USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, 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 Set 1.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.0601 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Set 3.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 24 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.799 K(o=-0.8,f=-1.8!) USER MOD Single : A 14 GLN : amide:sc= -4.28! C(o=-4.3!,f=-9.8!) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.546 (180deg=-0.641) USER MOD Single : A 19 GLN : amide:sc=-0.00807 X(o=-0.0081,f=-0.0064) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 25 ASN : amide:sc= -0.026 X(o=-0.026,f=-0.29) USER MOD Single : A 27 SER OG : rot 180:sc= -0.668 USER MOD Single : A 36 SER OG : rot 180:sc= -0.138 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -4.73 K(o=-4.7,f=-13!) USER MOD Single : A 71 TYR OH : rot 59:sc= -1.73 USER MOD Single : A 73 ASN : amide:sc= 0.93 K(o=0.93,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.613 -10.463 -4.539 1.00 0.00 N ATOM 27 CA ILE A 3 -1.735 -9.539 -3.841 1.00 0.00 C ATOM 28 C ILE A 3 -2.133 -8.103 -4.188 1.00 0.00 C ATOM 29 O ILE A 3 -2.335 -7.279 -3.298 1.00 0.00 O ATOM 30 CB ILE A 3 -0.270 -9.862 -4.143 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.616 -9.569 -2.930 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.208 -9.122 -5.394 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.806 -8.063 -2.740 1.00 0.00 C ATOM 0 HA ILE A 3 -1.846 -9.648 -2.762 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.191 -10.929 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.166 -9.998 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.586 -10.048 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.252 -9.369 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.399 -9.422 -6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.112 -8.047 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.439 -7.883 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.278 -7.641 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.164 -7.590 -2.586 1.00 0.00 H new ATOM 45 N GLU A 4 -2.234 -7.848 -5.484 1.00 0.00 N ATOM 46 CA GLU A 4 -2.604 -6.526 -5.960 1.00 0.00 C ATOM 47 C GLU A 4 -4.106 -6.297 -5.777 1.00 0.00 C ATOM 48 O GLU A 4 -4.518 -5.300 -5.186 1.00 0.00 O ATOM 49 CB GLU A 4 -2.195 -6.335 -7.422 1.00 0.00 C ATOM 50 CG GLU A 4 -3.259 -5.550 -8.191 1.00 0.00 C ATOM 51 CD GLU A 4 -2.746 -5.138 -9.572 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.270 -5.607 -10.594 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.767 -4.299 -9.562 1.00 0.00 O ATOM 0 H GLU A 4 -2.066 -8.535 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.068 -5.785 -5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.243 -5.807 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.045 -7.307 -7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.157 -6.158 -8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.541 -4.663 -7.625 1.00 0.00 H new ATOM 61 N GLU A 5 -4.883 -7.237 -6.294 1.00 0.00 N ATOM 62 CA GLU A 5 -6.330 -7.151 -6.195 1.00 0.00 C ATOM 63 C GLU A 5 -6.748 -6.886 -4.747 1.00 0.00 C ATOM 64 O GLU A 5 -7.828 -6.354 -4.496 1.00 0.00 O ATOM 65 CB GLU A 5 -6.993 -8.420 -6.734 1.00 0.00 C ATOM 66 CG GLU A 5 -6.294 -9.672 -6.202 1.00 0.00 C ATOM 67 CD GLU A 5 -7.171 -10.912 -6.392 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.106 -11.135 -5.609 1.00 0.00 O ATOM 69 OE2 GLU A 5 -6.853 -11.656 -7.396 1.00 0.00 O ATOM 0 H GLU A 5 -4.538 -8.063 -6.783 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.668 -6.316 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.044 -8.436 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.961 -8.417 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.345 -9.811 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.064 -9.543 -5.144 1.00 0.00 H new ATOM 77 N ARG A 6 -5.870 -7.270 -3.832 1.00 0.00 N ATOM 78 CA ARG A 6 -6.134 -7.081 -2.416 1.00 0.00 C ATOM 79 C ARG A 6 -5.453 -5.806 -1.914 1.00 0.00 C ATOM 80 O ARG A 6 -5.969 -5.132 -1.024 1.00 0.00 O ATOM 81 CB ARG A 6 -5.634 -8.274 -1.598 1.00 0.00 C ATOM 82 CG ARG A 6 -6.625 -9.437 -1.663 1.00 0.00 C ATOM 83 CD ARG A 6 -6.275 -10.513 -0.633 1.00 0.00 C ATOM 84 NE ARG A 6 -6.348 -9.950 0.733 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.111 -10.658 1.858 1.00 0.00 C ATOM 86 NH1 ARG A 6 -5.782 -11.965 1.788 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.204 -10.052 3.027 1.00 0.00 N ATOM 0 H ARG A 6 -4.975 -7.711 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.213 -6.995 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.664 -8.597 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.489 -7.973 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.635 -9.070 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.618 -9.870 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.962 -11.354 -0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.273 -10.898 -0.823 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.593 -8.965 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.711 -12.425 0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.605 -12.493 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.452 -9.064 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.028 -10.572 3.887 1.00 0.00 H new ATOM 100 N VAL A 7 -4.305 -5.514 -2.507 1.00 0.00 N ATOM 101 CA VAL A 7 -3.548 -4.332 -2.132 1.00 0.00 C ATOM 102 C VAL A 7 -4.493 -3.131 -2.052 1.00 0.00 C ATOM 103 O VAL A 7 -4.407 -2.329 -1.123 1.00 0.00 O ATOM 104 CB VAL A 7 -2.391 -4.118 -3.110 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.988 -2.644 -3.170 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.195 -4.999 -2.745 1.00 0.00 C ATOM 0 H VAL A 7 -3.880 -6.076 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.102 -4.462 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.733 -4.412 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.164 -2.520 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.838 -2.047 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.674 -2.312 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.387 -4.828 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.853 -4.751 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.492 -6.047 -2.779 1.00 0.00 H new ATOM 116 N LYS A 8 -5.373 -3.044 -3.039 1.00 0.00 N ATOM 117 CA LYS A 8 -6.332 -1.954 -3.092 1.00 0.00 C ATOM 118 C LYS A 8 -7.071 -1.865 -1.756 1.00 0.00 C ATOM 119 O LYS A 8 -7.242 -0.777 -1.208 1.00 0.00 O ATOM 120 CB LYS A 8 -7.260 -2.116 -4.298 1.00 0.00 C ATOM 121 CG LYS A 8 -7.176 -0.899 -5.222 1.00 0.00 C ATOM 122 CD LYS A 8 -5.972 -1.004 -6.160 1.00 0.00 C ATOM 123 CE LYS A 8 -6.273 -0.358 -7.513 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.223 -1.369 -8.593 1.00 0.00 N ATOM 0 H LYS A 8 -5.442 -3.711 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.820 -1.003 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.990 -3.016 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.287 -2.247 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.092 -0.819 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.099 0.010 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.109 -0.518 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.709 -2.052 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.258 0.108 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.550 0.433 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.430 -0.913 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.275 -1.795 -8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.929 -2.110 -8.408 1.00 0.00 H new ATOM 137 N LYS A 9 -7.490 -3.025 -1.269 1.00 0.00 N ATOM 138 CA LYS A 9 -8.207 -3.091 -0.007 1.00 0.00 C ATOM 139 C LYS A 9 -7.325 -2.522 1.106 1.00 0.00 C ATOM 140 O LYS A 9 -7.743 -1.625 1.837 1.00 0.00 O ATOM 141 CB LYS A 9 -8.690 -4.518 0.260 1.00 0.00 C ATOM 142 CG LYS A 9 -10.087 -4.743 -0.322 1.00 0.00 C ATOM 143 CD LYS A 9 -10.442 -6.231 -0.338 1.00 0.00 C ATOM 144 CE LYS A 9 -11.785 -6.467 -1.033 1.00 0.00 C ATOM 145 NZ LYS A 9 -11.982 -7.908 -1.304 1.00 0.00 N ATOM 0 H LYS A 9 -7.346 -3.926 -1.726 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.106 -2.477 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.991 -5.230 -0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.705 -4.706 