USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 232 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 1 SER OG : rot 10:sc= -0.86 USER MOD Set 1.2: A 52 THR OG1 : rot 150:sc= 0.914 USER MOD Set 1.3: A 71 TYR OH : rot 47:sc= 0.522 USER MOD Set 1.4: A 75 HIS : no HE2:sc= -0.829 K(o=-0.25,f=-5.2!) USER MOD Set 2.1: A 27 SER OG : rot 160:sc= -3.92! USER MOD Set 2.2: A 63 THR OG1 : rot 148:sc= 0.196 USER MOD Single : A 1 SER N :NH3+ -162:sc= 0.415 (180deg=-0.501) USER MOD Single : A 2 THR OG1 : rot -78:sc= 0.0905 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= 0.701 (180deg=0.22) USER MOD Single : A 14 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.68) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.81) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -116:sc= 0.0669 USER MOD Single : A 44 MET CE :methyl 145:sc= -0.219 (180deg=-2.22!) USER MOD Single : A 61 LYS NZ :NH3+ 137:sc= -0.573 (180deg=-2.63!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 66 GLN : amide:sc= -0.575 K(o=-0.58,f=-2.9!) USER MOD Single : A 73 ASN : amide:sc= -0.505 K(o=-0.5,f=-2.9) USER MOD Single : A 76 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.074) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.665 8.511 8.429 1.00 0.00 N ATOM 2 CA SER A 1 3.739 7.162 7.841 1.00 0.00 C ATOM 3 C SER A 1 4.652 6.296 8.707 1.00 0.00 C ATOM 4 O SER A 1 5.815 6.087 8.368 1.00 0.00 O ATOM 5 CB SER A 1 4.284 7.250 6.409 1.00 0.00 C ATOM 6 OG SER A 1 3.423 8.026 5.581 1.00 0.00 O ATOM 0 H1 SER A 1 2.836 9.011 8.048 1.00 0.00 H new ATOM 0 H2 SER A 1 3.579 8.435 9.463 1.00 0.00 H new ATOM 0 H3 SER A 1 4.528 9.041 8.192 1.00 0.00 H new ATOM 0 HA SER A 1 2.745 6.715 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.279 7.694 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.388 6.248 5.993 1.00 0.00 H new ATOM 0 HG SER A 1 2.753 8.476 6.137 1.00 0.00 H new ATOM 12 N THR A 2 4.128 5.792 9.834 1.00 0.00 N ATOM 13 CA THR A 2 4.886 4.946 10.759 1.00 0.00 C ATOM 14 C THR A 2 5.365 3.673 10.047 1.00 0.00 C ATOM 15 O THR A 2 6.501 3.257 10.266 1.00 0.00 O ATOM 16 CB THR A 2 4.038 4.602 12.005 1.00 0.00 C ATOM 17 OG1 THR A 2 4.823 3.819 12.905 1.00 0.00 O ATOM 18 CG2 THR A 2 2.745 3.829 11.712 1.00 0.00 C ATOM 0 H THR A 2 3.166 5.961 10.127 1.00 0.00 H new ATOM 0 HA THR A 2 5.764 5.498 11.096 1.00 0.00 H new ATOM 0 HB THR A 2 3.742 5.562 12.429 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.864 2.894 12.584 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.218 3.633 12.646 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.109 4.420 11.054 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.988 2.883 11.228 1.00 0.00 H new ATOM 23 N ILE A 3 4.507 3.105 9.183 1.00 0.00 N ATOM 24 CA ILE A 3 4.790 2.252 8.031 1.00 0.00 C ATOM 25 C ILE A 3 4.266 0.853 8.347 1.00 0.00 C ATOM 26 O ILE A 3 3.343 0.360 7.699 1.00 0.00 O ATOM 27 CB ILE A 3 6.278 2.164 7.589 1.00 0.00 C ATOM 28 CG1 ILE A 3 6.961 3.524 7.404 1.00 0.00 C ATOM 29 CG2 ILE A 3 6.344 1.408 6.255 1.00 0.00 C ATOM 30 CD1 ILE A 3 8.473 3.420 7.207 1.00 0.00 C ATOM 0 H ILE A 3 3.503 3.250 9.290 1.00 0.00 H new ATOM 0 HA ILE A 3 4.288 2.716 7.182 1.00 0.00 H new ATOM 0 HB ILE A 3 6.810 1.652 8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.523 4.028 6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.757 4.147 8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.381 1.336 5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.934 0.406 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.764 1.944 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 3 8.893 4.418 7.082 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.922 