332 CZ ARG A 80 11.676 -2.181 13.144 1.00 0.00 C ATOM 1333 NH1 ARG A 80 11.940 -3.311 12.535 1.00 0.00 N ATOM 1334 NH2 ARG A 80 12.448 -1.162 12.905 1.00 0.00 N ATOM 0 H ARG A 80 5.189 -2.016 15.409 1.00 0.00 H new ATOM 0 HA ARG A 80 7.385 -1.068 17.192 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.169 -1.644 14.228 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.408 -0.565 14.838 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.262 -2.393 16.318 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.032 -3.471 15.689 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.131 -3.989 14.598 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.055 -3.284 13.407 1.00 0.00 H new ATOM 0 HE ARG A 80 10.575 -1.125 14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.353 -4.129 12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.732 -3.373 11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.269 -0.268 13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.232 -1.257 12.260 1.00 0.00 H new ATOM 1348 N VAL A 81 6.648 1.357 17.090 1.00 0.00 N ATOM 1349 CA VAL A 81 6.580 2.845 16.927 1.00 0.00 C ATOM 1350 C VAL A 81 7.964 3.295 16.345 1.00 0.00 C ATOM 1351 O VAL A 81 8.945 3.435 17.083 1.00 0.00 O ATOM 1352 CB VAL A 81 6.170 3.566 18.259 1.00 0.00 C ATOM 1353 CG1 VAL A 81 6.097 5.107 18.115 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.798 3.108 18.814 1.00 0.00 C ATOM 0 H VAL A 81 6.921 1.054 18.025 1.00 0.00 H new ATOM 0 HA VAL A 81 5.791 3.136 16.234 1.00 0.00 H new ATOM 0 HB VAL A 81 6.964 3.283 18.949 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.809 5.548 19.069 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.073 5.491 17.817 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.358 5.367 17.357 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.580 3.648 19.735 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.020 3.316 18.079 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.827 2.038 19.019 1.00 0.00 H new ATOM 1364 N ASN A 82 8.054 3.434 15.008 1.00 0.00 N ATOM 1365 CA ASN A 82 9.362 3.560 14.298 1.00 0.00 C ATOM 1366 C ASN A 82 9.498 4.975 13.643 1.00 0.00 C ATOM 1367 O ASN A 82 9.144 5.186 12.480 1.00 0.00 O ATOM 1368 CB ASN A 82 9.475 2.337 13.337 1.00 0.00 C ATOM 1369 CG ASN A 82 10.876 2.059 12.797 1.00 0.00 C ATOM 1370 OD1 ASN A 82 11.735 1.524 13.493 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.142 2.347 11.546 1.00 0.00 N ATOM 0 H ASN A 82 7.243 3.463 14.390 1.00 0.00 H new ATOM 0 HA ASN A 82 10.220 3.517 14.968 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.123 1.449 13.862 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.803 2.495 12.493 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.058 2.127 11.156 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.433 2.791 10.963 1.00 0.00 H new ATOM 1378 N GLY A 83 9.989 5.961 14.421 1.00 0.00 N ATOM 1379 CA GLY A 83 10.014 7.391 13.995 1.00 0.00 C ATOM 1380 C GLY A 83 8.638 8.076 14.085 1.00 0.00 C ATOM 1381 O GLY A 83 8.166 8.381 15.182 1.00 0.00 O ATOM 0 H GLY A 83 10.376 5.801 15.351 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.725 7.936 14.616 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.376 7.451 12.969 1.00 0.00 H new ATOM 1385 N THR A 84 7.991 8.260 12.927 1.00 0.00 N ATOM 1386 CA THR A 84 6.519 8.554 12.864 1.00 0.00 C ATOM 1387 C THR A 84 5.635 7.373 12.308 1.00 0.00 C ATOM 1388 O THR A 84 4.423 7.553 12.154 1.00 0.00 O ATOM 1389 CB THR A 84 6.212 9.906 12.147 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.409 9.822 10.739 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.990 11.131 12.652 1.00 0.00 C ATOM 0 H THR A 84 8.445 8.215 12.015 1.00 0.00 H new ATOM 0 HA THR A 84 6.218 8.660 13.906 1.00 0.00 H new ATOM 0 HB THR A 84 5.163 10.065 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.706 10.327 10.280 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.694 12.011 12.080 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.769 11.293 13.707 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.059 10.960 12.527 1.00 0.00 H new ATOM 1399 N GLU A 85 6.185 6.157 12.072 1.00 0.00 N ATOM 1400 CA GLU A 85 5.385 4.928 11.832 1.00 0.00 C ATOM 1401 C GLU A 85 4.605 4.483 13.107 1.00 0.00 C ATOM 1402 O GLU A 85 5.191 4.205 14.158 1.00 0.00 O ATOM 1403 CB GLU A 85 6.289 3.730 11.434 1.00 0.00 C ATOM 1404 CG