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.823 -4.196 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.131 -4.344 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.660 -6.790 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.486 -6.609 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.596 -6.095 -0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.821 -5.907 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.898 -8.050 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.218 -8.253 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.969 -8.435 -0.407 1.00 0.00 H new ATOM 158 N ILE A 10 -6.121 -3.066 1.200 1.00 0.00 N ATOM 159 CA ILE A 10 -5.176 -2.624 2.212 1.00 0.00 C ATOM 160 C ILE A 10 -5.135 -1.095 2.230 1.00 0.00 C ATOM 161 O ILE A 10 -5.263 -0.479 3.288 1.00 0.00 O ATOM 162 CB ILE A 10 -3.809 -3.274 1.989 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.841 -4.758 2.358 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.714 -2.519 2.745 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.571 -5.468 1.884 1.00 0.00 C ATOM 0 H ILE A 10 -5.778 -3.809 0.592 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.498 -2.947 3.202 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.570 -3.211 0.927 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.941 -4.866 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.715 -5.229 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.752 -3.001 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.673 -1.488 2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.936 -2.529 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.619 -6.522 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.487 -5.379 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.701 -5.010 2.354 1.00 0.00 H new ATOM 177 N ILE A 11 -4.956 -0.525 1.048 1.00 0.00 N ATOM 178 CA ILE A 11 -4.896 0.921 0.915 1.00 0.00 C ATOM 179 C ILE A 11 -6.299 1.504 1.094 1.00 0.00 C ATOM 180 O ILE A 11 -6.450 2.659 1.487 1.00 0.00 O ATOM 181 CB ILE A 11 -4.232 1.310 -0.408 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.918 0.552 -0.606 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.039 2.825 -0.499 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.830 1.087 0.327 1.00 0.00 C ATOM 0 H ILE A 11 -4.850 -1.038 0.173 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.270 1.350 1.697 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.896 1.020 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.075 -0.510 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.592 0.646 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.565 3.075 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.008 3.320 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.406 3.161 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.907 0.531 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.659 2.143 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.148 0.969 1.363 1.00 0.00 H new ATOM 196 N GLY A 12 -7.291 0.677 0.796 1.00 0.00 N ATOM 197 CA GLY A 12 -8.677 1.096 0.919 1.00 0.00 C ATOM 198 C GLY A 12 -9.104 1.153 2.387 1.00 0.00 C ATOM 199 O GLY A 12 -10.043 1.866 2.737 1.00 0.00 O ATOM 0 H GLY A 12 -7.162 -0.281 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.806 2.076 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.320 0.403 0.376 1.00 0.00 H new ATOM 203 N GLN A 13 -8.395 0.391 3.207 1.00 0.00 N ATOM 204 CA GLN A 13 -8.689 0.345 4.629 1.00 0.00 C ATOM 205 C GLN A 13 -7.628 1.117 5.415 1.00 0.00 C ATOM 206 O GLN A 13 -7.958 1.974 6.234 1.00 0.00 O ATOM 207 CB GLN A 13 -8.794 -1.100 5.121 1.00 0.00 C ATOM 208 CG GLN A 13 -10.231 -1.441 5.518 1.00 0.00 C ATOM 209 CD GLN A 13 -10.744 -0.486 6.598 1.00 0.00 C ATOM 210 OE1 GLN A 13 -11.273 0.578 6.322 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.557 -0.923 7.840 1.00 0.00 N ATOM 0 H GLN A 13 -7.617 -0.200 2.913 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.655 0.821 4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.458 -1.780 4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.133 -1.246 5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.877 -1.385 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.277 -2.467 5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.107 -1.824 8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.864 -0.357 8.631 1.00 0.00 H new ATOM 220 N GLN A 14 -6.375 0.786 5.140 1.00 0.00 N ATOM 221 CA GLN A 14 -5.263 1.437 5.811 1.00 0.00 C ATOM 222 C GLN A 14 -5.400 2.958 5.710 1.00 0.00 C ATOM 223 O GLN A 14 -5.588 3.636 6.719 1.00 0.00 O ATOM 224 CB GLN A 14 -3.925 0.967 5.238 1.00 0.00 C ATOM 225 CG GLN A 14 -3.627 -0.475 5.652 1.00 0.00 C ATOM 226 CD GLN A 14 -3.736 -0.644 7.169 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.801 -0.401 7.915 1.00 0.00 O ATOM 228 NE2 GLN A 14 -4.925 -1.072 7.581 1.00 0.00 N ATOM 0 H GLN A 14 -6.105 0.075 4.461 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.286 1.159 6.865 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.945 1.040 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.126 1.622 5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.324 -1.151 5.156 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.626 -0.752 5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.664 -1.256 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.099 -1.216 8.576 1.00 0.00 H new ATOM 237 N LEU A 15 -5.299 3.449 4.484 1.00 0.00 N ATOM 238 CA LEU A 15 -5.409 4.877 4.238 1.00 0.00 C ATOM 239 C LEU A 15 -6.765 5.374 4.744 1.00 0.00 C ATOM 240 O LEU A 15 -6.898 6.532 5.135 1.00 0.00 O ATOM 241 CB LEU A 15 -5.151 5.188 2.762 1.00 0.00 C ATOM 242 CG LEU A 15 -3.795 4.744 2.210 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.316 5.689 1.107 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.765 4.604 3.333 1.00 0.00 C ATOM 0 H LEU A 15 -5.142 2.883 3.650 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.643 5.420 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.934 4.716 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.246 6.264 2.616 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.916 3.759 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.350 5.351 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.040 5.694 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.216 6.697 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.810 4.287 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.641 5.564 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.110 3.861 4.052 1.00 0.00 H new ATOM 256 N GLY A 16 -7.736 4.473 4.719 1.00 0.00 N ATOM 257 CA GLY A 16 -9.077 4.806 5.171 1.00 0.00 C ATOM 258 C GLY A 16 -9.858 5.535 4.076 1.00 0.00 C ATOM 259 O GLY A 16 -10.419 6.604 4.315 1.00 0.00 O ATOM 0 H GLY A 16 -7.621 3.513 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.605 3.896 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.020 5.433 6.061 1.00 0.00 H new ATOM 263 N VAL A 17 -9.870 4.929 2.898 1.00 0.00 N ATOM 264 CA VAL A 17 -10.574 5.507 1.766 1.00 0.00 C ATOM 265 C VAL A 17 -11.440 4.432 1.106 1.00 0.00 C ATOM 266 O VAL A 17 -11.645 3.360 1.674 1.00 0.00 O ATOM 267 CB VAL A 17 -9.575 6.146 0.799 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.772 7.249 1.491 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.647 5.090 0.193 1.00 0.00 C ATOM 0 H VAL A 17 -9.403 4.043 2.703 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.240 6.303 2.097 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.140 6.602 -0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.069 7.687 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.451 8.021 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.223 6.826 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.947 5.570 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.093 4.592 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.239 4.355 -0.352 1.00 0.00 H new ATOM 279 N LYS A 18 -11.926 4.756 -0.083 1.00 0.00 N ATOM 280 CA LYS A 18 -12.766 3.832 -0.826 1.00 0.00 C ATOM 281 C LYS A 18 -11.930 2.626 -1.259 1.00 0.00 C ATOM 282 O LYS A 18 -10.759 2.516 -0.898 1.00 0.00 O ATOM 283 CB LYS A 18 -13.457 4.550 -1.986 1.00 0.00 C ATOM 284 CG LYS A 18 -14.602 5.432 -1.482 1.00 0.00 C ATOM 285 CD LYS A 18 -14.081 6.793 -1.017 1.00 0.00 C ATOM 286 CE LYS A 18 -14.000 6.857 0.510 1.00 0.00 C ATOM 287 NZ LYS A 18 -12.896 7.747 0.934 1.00 0.00 N