2.944 8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 3 8.684 2.824 6.319 1.00 0.00 H new ATOM 34 N GLU A 4 4.929 0.192 9.304 1.00 0.00 N ATOM 35 CA GLU A 4 4.969 -1.253 9.377 1.00 0.00 C ATOM 36 C GLU A 4 3.724 -1.776 10.063 1.00 0.00 C ATOM 37 O GLU A 4 3.109 -2.704 9.555 1.00 0.00 O ATOM 38 CB GLU A 4 6.235 -1.728 10.121 1.00 0.00 C ATOM 39 CG GLU A 4 6.372 -1.341 11.605 1.00 0.00 C ATOM 40 CD GLU A 4 6.517 0.154 11.876 1.00 0.00 C ATOM 41 OE1 GLU A 4 7.655 0.649 11.732 1.00 0.00 O ATOM 42 OE2 GLU A 4 5.486 0.779 12.209 1.00 0.00 O ATOM 0 H GLU A 4 5.451 0.657 10.047 1.00 0.00 H new ATOM 0 HA GLU A 4 5.003 -1.649 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.279 -2.815 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.104 -1.339 9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.497 -1.708 12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.239 -1.855 12.019 1.00 0.00 H new ATOM 45 N GLU A 5 3.350 -1.182 11.199 1.00 0.00 N ATOM 46 CA GLU A 5 2.212 -1.636 11.981 1.00 0.00 C ATOM 47 C GLU A 5 0.971 -1.727 11.106 1.00 0.00 C ATOM 48 O GLU A 5 0.383 -2.806 11.004 1.00 0.00 O ATOM 49 CB GLU A 5 1.952 -0.667 13.137 1.00 0.00 C ATOM 50 CG GLU A 5 3.119 -0.518 14.107 1.00 0.00 C ATOM 51 CD GLU A 5 2.869 0.593 15.114 1.00 0.00 C ATOM 52 OE1 GLU A 5 3.238 1.742 14.788 1.00 0.00 O ATOM 53 OE2 GLU A 5 2.308 0.277 16.186 1.00 0.00 O ATOM 0 H GLU A 5 3.831 -0.375 11.597 1.00 0.00 H new ATOM 0 HA GLU A 5 2.438 -2.625 12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.709 0.313 12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.076 -1.007 13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.278 -1.459 14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.032 -0.307 13.550 1.00 0.00 H new ATOM 56 N ARG A 6 0.592 -0.586 10.517 1.00 0.00 N ATOM 57 CA ARG A 6 -0.496 -0.460 9.566 1.00 0.00 C ATOM 58 C ARG A 6 -0.232 -0.993 8.156 1.00 0.00 C ATOM 59 O ARG A 6 -1.151 -1.619 7.635 1.00 0.00 O ATOM 60 CB ARG A 6 -1.144 0.924 9.616 1.00 0.00 C ATOM 61 CG ARG A 6 -2.123 1.076 10.782 1.00 0.00 C ATOM 62 CD ARG A 6 -1.515 0.917 12.171 1.00 0.00 C ATOM 63 NE ARG A 6 -2.568 0.866 13.190 1.00 0.00 N ATOM 64 CZ ARG A 6 -2.801 1.811 14.117 1.00 0.00 C ATOM 65 NH1 ARG A 6 -2.040 2.913 14.200 1.00 0.00 N ATOM 66 NH2 ARG A 6 -3.816 1.645 14.977 1.00 0.00 N ATOM 0 H ARG A 6 1.058 0.302 10.703 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.247 -1.168 9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.365 1.682 9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.670 1.109 8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.588 2.060 10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.918 0.339 10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.918 0.006 12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.841 1.749 12.377 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.174 0.045 13.196 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.265 3.048 13.551 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.237 3.616 14.912 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.399 0.810 14.922 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.005 2.354 15.686 1.00 0.00 H new ATOM 74 N VAL A 7 0.974 -0.835 7.564 1.00 0.00 N ATOM 75 CA VAL A 7 1.482 -1.732 6.500 1.00 0.00 C ATOM 76 C VAL A 7 1.058 -3.193 6.827 1.00 0.00 C ATOM 77 O VAL A 7 0.521 -3.942 5.986 1.00 0.00 O ATOM 78 CB VAL A 7 1.089 -1.390 5.049 1.00 0.00 C ATOM 79 CG1 VAL A 7 -0.288 -0.790 4.839 1.00 0.00 C ATOM 80 CG2 VAL A 7 2.104 -0.418 4.464 1.00 0.00 C ATOM 0 H VAL A 7 1.620 -0.085 7.809 1.00 0.00 H new ATOM 0 HA VAL A 7 2.563 -1.593 6.516 1.00 0.00 H new ATOM 0 HB VAL A 7 1.073 -2.359 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.442 -0.595 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.047 -1.487 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.366 0.145 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.827 -0.176 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.120 0.494 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.093 -0.875 4.474 1.00 0.00 H new ATOM 84 N LYS A 8 1.151 -3.554 8.120 1.00 0.00 N ATOM 85 CA LYS A 8 0.667 -4.817 8.553 1.00 0.00 C ATOM 86 C LYS A 8 -0.772 -4.520 8.979 1.00 0.00 C ATOM 87 O LYS A 8 -1.655 -4.391 8.127 1.00 0.00 O ATOM 88 CB LYS A 8 1.576 -5.382 9.674 1.00 0.00 C ATOM 89 CG LYS A 8 2.996 -5.678 9.193 1.00 0.00 C ATOM 90 CD LYS A 8 3.906 -6.206 10.294 1.00 0.00 C ATOM 91 CE LYS A 8 5.324 -6.463 9.791 1.00 0.00 C ATOM 92 NZ LYS A 8 6.176 -6.996 10.865 1.00 0.00 N ATOM 0 H LYS A 8 1.558 -2.974 8.854 1.00 0.00 H new ATOM 0 HA LYS A 8 0.682 -5.600 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.617 -4.668 10.496 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.133 -6.297 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.954 -6.408 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.429 -4.768 8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.937 -5.488 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.491 -7.131 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.297 -7.168 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.752 -5.536 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.135 -7.162 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.219 -6.311 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.778 -7.892 11.211 1.00 0.00 H new ATOM 98 N LYS A 9 -1.029 -4.791 10.246 1.00 0.00 N ATOM 99 CA LYS A 9 -1.493 -6.149 10.605 1.00 0.00 C ATOM 100 C LYS A 9 -1.006 -7.259 9.622 1.00 0.00 C ATOM 101 O LYS A 9 -0.346 -8.204 10.045 1.00 0.00 O ATOM 102 CB LYS A 9 -3.019 -6.124 10.646 1.00 0.00 C ATOM 103 CG LYS A 9 -3.684 -7.427 11.112 1.00 0.00 C ATOM 104 CD LYS A 9 -3.525 -7.755 12.604 1.00 0.00 C ATOM 105 CE LYS A 9 -2.109 -8.117 13.060 1.00 0.00 C ATOM 106 NZ LYS A 9 -1.625 -9.361 12.437 1.00 0.00 N ATOM 0 H LYS A 9 -0.935 -4.135 11.021 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.065 -6.405 11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.335 -5.317 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.389 -5.883 9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.748 -7.374 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.273 -8.252 10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.864 -6.896 13.183 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.188 -8.586 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.430 -7.301 12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.095 -8.226 14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.963 -9.838 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.431 -9.989 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.139 -9.136 11.546 1.00 0.00 H new ATOM 112 N ILE A 10 -1.283 -7.071 8.322 1.00 0.00 N ATOM 113 CA ILE A 10 -0.749 -7.659 7.096 1.00 0.00 C ATOM 114 C ILE A 10 -1.612 -7.063 5.973 1.00 0.00 C ATOM 115 O ILE A 10 -2.521 -7.788 5.566 1.00 0.00 O ATOM 116 CB ILE A 10 0.759 -7.397 6.904 1.00 0.00 C ATOM 117 CG1 ILE A 10 1.173 -7.538 5.428 1.00 0.00 C ATOM 118 CG2 ILE A 10 1.575 -8.395 7.741 1.00 0.00 C ATOM 119 CD1 ILE A 10 2.613 -7.116 5.125 1.00 0.00 C ATOM 0 H ILE A 10 -2.004 -6.392 8.078 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.806 -8.747 7.114 1.00 0.00 H new ATOM 0 HB ILE