GLU A 85 6.944 3.705 10.036 1.00 0.00 C ATOM 1405 CD GLU A 85 7.704 2.406 9.794 1.00 0.00 C ATOM 1406 OE1 GLU A 85 7.057 1.347 9.620 1.00 0.00 O ATOM 1407 OE2 GLU A 85 8.951 2.423 9.805 1.00 0.00 O ATOM 0 H GLU A 85 7.192 5.999 12.042 1.00 0.00 H new ATOM 0 HA GLU A 85 4.695 5.184 11.028 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.089 3.665 12.171 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.692 2.823 11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.176 3.825 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.626 4.550 9.938 1.00 0.00 H new ATOM 1414 N VAL A 86 3.296 4.271 12.948 1.00 0.00 N ATOM 1415 CA VAL A 86 2.540 3.307 13.796 1.00 0.00 C ATOM 1416 C VAL A 86 2.461 1.978 12.974 1.00 0.00 C ATOM 1417 O VAL A 86 1.528 1.778 12.189 1.00 0.00 O ATOM 1418 CB VAL A 86 1.172 3.938 14.229 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.213 2.949 14.924 1.00 0.00 C ATOM 1420 CG2 VAL A 86 1.354 5.134 15.192 1.00 0.00 C ATOM 0 H VAL A 86 2.727 4.745 12.246 1.00 0.00 H new ATOM 0 HA VAL A 86 3.022 3.075 14.745 1.00 0.00 H new ATOM 0 HB VAL A 86 0.734 4.258 13.284 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.710 3.464 15.192 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.014 2.126 14.247 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.685 2.558 15.825 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.377 5.536 15.462 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.871 4.801 16.092 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.942 5.910 14.702 1.00 0.00 H new ATOM 1430 N LYS A 87 3.463 1.091 13.138 1.00 0.00 N ATOM 1431 CA LYS A 87 3.483 -0.249 12.491 1.00 0.00 C ATOM 1432 C LYS A 87 2.885 -1.304 13.469 1.00 0.00 C ATOM 1433 O LYS A 87 3.614 -1.887 14.276 1.00 0.00 O ATOM 1434 CB LYS A 87 4.933 -0.524 11.986 1.00 0.00 C ATOM 1435 CG LYS A 87 5.233 -1.991 11.577 1.00 0.00 C ATOM 1436 CD LYS A 87 6.366 -2.183 10.543 1.00 0.00 C ATOM 1437 CE LYS A 87 5.881 -2.057 9.081 1.00 0.00 C ATOM 1438 NZ LYS A 87 6.421 -0.851 8.391 1.00 0.00 N ATOM 0 H LYS A 87 4.281 1.276 13.719 1.00 0.00 H new ATOM 0 HA LYS A 87 2.847 -0.305 11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.129 0.121 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.633 -0.234 12.770 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.487 -2.554 12.475 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.320 -2.430 11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.146 -1.443 10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.818 -3.165 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.177 -2.948 8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.792 -2.020 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.996 -0.773 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.190 -0.002 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.454 -0.936 8.301 1.00 0.00 H new ATOM 1452 N ILE A 88 1.566 -1.555 13.381 1.00 0.00 N ATOM 1453 CA ILE A 88 0.880 -2.584 14.219 1.00 0.00 C ATOM 1454 C ILE A 88 0.663 -3.856 13.338 1.00 0.00 C ATOM 1455 O ILE A 88 -0.125 -3.836 12.384 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.453 -2.031 14.845 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.275 -0.735 15.694 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.155 -3.087 15.742 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.572 0.040 15.961 1.00 0.00 C ATOM 0 H ILE A 88 0.943 -1.064 12.740 1.00 0.00 H new ATOM 0 HA ILE A 88 1.500 -2.850 15.075 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.065 -1.790 13.976 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.176 -1.002 16.650 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.427 -0.076 15.183 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.071 -2.663 16.154 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.398 -3.967 15.146 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.489 -3.373 16.556 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.351 0.925 16.558 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.016 0.343 15.013 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.272 -0.597 16.502 1.00 0.00 H new ATOM 1471 N GLU A 89 1.307 -4.979 13.704 1.00 0.00 N ATOM 1472 CA GLU A 89 0.905 -6.321 13.210 1.00 0.00 C ATOM 1473 C GLU A 89 -0.120 -6.957 14.197 1.00 0.00 C ATOM 1474 O GLU A 89 0.213 -7.252 15.351 1.00 0.00 O ATOM 1475 CB GLU A 