ATOM 0 H LYS A 18 -11.754 5.646 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.569 3.453 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.732 5.161 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.843 3.817 -2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.335 5.571 -2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.114 4.934 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.095 6.974 -1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.738 7.582 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.944 7.221 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.844 5.857 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.745 7.649 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.025 7.485 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.141 8.733 0.713 1.00 0.00 H new ATOM 300 N GLN A 19 -12.563 1.753 -2.028 1.00 0.00 N ATOM 301 CA GLN A 19 -11.892 0.559 -2.515 1.00 0.00 C ATOM 302 C GLN A 19 -11.961 0.498 -4.042 1.00 0.00 C ATOM 303 O GLN A 19 -10.973 0.169 -4.698 1.00 0.00 O ATOM 304 CB GLN A 19 -12.492 -0.701 -1.888 1.00 0.00 C ATOM 305 CG GLN A 19 -12.137 -0.797 -0.403 1.00 0.00 C ATOM 306 CD GLN A 19 -13.342 -1.255 0.420 1.00 0.00 C ATOM 307 OE1 GLN A 19 -13.988 -2.248 0.124 1.00 0.00 O ATOM 308 NE2 GLN A 19 -13.609 -0.480 1.468 1.00 0.00 N ATOM 0 H GLN A 19 -13.534 1.848 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.844 0.608 -2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.575 -0.690 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.123 -1.583 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.312 -1.497 -0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.794 0.173 -0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.029 0.337 1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.394 -0.703 2.080 1.00 0.00 H new ATOM 317 N GLU A 20 -13.135 0.819 -4.564 1.00 0.00 N ATOM 318 CA GLU A 20 -13.345 0.804 -6.001 1.00 0.00 C ATOM 319 C GLU A 20 -12.936 2.146 -6.611 1.00 0.00 C ATOM 320 O GLU A 20 -12.506 2.203 -7.762 1.00 0.00 O ATOM 321 CB GLU A 20 -14.799 0.469 -6.340 1.00 0.00 C ATOM 322 CG GLU A 20 -15.704 1.685 -6.136 1.00 0.00 C ATOM 323 CD GLU A 20 -17.141 1.377 -6.562 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.529 1.678 -7.701 1.00 0.00 O ATOM 325 OE2 GLU A 20 -17.865 0.803 -5.662 1.00 0.00 O ATOM 0 H GLU A 20 -13.952 1.091 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.717 0.024 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.866 0.131 -7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.142 -0.353 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.688 1.983 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.323 2.527 -6.713 1.00 0.00 H new ATOM 333 N GLU A 21 -13.084 3.193 -5.812 1.00 0.00 N ATOM 334 CA GLU A 21 -12.735 4.531 -6.259 1.00 0.00 C ATOM 335 C GLU A 21 -11.230 4.765 -6.109 1.00 0.00 C ATOM 336 O GLU A 21 -10.646 5.561 -6.843 1.00 0.00 O ATOM 337 CB GLU A 21 -13.533 5.589 -5.496 1.00 0.00 C ATOM 338 CG GLU A 21 -15.038 5.346 -5.633 1.00 0.00 C ATOM 339 CD GLU A 21 -15.583 5.989 -6.910 1.00 0.00 C ATOM 340 OE1 GLU A 21 -15.329 5.486 -8.014 1.00 0.00 O ATOM 341 OE2 GLU A 21 -16.295 7.048 -6.726 1.00 0.00 O ATOM 0 H GLU A 21 -13.441 3.142 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.993 4.620 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.253 5.572 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.285 6.580 -5.875 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.237 4.274 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.556 5.755 -4.766 1.00 0.00 H new ATOM 349 N VAL A 22 -10.646 4.057 -5.154 1.00 0.00 N ATOM 350 CA VAL A 22 -9.221 4.177 -4.899 1.00 0.00 C ATOM 351 C VAL A 22 -8.445 3.488 -6.023 1.00 0.00 C ATOM 352 O VAL A 22 -8.544 2.275 -6.197 1.00 0.00 O ATOM 353 CB VAL A 22 -8.888 3.619 -3.514 1.00 0.00 C ATOM 354 CG1 VAL A 22 -8.551 2.128 -3.590 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.748 4.406 -2.864 1.00 0.00 C ATOM 0 H VAL A 22 -11.134 3.398 -4.547 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.922 5.225 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.772 3.732 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.318 1.756 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.405 1.582 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.689 1.982 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.532 3.988 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.858 4.341 -3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.041 5.450 -2.758 1.00 0.00 H new ATOM 365 N THR A 23 -7.691 4.293 -6.758 1.00 0.00 N ATOM 366 CA THR A 23 -6.899 3.775 -7.861 1.00 0.00 C ATOM 367 C THR A 23 -5.531 3.306 -7.361 1.00 0.00 C ATOM 368 O THR A 23 -5.223 3.428 -6.176 1.00 0.00 O ATOM 369 CB THR A 23 -6.813 4.864 -8.932 1.00 0.00 C ATOM 370 OG1 THR A 23 -6.219 5.970 -8.257 1.00 0.00 O ATOM 371 CG2 THR A 23 -8.190 5.380 -9.354 1.00 0.00 C ATOM 0 H THR A 23 -7.612 5.299 -6.611 1.00 0.00 H new ATOM 0 HA THR A 23 -7.366 2.896 -8.306 1.00 0.00 H new ATOM 0 HB THR A 23 -6.289 4.474 -9.804 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.124 6.721 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.072 6.151 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.779 4.557 -9.759 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.702 5.800 -8.488 1.00 0.00 H new ATOM 379 N ASN A 24 -4.747 2.778 -8.289 1.00 0.00 N ATOM 380 CA ASN A 24 -3.419 2.289 -7.958 1.00 0.00 C ATOM 381 C ASN A 24 -2.403 3.417 -8.149 1.00 0.00 C ATOM 382 O ASN A 24 -1.517 3.606 -7.317 1.00 0.00 O ATOM 383 CB ASN A 24 -3.016 1.130 -8.871 1.00 0.00 C ATOM 384 CG ASN A 24 -3.264 1.476 -10.340 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.496 2.178 -10.977 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.377 0.947 -10.840 1.00 0.00 N ATOM 0 H ASN A 24 -5.006 2.678 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.434 1.945 -6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.962 0.895 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.582 0.238 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.632 1.120 -11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.976 0.368 -10.251 1.00 0.00 H new ATOM 393 N ASN A 25 -2.566 4.137 -9.249 1.00 0.00 N ATOM 394 CA ASN A 25 -1.674 5.241 -9.559 1.00 0.00 C ATOM 395 C ASN A 25 -1.830 6.331 -8.497 1.00 0.00 C ATOM 396 O ASN A 25 -1.018 7.252 -8.424 1.00 0.00 O ATOM 397 CB ASN A 25 -2.009 5.855 -10.920 1.00 0.00 C ATOM 398 CG ASN A 25 -0.841 6.690 -11.448 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.304 6.269 -11.454 1.00 0.00 O ATOM 400 ND2 ASN A 25 -1.194 7.894 -11.889 1.00 0.00 N ATOM 0 H ASN A 25 -3.302 3.977 -9.936 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.655 4.855 -9.579 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.246 5.064 -11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.897 6.481 -10.832 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.487 8.528 -12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.172 8.183 -11.855 1.00 0.00 H new ATOM 407 N ALA A 26 -2.880 6.191 -7.701 1.00 0.00 N ATOM 408 CA ALA A 26 -3.153 7.153 -6.647 1.00 0.00 C ATOM 409 C ALA A 26 -1.881 7.380 -5.827 1.00 0.00 C ATOM 410 O ALA A 26 -1.302 6.433 -5.298 1.00 0.00 O ATOM 411 CB ALA A 26 -4.318 6.654 -5.789 1.00 0.00 C ATOM 0 H ALA A 26 -3.552 5.426 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.448 8.113 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.523 7.376 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.205 6.537 -6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.057 5.693 -5.345 1.00 0.00 H new ATOM 417 N SER A 27 -1.484 8.641 -5.748 1.00 0.00 N ATOM 418 CA SER A 27 -0.291 9.005 -5.002 1.00 0.00 C ATOM 419 C SER A 27 -0.680 9.545 -3.625 1.00 0.00 C ATOM 420 O SER A 27 -0.352 10.681 -3.284 1.00 0.00 O ATOM 421 CB SER A 27 0.540 10.040 -5.763 1.00 0.00 C ATOM 422 OG SER A 27 0.647 9.725 -7.148 1.00 0.00 O ATOM 0 H SER A 27 -1.967 9.424 -6.188 1.00 0.00 H new ATOM 0 HA SER A 27 0.320 8.111 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.086 11.024 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.537 10.097 -5.326 1.00 0.00 H new ATOM 0 HG SER A 27 1.183 10.410 -7.599 1.00 0.00 H new ATOM 428 N PHE A 28 -1.373 8.706 -2.869 1.00 0.00 N ATOM 429 CA PHE A 28 -1.810 9.085 -1.536 1.00 0.00 C ATOM 430 C PHE A 28 -0.736 9.907 -0.820 1.00 0.00 C ATOM 431 O