A 10 0.958 -6.376 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.042 -8.577 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.497 -6.940 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.639 -8.204 7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.322 -8.279 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.344 -9.411 7.422 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.815 -7.249 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.749 -6.068 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.302 -7.730 5.705 1.00 0.00 H new ATOM 123 N ILE A 11 -1.474 -5.793 5.504 1.00 0.00 N ATOM 124 CA ILE A 11 -2.576 -5.330 4.670 1.00 0.00 C ATOM 125 C ILE A 11 -3.912 -5.395 5.416 1.00 0.00 C ATOM 126 O ILE A 11 -4.932 -5.675 4.783 1.00 0.00 O ATOM 127 CB ILE A 11 -2.308 -3.913 4.144 1.00 0.00 C ATOM 128 CG1 ILE A 11 -2.510 -2.781 5.181 1.00 0.00 C ATOM 129 CG2 ILE A 11 -3.170 -3.618 2.929 1.00 0.00 C ATOM 130 CD1 ILE A 11 -3.929 -2.336 5.591 1.00 0.00 C ATOM 0 H ILE A 11 -0.701 -5.149 5.671 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.646 -6.002 3.815 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.249 -3.916 3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.992 -3.083 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.995 -1.900 4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.964 -2.609 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.944 -4.335 2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.222 -3.699 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.861 -1.534 6.326 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.466 -1.979 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.464 -3.181 6.025 1.00 0.00 H new ATOM 134 N GLY A 12 -3.846 -5.201 6.746 1.00 0.00 N ATOM 135 CA GLY A 12 -4.912 -5.472 7.687 1.00 0.00 C ATOM 136 C GLY A 12 -5.062 -6.995 7.836 1.00 0.00 C ATOM 137 O GLY A 12 -4.088 -7.723 7.677 1.00 0.00 O ATOM 0 H GLY A 12 -3.008 -4.836 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.688 -5.018 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.846 -5.033 7.337 1.00 0.00 H new ATOM 141 N GLU A 13 -6.295 -7.506 7.884 1.00 0.00 N ATOM 142 CA GLU A 13 -6.977 -7.864 6.632 1.00 0.00 C ATOM 143 C GLU A 13 -6.252 -8.732 5.587 1.00 0.00 C ATOM 144 O GLU A 13 -6.991 -9.526 5.012 1.00 0.00 O ATOM 145 CB GLU A 13 -7.436 -6.606 5.866 1.00 0.00 C ATOM 146 CG GLU A 13 -8.295 -5.648 6.690 1.00 0.00 C ATOM 147 CD GLU A 13 -8.600 -4.357 5.947 1.00 0.00 C ATOM 148 OE1 GLU A 13 -7.623 -3.655 5.603 1.00 0.00 O ATOM 149 OE2 GLU A 13 -9.804 -4.091 5.744 1.00 0.00 O ATOM 0 H GLU A 13 -6.826 -7.677 8.738 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.776 -8.485 7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.556 -6.071 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.000 -6.916 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.230 -6.140 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.781 -5.415 7.623 1.00 0.00 H new ATOM 152 N GLN A 14 -4.963 -8.548 5.185 1.00 0.00 N ATOM 153 CA GLN A 14 -4.452 -9.043 3.908 1.00 0.00 C ATOM 154 C GLN A 14 -5.409 -8.605 2.786 1.00 0.00 C ATOM 155 O GLN A 14 -5.733 -9.385 1.891 1.00 0.00 O ATOM 156 CB GLN A 14 -4.153 -10.563 3.880 1.00 0.00 C ATOM 157 CG GLN A 14 -5.211 -11.615 4.244 1.00 0.00 C ATOM 158 CD GLN A 14 -5.407 -11.859 5.742 1.00 0.00 C ATOM 159 OE1 GLN A 14 -6.522 -12.138 6.176 1.00 0.00 O ATOM 160 NE2 GLN A 14 -4.335 -11.778 6.536 1.00 0.00 N ATOM 0 H GLN A 14 -4.267 -8.054 5.744 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.472 -8.593 3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.814 -10.796 