89 2.152 -7.216 13.005 1.00 0.00 C ATOM 1476 CG GLU A 89 1.841 -8.513 12.210 1.00 0.00 C ATOM 1477 CD GLU A 89 3.047 -9.367 11.867 1.00 0.00 C ATOM 1478 OE1 GLU A 89 3.839 -8.974 10.987 1.00 0.00 O ATOM 1479 OE2 GLU A 89 3.194 -10.451 12.470 1.00 0.00 O ATOM 0 H GLU A 89 2.106 -4.991 14.338 1.00 0.00 H new ATOM 0 HA GLU A 89 0.418 -6.225 12.240 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.918 -6.648 12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.566 -7.482 13.978 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.142 -9.116 12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.335 -8.240 11.284 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.359 -7.176 13.731 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.397 -7.896 14.528 1.00 0.00 C ATOM 1488 C VAL A 90 -2.589 -9.364 14.019 1.00 0.00 C ATOM 1489 O VAL A 90 -2.667 -9.619 12.809 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.754 -7.131 14.642 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -3.666 -5.738 15.293 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.568 -7.001 13.343 1.00 0.00 C ATOM 0 H VAL A 90 -1.678 -6.871 12.811 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.012 -7.940 15.547 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.290 -7.805 15.310 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.658 -5.289 15.326 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.277 -5.834 16.307 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.000 -5.104 14.707 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.488 -6.453 13.544 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.981 -6.464 12.598 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.812 -7.994 12.966 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.723 -10.318 14.958 1.00 0.00 N ATOM 1503 CA ARG A 91 -3.116 -11.724 14.646 1.00 0.00 C ATOM 1504 C ARG A 91 -4.313 -12.215 15.537 1.00 0.00 C ATOM 1505 O ARG A 91 -4.628 -11.651 16.591 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.855 -12.638 14.694 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.928 -12.527 13.458 1.00 0.00 C ATOM 1508 CD ARG A 91 0.470 -13.164 13.636 1.00 0.00 C ATOM 1509 NE ARG A 91 1.527 -12.146 13.906 1.00 0.00 N ATOM 1510 CZ ARG A 91 1.841 -11.619 15.087 1.00 0.00 C ATOM 1511 NH1 ARG A 91 1.320 -11.975 16.227 1.00 0.00 N ATOM 1512 NH2 ARG A 91 2.730 -10.678 15.100 1.00 0.00 N ATOM 0 H ARG A 91 -2.565 -10.148 15.951 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.507 -11.778 13.630 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.279 -12.393 15.586 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.178 -13.674 14.797 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.421 -12.999 12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.803 -11.473 13.209 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.439 -13.879 14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.729 -13.723 12.737 1.00 0.00 H new ATOM 0 HE ARG A 91 2.064 -11.820 13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.614 -12.711 16.258 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.618 -11.518 17.089 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.159 -10.369 14.227 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.002 -10.245 15.983 1.00 0.00 H new ATOM 1526 N VAL A 92 -5.017 -13.271 15.076 1.00 0.00 N ATOM 1527 CA VAL A 92 -6.242 -13.797 15.755 1.00 0.00 C ATOM 1528 C VAL A 92 -5.795 -14.742 16.899 1.00 0.00 C ATOM 1529 O VAL A 92 -6.503 -14.906 17.896 1.00 0.00 O ATOM 1530 CB VAL A 92 -7.228 -14.467 14.732 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -8.512 -15.029 15.393 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -7.719 -13.517 13.611 1.00 0.00 C ATOM 0 H VAL A 92 -4.764 -13.785 14.232 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.815 -12.979 16.193 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.617 -15.267 14.314 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.148 -15.477 14.630 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.241 -15.785 16.129 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.052 -14.220 15.886 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.395 -14.056 12.947 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.244 -12.671 14.055 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.864 -13.154 13.041 1.00 0.00 H new