PHE A 28 0.436 9.857 -1.188 1.00 0.00 O ATOM 432 CB PHE A 28 -2.047 7.789 -0.758 1.00 0.00 C ATOM 433 CG PHE A 28 -0.764 7.048 -0.377 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.087 6.620 -1.347 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.475 6.818 0.932 1.00 0.00 C ATOM 436 CE1 PHE A 28 1.278 5.932 -0.993 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.716 6.130 1.285 1.00 0.00 C ATOM 438 CZ PHE A 28 1.567 5.702 0.315 1.00 0.00 C ATOM 0 H PHE A 28 -1.643 7.765 -3.154 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.713 9.693 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.605 8.019 0.150 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.672 7.127 -1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.143 6.803 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.151 7.158 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.954 5.592 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.946 5.947 2.324 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.473 5.179 0.584 1.00 0.00 H new ATOM 448 N VAL A 29 -1.176 10.643 0.190 1.00 0.00 N ATOM 449 CA VAL A 29 -0.267 11.475 0.960 1.00 0.00 C ATOM 450 C VAL A 29 -0.098 12.824 0.260 1.00 0.00 C ATOM 451 O VAL A 29 -0.195 13.873 0.894 1.00 0.00 O ATOM 452 CB VAL A 29 1.060 10.742 1.173 1.00 0.00 C ATOM 453 CG1 VAL A 29 1.842 11.351 2.339 1.00 0.00 C ATOM 454 CG2 VAL A 29 0.830 9.245 1.390 1.00 0.00 C ATOM 0 H VAL A 29 -2.149 10.681 0.493 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.678 11.672 1.950 1.00 0.00 H new ATOM 0 HB VAL A 29 1.658 10.862 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.780 10.812 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.052 12.400 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.251 11.276 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.788 8.747 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.204 9.097 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.334 8.823 0.516 1.00 0.00 H new ATOM 464 N GLU A 30 0.151 12.753 -1.040 1.00 0.00 N ATOM 465 CA GLU A 30 0.334 13.956 -1.833 1.00 0.00 C ATOM 466 C GLU A 30 -0.910 14.226 -2.683 1.00 0.00 C ATOM 467 O GLU A 30 -1.170 15.366 -3.065 1.00 0.00 O ATOM 468 CB GLU A 30 1.584 13.851 -2.709 1.00 0.00 C ATOM 469 CG GLU A 30 1.805 15.138 -3.506 1.00 0.00 C ATOM 470 CD GLU A 30 1.113 15.065 -4.869 1.00 0.00 C ATOM 471 OE1 GLU A 30 1.506 14.255 -5.721 1.00 0.00 O ATOM 472 OE2 GLU A 30 0.133 15.889 -5.027 1.00 0.00 O ATOM 0 H GLU A 30 0.230 11.881 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 30 0.476 14.797 -1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.455 13.652 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.483 13.008 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.420 15.989 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.873 15.305 -3.645 1.00 0.00 H new ATOM 480 N ASP A 31 -1.645 13.157 -2.955 1.00 0.00 N ATOM 481 CA ASP A 31 -2.854 13.264 -3.753 1.00 0.00 C ATOM 482 C ASP A 31 -4.074 13.059 -2.851 1.00 0.00 C ATOM 483 O ASP A 31 -4.628 14.022 -2.323 1.00 0.00 O ATOM 484 CB ASP A 31 -2.890 12.195 -4.846 1.00 0.00 C ATOM 485 CG ASP A 31 -2.431 12.666 -6.227 1.00 0.00 C ATOM 486 OD1 ASP A 31 -1.284 12.429 -6.635 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.319 13.312 -6.905 1.00 0.00 O ATOM 0 H ASP A 31 -1.426 12.213 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.867 14.251 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.262 11.359 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.908 11.815 -4.928 1.00 0.00 H new ATOM 493 N LEU A 32 -4.456 11.799 -2.704 1.00 0.00 N ATOM 494 CA LEU A 32 -5.600 11.456 -1.876 1.00 0.00 C ATOM 495 C LEU A 32 -5.513 12.219 -0.553 1.00 0.00 C ATOM 496 O LEU A 32 -5.955 13.363 -0.461 1.00 0.00 O ATOM 497 CB LEU A 32 -5.702 9.939 -1.707 1.00 0.00 C ATOM 498 CG LEU A 32 -6.532 9.201 -2.759 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.885 7.865 -3.129 1.00 0.00 C ATOM 500 CD2 LEU A 32 -7.979 9.028 -2.294 1.00 0.00 C ATOM 0 H LEU A 32 -3.994 11.003 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.527 11.762 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.694 9.524 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.128 9.731 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.556 9.809 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.495 7.361 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.888 8.043 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.810 7.238 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.547 8.501 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.997 8.453 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.425 10.007 -2.121 1.00 0.00 H new ATOM 512 N GLY A 33 -4.940 11.554 0.440 1.00 0.00 N ATOM 513 CA GLY A 33 -4.789 12.154 1.754 1.00 0.00 C ATOM 514 C GLY A 33 -4.457 11.095 2.807 1.00 0.00 C ATOM 515 O GLY A 33 -5.346 10.400 3.295 1.00 0.00 O ATOM 0 H GLY A 33 -4.575 10.605 0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.999 12.904 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.709 12.670 2.030 1.00 0.00 H new ATOM 519 N ALA A 34 -3.174 11.005 3.125 1.00 0.00 N ATOM 520 CA ALA A 34 -2.713 10.041 4.110 1.00 0.00 C ATOM 521 C ALA A 34 -1.429 10.560 4.762 1.00 0.00 C ATOM 522 O ALA A 34 -0.329 10.234 4.320 1.00 0.00 O ATOM 523 CB ALA A 34 -2.518 8.680 3.441 1.00 0.00 C ATOM 0 H ALA A 34 -2.439 11.584 2.718 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.455 9.913 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.172 7.957 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.465 8.343 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.778 8.768 2.646 1.00 0.00 H new ATOM 529 N ASP A 35 -1.613 11.358 5.803 1.00 0.00 N ATOM 530 CA ASP A 35 -0.484 11.925 6.521 1.00 0.00 C ATOM 531 C ASP A 35 -0.533 11.470 7.981 1.00 0.00 C ATOM 532 O ASP A 35 -0.223 12.243 8.886 1.00 0.00 O ATOM 533 CB ASP A 35 -0.529 13.454 6.500 1.00 0.00 C ATOM 534 CG ASP A 35 0.806 14.136 6.198 1.00 0.00 C ATOM 535 OD1 ASP A 35 0.902 14.981 5.296 1.00 0.00 O ATOM 536 OD2 ASP A 35 1.790 13.763 6.945 1.00 0.00 O ATOM 0 H ASP A 35 -2.528 11.626 6.167 1.00 0.00 H new ATOM 0 HA ASP A 35 0.430 11.585 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.258 13.771 5.755 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.889 13.805 7.467 1.00 0.00 H new ATOM 542 N SER A 36 -0.924 10.217 8.165 1.00 0.00 N ATOM 543 CA SER A 36 -1.017 9.651 9.499 1.00 0.00 C ATOM 544 C SER A 36 -0.810 8.136 9.440 1.00 0.00 C ATOM 545 O SER A 36 0.088 7.603 10.091 1.00 0.00 O ATOM 546 CB SER A 36 -2.366 9.977 10.143 1.00 0.00 C ATOM 547 OG SER A 36 -2.365 9.720 11.545 1.00 0.00 O ATOM 0 H SER A 36 -1.180 9.578 7.412 1.00 0.00 H new ATOM 0 HA SER A 36 -0.234 10.095 10.114 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.608 11.025 9.967 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.148 9.385 9.667 1.00 0.00 H new ATOM 0 HG SER A 36 -3.243 9.942 11.919 1.00 0.00 H new ATOM 553 N LEU A 37 -1.655 7.485 8.654 1.00 0.00 N ATOM 554 CA LEU A 37 -1.576 6.043 8.502 1.00 0.00 C ATOM 555 C LEU A 37 -1.288 5.704 7.038 1.00 0.00 C ATOM 556 O LEU A 37 -1.912 4.808 6.470 1.00 0.00 O ATOM 557 CB LEU A 37 -2.839 5.376 9.051 1.00 0.00 C ATOM 558 CG LEU A 37 -4.056 6.286 9.227 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.356 5.483 9.160 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.950 7.099 10.519 1.00 0.00 C ATOM 0 H LEU A 37 -2.398 7.930 8.116 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.751 5.643 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.114 4.560 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.600 4.931 10.017 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.074 6.996 8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.205 6.154 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.428 4.987 8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.363 4.734 9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.828 7.738 10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.894 6.422 11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.053 7.717 10.487 1.00 0.00 H new ATOM 572 N ASP A 38 -0.344 6.438 6.468 1.00 0.00 N ATOM 573 CA ASP A 38 0.034 6.227 5.081 1.00 0.00 C ATOM 574 C ASP A 38 0.956 5.009 4.988 1.00 0.00 C ATOM 575 O ASP A 38 0.741 4.125 4.160 1.00 0.00 O ATOM 576 CB ASP A 38 0.789 7.436 4.526 1.00 0.00 C ATOM 577 CG ASP A 38 2.313 7.355 4.641 1.00 0.00 C ATOM 578 OD1 ASP A 38 2.900 7.768 5.652 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.909 6.834 3.622 1.00 0.00 O ATOM 0 H ASP A 38 0.171 7.180 6.942 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.877 6.075 4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.525 7.560 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.447 8.330 5.048 1.00 0.00 H new ATOM 585 N THR A 39 1.963 5.002 5.849 1.00 0.00 N ATOM 586 CA THR A 39 2.918 3.908 5.875 1.00 0.00 C ATOM 587 C THR A 39 2.792 3.120 7.180 1.00 0.00 C ATOM 588 O THR A 39 2.587 1.907 7.160 1.00 0.00 O ATOM 589 CB THR A 39 4.314 4.494 5.651 1.00 0.00 C ATOM 590 OG1 THR A 39 5.181 3.366 5.736 1.00 0.00 O ATOM 591 CG2 THR A 39 4.762 5.395 6.804 1.00 0.00 C ATOM 0 H THR A 39 2.138 5.737 6.534 1.00 0.00 H new ATOM 0 HA THR A 39 2.719 3.190 5.079 1.00 0.00 H new ATOM 0 HB THR A 39 4.325 5.062 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.108 3.655 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.758 5.785 6.595 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.063 6.224 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.784 4.818 7.729 1.00 0.00 H new ATOM 599 N VAL A 40 2.919 3.841 8.284 1.00 0.00 N ATOM 600 CA VAL A 40 2.822 3.224 9.596 1.00 0.00 C ATOM 601 C VAL A 40 1.711 2.172 9.579 1.00 0.00 C ATOM 602 O VAL A 40 1.808 1.150 10.257 1.00 0.00 O ATOM 603 CB VAL A 40 2.611 4.298 10.665 1.00 0.00 C ATOM 604 CG1 VAL A 40 2.204 3.671 12.000 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.862 5.165 10.825 1.00 0.00 C ATOM 0 H VAL A 40 3.088 4.847 8.297 1.00 0.00 H new ATOM 0 HA VAL A 40 3.751 2.712 9.847 1.00 0.00 H new ATOM 0 HB VAL A 40 1.796 4.943 10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.060 4.456 12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.274 3.117 11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.987 2.992 12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.686 5.920 11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.704 4.538 11.120 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.089 5.654 9.878 1.00 0.00 H new ATOM 615 N GLU A 41 0.681 2.458 8.796 1.00 0.00 N ATOM 616 CA GLU A 41 -0.447 1.549 8.682 1.00 0.00 C ATOM 617 C GLU A 41 -0.226 0.572 7.525 1.00 0.00 C ATOM 618 O GLU A 41 -0.211 -0.641 7.727 1.00 0.00 O ATOM 619 CB GLU A 41 -1.757 2.320 8.507 1.00 0.00 C ATOM 620 CG GLU A 41 -2.565 2.331 9.806 1.00 0.00 C ATOM 621 CD GLU A 41 -1.683 2.713 10.997 1.00 0.00 C ATOM 622 OE1 GLU A 41 -0.805 3.579 10.865 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.936 2.076 12.089 1.00 0.00 O ATOM 0 H GLU A 41 0.604 3.306 8.235 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.522 0.976 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.542 3.343 8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.347 1.865 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.391 3.037 9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.003 1.347 9.974 1.00 0.00 H new ATOM 631 N LEU A 42 -0.062 1.138 6.338 1.00 0.00 N ATOM 632 CA LEU A 42 0.157 0.332 5.149 1.00 0.00 C ATOM 633 C LEU A 42 1.096 -0.827 5.490 1.00 0.00 C ATOM 634 O LEU A 42 0.877 -1.957 5.054 1.00 0.00 O ATOM 635 CB LEU A 42 0.652 1.205 3.994 1.00 0.00 C ATOM 636 CG LEU A 42 1.182 0.458 2.769 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.399 1.415 1.595 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.451 -0.326 3.110 1.00 0.00 C ATOM 0 H LEU A 42 -0.076 2.145 6.174 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.781 -0.107 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.167 1.850 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.443 1.855 4.369 1.00 0.00 H new ATOM 0 HG LEU A 42 0.429 -0.267 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.776 0.859 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.453 1.889 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.122 2.180 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.806 -0.848 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.221 0.362 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.231 -1.052 3.893 1.00 0.00 H new ATOM 650 N VAL A 43 2.122 -0.508 6.265 1.00 0.00 N ATOM 651 CA VAL A 43 3.095 -1.509 6.669 1.00 0.00 C ATOM 652 C VAL A 43 2.362 -2.726 7.238 1.00 0.00 C ATOM 653 O VAL A 43 2.429 -3.816 6.672 1.00 0.00 O ATOM 654 CB VAL A 43 4.095 -0.899 7.653 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.206 -1.895 7.993 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.677 0.405 7.106 1.00 0.00 C ATOM 0 H VAL A 43 2.301 0.430 6.624 1.00 0.00 H new ATOM 0 HA VAL A 43 3.672 -1.850 5.809 1.00 0.00 H new ATOM 0 HB VAL A 43 3.560 -0.666 8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.904 -1.437 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.770 -2.786 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.737 -2.173 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.385 0.817 7.825 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.190 0.208 6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.872 1.120 6.938 1.00 0.00 H new ATOM 666 N MET A 44 1.679 -2.498 8.350 1.00 0.00 N ATOM 667 CA MET A 44 0.934 -3.562 9.002 1.00 0.00 C ATOM 668 C MET A 44 0.135 -4.376 7.982 1.00 0.00 C ATOM 669 O MET A 44 0.280 -5.595 7.905 1.00 0.00 O ATOM 670 CB MET A 44 -0.019 -2.959 10.035 1.00 0.00 C ATOM 671 CG MET A 44 0.753 -2.379 11.221 1.00 0.00 C ATOM 672 SD MET A 44 1.391 -3.698 12.240 1.00 0.00 S ATOM 673 CE MET A 44 2.273 -2.746 13.465 1.00 0.00 C ATOM 0 H MET A 44 1.626 -1.592 8.816 1.00 0.00 H new ATOM 0 HA MET A 44 1.643 -4.228 9.495 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.618 -2.177 9.569 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.711 -3.724 10.386 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.573 -1.757 10.862 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.100 -1.736 11.811 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.736 -3.420 14.186 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.045 -2.151 12.977 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.578 -2.085 13.982 1.00 0.00 H new ATOM 683 N ALA A 45 -0.692 -3.669 7.226 1.00 0.00 N ATOM 684 CA ALA A 45 -1.515 -4.310 6.215 1.00 0.00 C ATOM 685 C ALA A 45 -0.618 -5.100 5.259 1.00 0.00 C ATOM 686 O ALA A 45 -0.637 -6.329 5.257 1.00 0.00 O ATOM 687 CB ALA A 45 -2.350 -3.253 5.490 1.00 0.00 C ATOM 0 H ALA A 45 -0.810 -2.658 7.294 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.208 -5.014 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.967 -3.734 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.991 -2.740 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.688 -2.530 5.014 1.00 0.00 H new ATOM 693 N LEU A 46 0.148 -4.360 4.470 1.00 0.00 N ATOM 694 CA LEU A 46 1.050 -4.975 3.512 1.00 0.00 C ATOM 695 C LEU A 46 1.864 -6.065 4.212 1.00 0.00 C ATOM 696 O LEU A 46 2.351 -6.992 3.566 1.00 0.00 O ATOM 697 CB LEU A 46 1.909 -3.911 2.825 1.00 0.00 C ATOM 698 CG LEU A 46 1.169 -2.954 1.888 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.153 -2.164 1.022 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.135 -3.702 1.045 1.00 0.00 C ATOM 0 H LEU A 46 0.162 -3.340 4.475 1.00 0.00 H new ATOM 0 HA LEU A 46 0.486 -5.460 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.407 -3.322 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.690 -4.415 2.255 1.00 0.00 H new ATOM 0 HG LEU A 46 0.625 -2.232 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.601 -1.491 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.816 -1.583 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.744 -2.855 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.376 -2.999 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.636 -4.461 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.592 -4.180 1.701 1.00 0.00 H new ATOM 712 N GLU A 47 1.988 -5.917 5.522 1.00 0.00 N ATOM 713 CA GLU A 47 2.735 -6.877 6.317 1.00 0.00 C ATOM 714 C GLU A 47 1.906 -8.145 6.535 1.00 0.00 C ATOM 715 O GLU A 47 2.355 -9.246 6.223 1.00 0.00 O ATOM 716 CB GLU A 47 3.166 -6.267 7.652 1.00 0.00 C ATOM 717 CG GLU A 47 4.530 -5.585 7.528 1.00 0.00 C ATOM 718 CD GLU A 47 5.590 -6.326 8.345 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.085 -7.377 7.910 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.897 -5.773 9.469 1.00 0.00 O ATOM 0 H GLU A 47 1.584 -5.146 6.054 1.00 0.00 H new ATOM 0 HA GLU A 47 3.639 -7.147 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.422 -5.542 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.212 -7.045 8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.830 -5.552 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.457 -4.553 7.871 1.00 0.00 H new ATOM 728 N GLU A 48 0.710 -7.946 7.071 1.00 0.00 N ATOM 729 CA GLU A 48 -0.186 -9.059 7.335 1.00 0.00 C ATOM 730 C GLU A 48 -0.246 -9.991 6.123 1.00 0.00 C ATOM 731 O GLU A 48 -0.395 -11.203 6.274 1.00 0.00 O ATOM 732 CB GLU A 48 -1.582 -8.561 7.714 1.00 0.00 C ATOM 733 CG GLU A 48 -1.936 -8.959 9.148 1.00 0.00 C ATOM 734 CD GLU A 48 -2.942 -10.111 9.166 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.920 -10.092 8.403 1.00 0.00 O ATOM 736 OE2 GLU A 48 -2.680 -11.051 10.009 1.00 0.00 O ATOM 0 H GLU A 48 0.341 -7.031 7.329 1.00 0.00 H new ATOM 0 HA GLU A 48 0.205 -9.622 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.625 -7.477 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.319 -8.975 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.032 -9.253 9.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.352 -8.100 9.675 1.00 0.00 H new ATOM 744 N GLU A 49 -0.126 -9.390 4.948 1.00 0.00 N ATOM 745 CA GLU A 49 -0.165 -10.152 3.711 1.00 0.00 C ATOM 746 C GLU A 49 0.876 -11.272 3.744 1.00 0.00 C ATOM 747 O GLU A 49 0.578 -12.389 4.165 1.00 0.00 O ATOM 748 CB GLU A 49 0.048 -9.241 2.500 1.00 0.00 C ATOM 749 CG GLU A 49 0.133 -10.057 1.209 1.00 0.00 C ATOM 750 CD GLU A 49 -1.253 -10.528 0.765 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.191 -9.718 0.698 1.00 0.00 O ATOM 752 OE2 GLU A 49 -1.338 -11.783 0.483 1.00 0.00 O ATOM 0 H GLU A 49 -0.002 -8.385 4.826 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.152 -10.604 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.772 -8.526 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.964 -8.664 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.585 -9.453 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.782 -10.919 1.362 1.00 0.00 H new ATOM 760 N PHE A 50 2.076 -10.935 3.296 1.00 0.00 N ATOM 761 CA PHE A 50 3.163 -11.899 3.269 1.00 0.00 C ATOM 762 C PHE A 50 4.253 -11.524 4.275 1.00 0.00 C ATOM 763 O PHE A 50 5.442 -11.631 3.977 1.00 0.00 O ATOM 764 CB PHE A 50 3.755 -11.866 1.858 1.00 0.00 C ATOM 765 CG PHE A 50 3.069 -12.813 0.873 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.772 -13.173 1.067 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.755 -13.296 -0.197 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.134 -14.053 0.152 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.118 -14.176 -1.112 1.00 0.00 C ATOM 770 CZ PHE A 50 1.821 -14.535 -0.918 1.00 0.00 C ATOM 0 H PHE A 50 2.320 -10.008 2.949 1.00 0.00 H new ATOM 0 HA PHE A 50 2.789 -12.889 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.691 -10.849 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.813 -12.120 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.227 -12.790 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.785 -13.010 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.104 -14.339 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.664 -14.560 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.336 -15.203 -1.614 1.00 0.00 H new ATOM 780 N ASP A 51 3.809 -11.093 5.447 1.00 0.00 N ATOM 781 CA ASP A 51 4.731 -10.703 6.499 1.00 0.00 C ATOM 782 C ASP A 51 5.939 -9.999 5.878 1.00 0.00 C ATOM 783 O ASP A 51 7.071 -10.458 6.020 1.00 0.00 O ATOM 784 CB ASP A 51 5.240 -11.924 7.267 1.00 0.00 C ATOM 785 CG ASP A 51 4.379 -12.342 8.461 1.00 0.00 C ATOM 786 OD1 ASP A 51 3.519 -11.580 8.926 1.00 0.00 O ATOM 787 OD2 ASP A 51 4.623 -13.522 8.923 1.00 0.00 O ATOM 0 H ASP A 51 2.822 -11.006 5.691 1.00 0.00 H new ATOM 0 HA ASP A 51 4.200 -10.042 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.311 -12.765 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.250 -11.717 7.621 1.00 0.00 H new ATOM 793 N THR A 52 5.656 -8.895 5.201 1.00 0.00 N ATOM 794 CA THR A 52 6.706 -8.123 4.557 1.00 0.00 C ATOM 795 C THR A 52 6.689 -6.678 5.058 1.00 0.00 C ATOM 796 O THR A 52 5.898 -5.862 4.587 1.00 0.00 O ATOM 797 CB THR A 52 6.519 -8.243 3.043 1.00 0.00 C ATOM 798 OG1 THR A 52 7.577 -9.104 2.630 1.00 0.00 O ATOM 799 CG2 THR A 52 6.802 -6.929 2.312 1.00 0.00 C ATOM 0 H THR A 52 4.716 -8.517 5.085 1.00 0.00 H new ATOM 0 HA THR A 52 7.693 -8.510 4.809 1.00 0.00 H new ATOM 0 HB THR A 52 5.501 -8.566 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.530 -9.238 1.660 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.655 -7.069 1.241 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.122 -6.158 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.831 -6.623 2.500 1.00 0.00 H new ATOM 807 N GLU A 53 7.571 -6.405 6.009 1.00 0.00 N ATOM 808 CA GLU A 53 7.667 -5.072 6.579 1.00 0.00 C ATOM 809 C GLU A 53 8.167 -4.079 5.528 1.00 0.00 C ATOM 810 O GLU A 53 8.975 -4.432 4.670 1.00 0.00 O ATOM 811 CB GLU A 53 8.573 -5.068 7.812 1.00 0.00 C ATOM 812 CG GLU A 53 9.997 -5.495 7.448 1.00 0.00 C ATOM 813 CD GLU A 53 10.859 -5.654 8.701 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.501 -5.138 9.770 1.00 0.00 O ATOM 815 OE2 GLU A 53 11.937 -6.344 8.538 1.00 0.00 O ATOM 0 H GLU A 53 8.225 -7.084 6.399 1.00 0.00 H new ATOM 0 HA GLU A 53 6.672 -4.762 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.590 -4.071 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.169 -5.743 8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.969 -6.437 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.445 -4.754 6.786 1.00 0.00 H new ATOM 823 N ILE A 54 7.666 -2.857 5.629 1.00 0.00 N ATOM 824 CA ILE A 54 8.051 -1.810 4.698 1.00 0.00 C ATOM 825 C ILE A 54 8.469 -0.565 5.482 1.00 0.00 C ATOM 826 O ILE A 54 7.627 0.254 5.848 1.00 0.00 O ATOM 827 CB ILE A 54 6.932 -1.554 3.687 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.147 -0.228 2.955 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.559 -1.623 4.359 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.630 0.001 2.658 1.00 0.00 C ATOM 0 H ILE A 54 6.996 -2.568 6.342 1.00 0.00 H new ATOM 0 HA ILE A 54 8.914 -2.121 4.110 1.00 0.00 H new ATOM 0 HB ILE A 54 6.962 -2.344 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.582 -0.227 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.763 0.592 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.781 -1.437 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.416 -2.612 4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.500 -0.869 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.754 0.950 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.189 0.024 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.005 -0.808 2.031 1.00 0.00 H new ATOM 842 N PRO A 55 9.803 -0.457 5.722 1.00 0.00 N ATOM 843 CA PRO A 55 10.343 0.675 6.455 1.00 0.00 C ATOM 844 C PRO A 55 10.363 1.933 5.584 1.00 0.00 C ATOM 845 O PRO A 55 10.589 1.854 4.378 1.00 0.00 O ATOM 846 CB PRO A 55 11.730 0.234 6.895 1.00 0.00 C ATOM 847 CG PRO A 55 12.096 -0.940 6.002 1.00 0.00 C ATOM 848 CD PRO A 55 10.830 -1.407 5.303 1.00 0.00 C ATOM 0 HA PRO A 55 9.734 0.947 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.450 1.045 6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.732 -0.058 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.848 -0.643 5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.527 -1.749 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.952 -1.406 4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.570 -2.425 5.593 1.00 0.00 H new ATOM 856 N ASP A 56 10.124 3.065 6.230 1.00 0.00 N ATOM 857 CA ASP A 56 10.112 4.338 5.530 1.00 0.00 C ATOM 858 C ASP A 56 11.216 4.343 4.470 1.00 0.00 C ATOM 859 O ASP A 56 10.952 4.590 3.295 1.00 0.00 O ATOM 860 CB ASP A 56 10.375 5.498 6.492 1.00 0.00 C ATOM 861 CG ASP A 56 11.531 5.278 7.470 1.00 0.00 C ATOM 862 OD1 ASP A 56 12.632 5.820 7.289 1.00 0.00 O ATOM 863 OD2 ASP A 56 11.263 4.503 8.465 1.00 0.00 O ATOM 0 H ASP A 56 9.937 3.127 7.231 1.00 0.00 H new ATOM 0 HA ASP A 56 9.130 4.463 5.074 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.579 6.395 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.467 5.689 7.064 1.00 0.00 H new ATOM 869 N GLU A 57 12.430 4.066 4.925 1.00 0.00 N ATOM 870 CA GLU A 57 13.575 4.036 4.031 1.00 0.00 C ATOM 871 C GLU A 57 13.177 3.438 2.680 1.00 0.00 C ATOM 872 O GLU A 57 13.590 3.934 1.632 1.00 0.00 O ATOM 873 CB GLU A 57 14.736 3.258 4.654 1.00 0.00 C ATOM 874 CG GLU A 57 14.357 1.792 4.877 1.00 0.00 C ATOM 875 CD GLU A 57 15.149 1.193 6.041 1.00 0.00 C ATOM 876 OE1 GLU A 57 14.868 1.506 7.207 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.084 0.373 5.699 1.00 0.00 O ATOM 0 H GLU A 57 12.645 3.861 5.901 1.00 0.00 H new ATOM 0 HA GLU A 57 13.912 5.060 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.608 3.317 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.016 3.714 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.289 1.716 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.549 1.221 3.969 1.00 0.00 H new ATOM 885 N GLU A 58 12.379 2.383 2.747 1.00 0.00 N ATOM 886 CA GLU A 58 11.921 1.713 1.542 1.00 0.00 C ATOM 887 C GLU A 58 10.507 2.174 1.182 1.00 0.00 C ATOM 888 O GLU A 58 10.100 2.096 0.024 1.00 0.00 O ATOM 889 CB GLU A 58 11.977 0.192 1.705 1.00 0.00 C ATOM 890 CG GLU A 58 13.058 -0.416 0.809 1.00 0.00 C ATOM 891 CD GLU A 58 13.869 -1.469 1.567 1.00 0.00 C ATOM 892 OE1 GLU A 58 15.108 -1.453 1.517 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.166 -2.327 2.226 1.00 0.00 O ATOM 0 H GLU A 58 12.038 1.975 3.617 1.00 0.00 H new ATOM 0 HA GLU A 58 12.589 1.983 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.179 -0.059 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.008 -0.240 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.596 -0.869 -0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.722 0.370 0.449 1.00 0.00 H new ATOM 901 N ALA A 59 9.798 2.646 2.197 1.00 0.00 N ATOM 902 CA ALA A 59 8.438 3.120 2.003 1.00 0.00 C ATOM 903 C ALA A 59 8.457 4.355 1.100 1.00 0.00 C ATOM 904 O ALA A 59 7.524 4.581 0.331 1.00 0.00 O ATOM 905 CB ALA A 59 7.796 3.402 3.363 1.00 0.00 C ATOM 0 H ALA A 59 10.140 2.710 3.156 1.00 0.00 H new ATOM 0 HA ALA A 59 7.834 2.359 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.776 3.758 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.780 2.487 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.374 4.163 3.887 1.00 0.00 H new ATOM 911 N GLU A 60 9.531 5.122 1.222 1.00 0.00 N ATOM 912 CA GLU A 60 9.684 6.328 0.427 1.00 0.00 C ATOM 913 C GLU A 60 9.600 5.994 -1.064 1.00 0.00 C ATOM 914 O GLU A 60 9.384 6.880 -1.891 1.00 0.00 O ATOM 915 CB GLU A 60 10.998 7.039 0.756 1.00 0.00 C ATOM 916 CG GLU A 60 10.762 8.524 1.038 1.00 0.00 C ATOM 917 CD GLU A 60 11.186 8.885 2.464 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.299 8.538 2.886 1.00 0.00 O ATOM 919 OE2 GLU A 60 10.312 9.551 3.140 1.00 0.00 O ATOM 0 H GLU A 60 10.304 4.931 1.860 1.00 0.00 H new ATOM 0 HA GLU A 60 8.869 7.009 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.462 6.570 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.693 6.929 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.323 9.127 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.708 8.762 0.897 1.00 0.00 H new ATOM 927 N LYS A 61 9.774 4.715 -1.363 1.00 0.00 N ATOM 928 CA LYS A 61 9.720 4.254 -2.740 1.00 0.00 C ATOM 929 C LYS A 61 8.298 3.792 -3.063 1.00 0.00 C ATOM 930 O LYS A 61 8.026 3.339 -4.174 1.00 0.00 O ATOM 931 CB LYS A 61 10.786 3.185 -2.989 1.00 0.00 C ATOM 932 CG LYS A 61 12.126 3.823 -3.361 1.00 0.00 C ATOM 933 CD LYS A 61 13.026 2.822 -4.089 1.00 0.00 C ATOM 934 CE LYS A 61 14.315 3.491 -4.568 1.00 0.00 C ATOM 935 NZ LYS A 61 15.193 2.506 -5.238 1.00 0.00 N ATOM 0 H LYS A 61 9.953 3.983 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 61 9.954 5.069 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.907 2.572 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.460 2.521 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.955 4.693 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.626 4.179 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.268 1.994 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.492 2.401 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.077 4.302 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.837 3.935 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.064 2.977 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.435 1.746 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.698 2.101 -6.058 1.00 0.00 H new ATOM 948 N ILE A 62 7.428 3.923 -2.072 1.00 0.00 N ATOM 949 CA ILE A 62 6.041 3.524 -2.237 1.00 0.00 C ATOM 950 C ILE A 62 5.144 4.760 -2.137 1.00 0.00 C ATOM 951 O ILE A 62 3.942 4.642 -1.905 1.00 0.00 O ATOM 952 CB ILE A 62 5.679 2.419 -1.243 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.325 3.007 0.125 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.797 1.379 -1.147 1.00 0.00 C ATOM 955 CD1 ILE A 62 3.910 2.605 0.545 1.00 0.00 C ATOM 0 H ILE A 62 7.657 4.300 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 62 5.883 3.094 -3.226 1.00 0.00 H new ATOM 0 HB ILE A 62 4.792 1.905 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.041 2.661 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.403 4.094 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.514 0.605 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.960 0.928 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.715 1.862 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.684 3.036 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.194 2.974 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.843 1.519 0.604 1.00 0.00 H new ATOM 967 N THR A 63 5.764 5.917 -2.317 1.00 0.00 N ATOM 968 CA THR A 63 5.037 7.173 -2.250 1.00 0.00 C ATOM 969 C THR A 63 3.616 6.997 -2.789 1.00 0.00 C ATOM 970 O THR A 63 2.677 7.616 -2.290 1.00 0.00 O ATOM 971 CB THR A 63 5.846 8.229 -3.005 1.00 0.00 C ATOM 972 OG1 THR A 63 5.918 7.725 -4.336 1.00 0.00 O ATOM 973 CG2 THR A 63 7.305 8.285 -2.548 1.00 0.00 C ATOM 0 H THR A 63 6.761 6.011 -2.509 1.00 0.00 H new ATOM 0 HA THR A 63 4.921 7.507 -1.219 1.00 0.00 H new ATOM 0 HB THR A 63 5.385 9.207 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.425 8.350 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.835 9.050 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.345 8.528 -1.486 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.777 7.317 -2.717 1.00 0.00 H new ATOM 981 N THR A 64 3.502 6.149 -3.801 1.00 0.00 N ATOM 982 CA THR A 64 2.212 5.884 -4.413 1.00 0.00 C ATOM 983 C THR A 64 1.691 4.510 -3.986 1.00 0.00 C ATOM 984 O THR A 64 2.456 3.673 -3.510 1.00 0.00 O ATOM 985 CB THR A 64 2.368 6.029 -5.928 1.00 0.00 C ATOM 986 OG1 THR A 64 3.674 5.524 -6.193 1.00 0.00 O ATOM 987 CG2 THR A 64 2.437 7.492 -6.372 1.00 0.00 C ATOM 0 H THR A 64 4.282 5.637 -4.212 1.00 0.00 H new ATOM 0 HA THR A 64 1.462 6.601 -4.078 1.00 0.00 H new ATOM 0 HB THR A 64 1.533 5.537 -6.427 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.857 5.579 -7.154 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.548 7.539 -7.455 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.521 8.005 -6.078 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.291 7.976 -5.899 1.00 0.00 H new ATOM 995 N VAL A 65 0.393 4.321 -4.170 1.00 0.00 N ATOM 996 CA VAL A 65 -0.239 3.063 -3.810 1.00 0.00 C ATOM 997 C VAL A 65 0.246 1.963 -4.756 1.00 0.00 C ATOM 998 O VAL A 65 0.687 0.905 -4.310 1.00 0.00 O ATOM 999 CB VAL A 65 -1.761 3.223 -3.809 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.455 1.863 -3.715 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.214 4.150 -2.679 1.00 0.00 C ATOM 0 H VAL A 65 -0.239 5.018 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 65 0.044 2.770 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.051 3.682 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.536 2.005 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.169 1.249 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.156 1.365 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.299 4.247 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.906 3.733 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.760 5.132 -2.810 1.00 0.00 H new ATOM 1011 N GLN A 66 0.149 2.251 -6.046 1.00 0.00 N ATOM 1012 CA GLN A 66 0.572 1.300 -7.059 1.00 0.00 C ATOM 1013 C GLN A 66 1.890 0.640 -6.650 1.00 0.00 C ATOM 1014 O GLN A 66 1.984 -0.585 -6.594 1.00 0.00 O ATOM 1015 CB GLN A 66 0.699 1.975 -8.426 1.00 0.00 C ATOM 1016 CG GLN A 66 1.302 1.018 -9.456 1.00 0.00 C ATOM 1017 CD GLN A 66 0.833 -0.417 -9.212 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.326 -0.681 -8.939 1.00 0.00 O ATOM 1019 NE2 GLN A 66 1.797 -1.328 -9.325 1.00 0.00 N ATOM 0 H GLN A 66 -0.217 3.130 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.190 0.525 -7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.283 2.307 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.324 2.864 -8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.016 1.332 -10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.390 1.062 -9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.747 -1.039 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.585 -2.315 -9.180 1.00 0.00 H new ATOM 1028 N ALA A 67 2.876 1.481 -6.373 1.00 0.00 N ATOM 1029 CA ALA A 67 4.184 0.994 -5.970 1.00 0.00 C ATOM 1030 C ALA A 67 4.012 -0.132 -4.948 1.00 0.00 C ATOM 1031 O ALA A 67 4.621 -1.193 -5.081 1.00 0.00 O ATOM 1032 CB ALA A 67 5.015 2.157 -5.422 1.00 0.00 C ATOM 0 H ALA A 67 2.795 2.497 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 67 4.721 0.584 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.997 1.792 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.133 2.916 -6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.508 2.592 -4.561 1.00 0.00 H new ATOM 1038 N ALA A 68 3.180 0.137 -3.953 1.00 0.00 N ATOM 1039 CA ALA A 68 2.921 -0.841 -2.910 1.00 0.00 C ATOM 1040 C ALA A 68 2.827 -2.234 -3.535 1.00 0.00 C ATOM 1041 O ALA A 68 3.202 -3.225 -2.910 1.00 0.00 O ATOM 1042 CB ALA A 68 1.648 -0.454 -2.153 1.00 0.00 C ATOM 0 H ALA A 68 2.677 1.018 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 68 3.738 -0.858 -2.188 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.453 -1.187 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.777 0.531 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.806 -0.430 -2.845 1.00 0.00 H new ATOM 1048 N ILE A 69 2.325 -2.265 -4.760 1.00 0.00 N ATOM 1049 CA ILE A 69 2.177 -3.521 -5.476 1.00 0.00 C ATOM 1050 C ILE A 69 3.516 -3.902 -6.111 1.00 0.00 C ATOM 1051 O ILE A 69 3.978 -5.032 -5.964 1.00 0.00 O ATOM 1052 CB ILE A 69 1.024 -3.434 -6.478 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.289 -3.083 -5.774 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.909 -4.722 -7.296 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -1.413 -2.863 -6.788 1.00 0.00 C ATOM 0 H ILE A 69 2.015 -1.441 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 69 1.911 -4.323 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 69 1.240 -2.627 -7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.564 -3.885 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.155 -2.183 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.082 -4.633 -8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.836 -4.889 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.727 -5.563 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.335 -2.615 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.145 -2.044 -7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.561 -3.773 -7.370 1.00 0.00 H new ATOM 1067 N ASP A 70 4.101 -2.936 -6.804 1.00 0.00 N ATOM 1068 CA ASP A 70 5.378 -3.156 -7.463 1.00 0.00 C ATOM 1069 C ASP A 70 6.442 -3.472 -6.410 1.00 0.00 C ATOM 1070 O ASP A 70 7.529 -3.941 -6.742 1.00 0.00 O ATOM 1071 CB ASP A 70 5.826 -1.908 -8.227 1.00 0.00 C ATOM 1072 CG ASP A 70 6.347 -2.168 -9.642 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.334 -3.310 -10.127 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.785 -1.126 -10.262 1.00 0.00 O ATOM 0 H ASP A 70 3.715 -2.000 -6.924 1.00 0.00 H new ATOM 0 HA ASP A 70 5.259 -3.984 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.986 -1.216 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.608 -1.411 -7.654 1.00 0.00 H new ATOM 1080 N TYR A 71 6.091 -3.202 -5.161 1.00 0.00 N ATOM 1081 CA TYR A 71 7.003 -3.452 -4.057 1.00 0.00 C ATOM 1082 C TYR A 71 6.844 -4.879 -3.528 1.00 0.00 C ATOM 1083 O TYR A 71 7.817 -5.628 -3.452 1.00 0.00 O ATOM 1084 CB TYR A 71 6.611 -2.466 -2.955 1.00 0.00 C ATOM 1085 CG TYR A 71 6.931 -2.954 -1.541 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.208 -3.376 -1.229 1.00 0.00 C ATOM 1087 CD2 TYR A 71 5.944 -2.971 -0.577 1.00 0.00 C ATOM 1088 CE1 TYR A 71 8.509 -3.835 0.102 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.245 -3.430 0.755 1.00 0.00 C ATOM 1090 CZ TYR A 71 7.513 -3.839 1.028 1.00 0.00 C ATOM 1091 OH TYR A 71 7.798 -4.273 2.285 1.00 0.00 O ATOM 0 H TYR A 71 5.188 -2.813 -4.889 1.00 0.00 H new ATOM 0 HA TYR A 71 8.037 -3.330 -4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.126 -1.521 -3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.542 -2.264 -3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.981 -3.362 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 71 4.945 -2.640 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.503 -4.169 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.482 -3.449 1.519 1.00 0.00 H new ATOM 0 HH TYR A 71 8.514 -3.723 2.666 1.00 0.00 H new ATOM 1101 N ILE A 72 5.611 -5.212 -3.175 1.00 0.00 N ATOM 1102 CA ILE A 72 5.313 -6.536 -2.655 1.00 0.00 C ATOM 1103 C ILE A 72 5.570 -7.577 -3.746 1.00 0.00 C ATOM 1104 O ILE A 72 5.747 -8.758 -3.453 1.00 0.00 O ATOM 1105 CB ILE A 72 3.894 -6.580 -2.085 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.689 -5.482 -1.039 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.570 -7.968 -1.530 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.169 -5.942 0.340 1.00 0.00 C ATOM 0 H ILE A 72 4.807 -4.588 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 72 5.974 -6.776 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 72 3.193 -6.386 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.232 -4.585 -1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.634 -5.214 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.556 -7.973 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.649 -8.706 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.274 -8.215 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.012 -5.143 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.607 -6.825 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.230 -6.186 0.293 1.00 0.00 H new ATOM 1120 N ASN A 73 5.583 -7.101 -4.983 1.00 0.00 N ATOM 1121 CA ASN A 73 5.815 -7.976 -6.119 1.00 0.00 C ATOM 1122 C ASN A 73 7.321 -8.145 -6.328 1.00 0.00 C ATOM 1123 O ASN A 73 7.778 -9.206 -6.751 1.00 0.00 O ATOM 1124 CB ASN A 73 5.223 -7.385 -7.400 1.00 0.00 C ATOM 1125 CG ASN A 73 3.827 -7.949 -7.671 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.659 -8.993 -8.280 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.839 -7.204 -7.186 1.00 0.00 N ATOM 0 H ASN A 73 5.437 -6.120 -5.223 1.00 0.00 H new ATOM 0 HA ASN A 73 5.338 -8.933 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.170 -6.300 -7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.878 -7.606 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.870 -7.496 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.050 -6.341 -6.686 1.00 0.00 H new ATOM 1134 N GLY A 74 8.051 -7.083 -6.022 1.00 0.00 N ATOM 1135 CA GLY A 74 9.496 -7.100 -6.171 1.00 0.00 C ATOM 1136 C GLY A 74 10.173 -7.602 -4.894 1.00 0.00 C ATOM 1137 O GLY A 74 11.381 -7.442 -4.724 1.00 0.00 O ATOM 0 H GLY A 74 7.669 -6.205 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.771 -7.741 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.853 -6.097 -6.406 1.00 0.00 H new ATOM 1141 N HIS A 75 9.366 -8.198 -4.029 1.00 0.00 N ATOM 1142 CA HIS A 75 9.871 -8.724 -2.773 1.00 0.00 C ATOM 1143 C HIS A 75 9.671 -10.240 -2.734 1.00 0.00 C ATOM 1144 O HIS A 75 10.640 -10.996 -2.673 1.00 0.00 O ATOM 1145 CB HIS A 75 9.224 -8.009 -1.585 1.00 0.00 C ATOM 1146 CG HIS A 75 10.197 -7.620 -0.498 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.207 -6.694 -0.691 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.303 -8.041 0.796 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.885 -6.571 0.440 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.323 -7.407 1.361 1.00 0.00 N ATOM 0 H HIS A 75 8.365 -8.328 -4.174 1.00 0.00 H new ATOM 0 HA HIS A 75 10.941 -8.532 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.720 -7.112 -1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.458 -8.656 -1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.665 -8.767 1.278 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.733 -5.923 0.605 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.635 -7.525 2.325 1.00 0.00 H new