2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.306 -10.727 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.165 -11.309 3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.937 -12.559 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.424 -11.544 6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.428 -11.950 7.537 1.00 0.00 H new ATOM 165 N LEU A 15 -5.800 -7.317 2.792 1.00 0.00 N ATOM 166 CA LEU A 15 -6.722 -6.771 1.825 1.00 0.00 C ATOM 167 C LEU A 15 -5.938 -6.193 0.639 1.00 0.00 C ATOM 168 O LEU A 15 -6.315 -6.401 -0.512 1.00 0.00 O ATOM 169 CB LEU A 15 -7.502 -5.684 2.561 1.00 0.00 C ATOM 170 CG LEU A 15 -8.638 -5.072 1.748 1.00 0.00 C ATOM 171 CD1 LEU A 15 -9.719 -6.104 1.467 1.00 0.00 C ATOM 172 CD2 LEU A 15 -9.248 -3.887 2.479 1.00 0.00 C ATOM 0 H LEU A 15 -5.474 -6.637 3.478 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.400 -7.524 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.913 -6.105 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.812 -4.893 2.854 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.219 -4.729 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.519 -5.644 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.292 -6.934 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.122 -6.474 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.056 -3.467 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.642 -4.216 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.484 -3.127 2.641 1.00 0.00 H new ATOM 176 N GLY A 16 -4.823 -5.517 0.929 1.00 0.00 N ATOM 177 CA GLY A 16 -3.810 -5.112 -0.023 1.00 0.00 C ATOM 178 C GLY A 16 -2.574 -5.975 0.189 1.00 0.00 C ATOM 179 O GLY A 16 -1.609 -5.512 0.795 1.00 0.00 O ATOM 0 H GLY A 16 -4.601 -5.228 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.181 -5.225 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.564 -4.059 0.111 1.00 0.00 H new ATOM 183 N VAL A 17 -2.609 -7.237 -0.257 1.00 0.00 N ATOM 184 CA VAL A 17 -1.726 -8.229 0.333 1.00 0.00 C ATOM 185 C VAL A 17 -0.648 -8.686 -0.659 1.00 0.00 C ATOM 186 O VAL A 17 -0.931 -9.050 -1.799 1.00 0.00 O ATOM 187 CB VAL A 17 -2.561 -9.423 0.840 1.00 0.00 C ATOM 188 CG1 VAL A 17 -3.368 -10.134 -0.253 1.00 0.00 C ATOM 189 CG2 VAL A 17 -1.679 -10.467 1.528 1.00 0.00 C ATOM 0 H VAL A 17 -3.219 -7.580 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.206 -7.775 1.177 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.265 -8.980 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.926 -10.961 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.063 -9.429 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.689 -10.519 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.298 -11.295 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.937 -10.839 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.173 -10.012 2.380 1.00 0.00 H new ATOM 193 N LYS A 18 0.604 -8.658 -0.183 1.00 0.00 N ATOM 194 CA LYS A 18 1.782 -9.208 -0.829 1.00 0.00 C ATOM 195 C LYS A 18 1.840 -10.744 -0.734 1.00 0.00 C ATOM 196 O LYS A 18 2.839 -11.307 -0.284 1.00 0.00 O ATOM 197 CB LYS A 18 3.021 -8.547 -0.195 1.00 0.00 C ATOM 198 CG LYS A 18 3.114 -8.382 1.339 1.00 0.00 C ATOM 199 CD LYS A 18 3.061 -9.641 2.210 1.00 0.00 C ATOM 200 CE LYS A 18 1.652 -10.192 2.418 1.00 0.00 C ATOM 201 NZ LYS A 18 1.669 -11.433 3.206 1.00 0.00 N ATOM 0 H LYS A 18 0.824 -8.225 0.714 1.00 0.00 H new ATOM 0 HA LYS A 18 1.747 -8.988 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.892 -9.121 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.118 -7.554 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.046 -7.863 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.302 -7.726 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.679 -10.414 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.500 -9.417 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.040 -9.446 2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.188 -10.381 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.696 -11.780 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.233 -12.152 2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.090 -11.246 4.139 1.00 0.00 H new ATOM 207 N GLN A 19 0.792 -11.436 -1.214 1.00 0.00 N ATOM 208 CA GLN A 19 0.763 -12.891 -1.377 1.00 0.00 C ATOM 209 C GLN A 19 1.916 -13.431 -2.232 1.00 0.00 C ATOM 210 O GLN A 19 2.206 -14.625 -2.201 1.00 0.00 O ATOM 211 CB GLN A 19 -0.555 -13.291 -2.039 1.00 0.00 C ATOM 212 CG GLN A 19 -1.789 -12.927 -1.221 1.00 0.00 C ATOM 213 CD GLN A 19 -3.085 -13.284 -1.936 1.00 0.00 C ATOM 214 OE1 GLN A 19 -3.553 -12.532 -2.787 1.00 0.00 O ATOM 215 NE2 GLN A 19 -3.663 -14.436 -1.588 1.00 0.00 N ATOM 0 H GLN A 19 -0.075 -10.985 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 19 0.866 -13.321 -0.381 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.622 -12.809 -3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.551 -14.367 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.752 -13.444 -0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.778 -11.858 -1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.235 -15.026 -0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.533 -14.726 -2.035 1.00 0.00 H new ATOM 220 N GLU A 20 2.558 -12.547 -2.999 1.00 0.00 N ATOM 221 CA GLU A 20 3.401 -12.834 -4.127 1.00 0.00 C ATOM 222 C GLU A 20 4.856 -13.082 -3.728 1.00 0.00 C ATOM 223 O GLU A 20 5.432 -14.034 -4.242 1.00 0.00 O ATOM 224 CB GLU A 20 3.304 -11.593 -5.009 1.00 0.00 C ATOM 225 CG GLU A 20 1.883 -11.261 -5.482 1.00 0.00 C ATOM 226 CD GLU A 20 1.721 -9.843 -6.021 1.00 0.00 C ATOM 227 OE1 GLU A 20 2.671 -9.043 -5.866 1.00 0.00 O ATOM 228 OE2 GLU A 20 0.626 -9.577 -6.562 1.00 0.00 O ATOM 0 H GLU A 20 2.487 -11.545 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 20 3.078 -13.746 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.699 -10.739 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.941 -11.732 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.596 -11.969 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.192 -11.403 -4.651 1.00 0.00 H new ATOM 231 N GLU A 21 5.438 -12.207 -2.881 1.00 0.00 N ATOM 232 CA GLU A 21 6.872 -11.962 -2.667 1.00 0.00 C ATOM 233 C GLU A 21 7.514 -11.503 -3.992 1.00 0.00 C ATOM 234 O GLU A 21 8.729 -11.563 -4.167 1.00 0.00 O ATOM 235 CB GLU A 21 7.615 -13.170 -2.036 1.00 0.00 C ATOM 236 CG GLU A 21 7.773 -14.500 -2.790 1.00 0.00 C ATOM 237 CD GLU A 21 8.712 -14.468 -3.989 1.00 0.00 C ATOM 238 OE1 GLU A 21 9.935 -14.358 -3.752 1.00 0.00 O ATOM 239 OE2 GLU A 21 8.192 -14.557 -5.122 1.00 0.00 O ATOM 0 H GLU A 21 4.868 -11.608 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 21 6.971 -11.165 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.619 -12.828 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.110 -13.397 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.132 -15.254 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.789 -14.824 -3.130 1.00 0.00 H new ATOM 242 N VAL A 22 6.680 -10.988 -4.906 1.00 0.00 N ATOM 243 CA VAL A 22 7.042 -10.501 -6.226 1.00 0.00 C ATOM 244 C VAL A 22 6.873 -8.990 -6.202 1.00 0.00 C ATOM 245 O VAL A 22 6.103 -8.437 -5.415 1.00 0.00 O ATOM 246 CB VAL A 22 6.126 -11.173 -7.276 1.00 0.00 C ATOM 247 CG1 VAL A 22 6.405 -10.696 -8.702 1.00 0.00 C ATOM 248 CG2 VAL A 22 6.287 -12.694 -7.258 1.00 0.00 C ATOM 0 H VAL A 22 5.680 -10.899 -4.725 1.00 0.00 H new ATOM 0 HA VAL A 22 8.071 -10.743 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 22 5.112 -10.887 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.732 -11.203 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.245 -9.619 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.437 -10.926 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.631 -13.138 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.322 -12.953 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.024 -13.076 -6.272 1.00 0.00 H new ATOM 252 N THR A 23 7.614 -8.345 -7.100 1.00 0.00 N ATOM 253 CA THR A 23 7.995 -6.943 -6.946 1.00 0.00 C ATOM 254 C THR A 23 6.780 -6.047 -7.206 1.00 0.00 C ATOM 255 O THR A 23 5.767 -6.499 -7.743 1.00 0.00 O ATOM 256 CB THR A 23 9.142 -6.590 -7.925 1.00 0.00 C ATOM 257 OG1 THR A 23 10.126 -7.623 -7.890 1.00 0.00 O ATOM 258 CG2 THR A 23 9.833 -5.272 -7.574 1.00 0.00 C ATOM 0 H THR A 23 7.967 -8.778 -7.953 1.00 0.00 H new ATOM 0 HA THR A 23 8.347 -6.778 -5.928 1.00 0.00 H new ATOM 0 HB THR A 23 8.695 -6.490 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.853 -7.404 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.628 -5.075 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.106 -4.460 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.258 -5.340 -6.573 1.00 0.00 H new ATOM 263 N ASN A 24 6.878 -4.804 -6.716 1.00 0.00 N ATOM 264 CA ASN A 24 5.739 -3.964 -6.325 1.00 0.00 C ATOM 265 C ASN A 24 4.655 -3.847 -7.400 1.00 0.00 C ATOM 266 O ASN A 24 3.497 -3.718 -7.015 1.00 0.00 O ATOM 267 CB ASN A 24 6.194 -2.535 -5.952 1.00 0.00 C ATOM 268 CG ASN A 24 6.882 -1.778 -7.084 1.00 0.00 C ATOM 269 OD1 ASN A 24 8.088 -1.912 -7.277 1.00 0.00 O ATOM 270 ND2 ASN A 24 6.115 -0.981 -7.831 1.00 0.00 N ATOM 0 H ASN A 24 7.777 -4.343 -6.577 1.00 0.00 H new ATOM 0 HA ASN A 24 5.309 -4.473 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.325 -1.964 -5.624 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.875 -2.593 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.526 -0.452 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.118 -0.901 -7.633 1.00 0.00 H new ATOM 275 N ASN A 25 4.992 -3.898 -8.704 1.00 0.00 N ATOM 276 CA ASN A 25 4.039 -3.747 -9.801 1.00 0.00 C ATOM 277 C ASN A 25 2.819 -4.657 -9.641 1.00 0.00 C ATOM 278 O ASN A 25 1.703 -4.206 -9.882 1.00 0.00 O ATOM 279 CB ASN A 25 4.735 -4.058 -11.131 1.00 0.00 C ATOM 280 CG ASN A 25 3.830 -3.875 -12.344 1.00 0.00 C ATOM 281 OD1 ASN A 25 3.535 -4.838 -13.047 1.00 0.00 O ATOM 282 ND2 ASN A 25 3.390 -2.638 -12.589 1.00 0.00 N ATOM 0 H ASN A 25 5.950 -4.048 -9.020 1.00 0.00 H new ATOM 0 HA ASN A 25 3.685 -2.716 -9.787 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.607 -3.412 -11.236 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.100 -5.085 -11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.782 -2.462 -13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.662 -1.869 -11.976 1.00 0.00 H new ATOM 287 N ALA A 26 3.017 -5.913 -9.218 1.00 0.00 N ATOM 288 CA ALA A 26 1.902 -6.807 -8.929 1.00 0.00 C ATOM 289 C ALA A 26 1.304 -6.443 -7.574 1.00 0.00 C ATOM 290 O ALA A 26 2.015 -6.181 -6.604 1.00 0.00 O ATOM 291 CB ALA A 26 2.365 -8.266 -8.951 1.00 0.00 C ATOM 0 H ALA A 26 3.938 -6.326 -9.071 1.00 0.00 H new ATOM 0 HA ALA A 26 1.136 -6.692 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.520 -8.919 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.765 -8.506 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.140 -8.413 -8.199 1.00 0.00 H new ATOM 294 N SER A 27 -0.029 -6.363 -7.558 1.00 0.00 N ATOM 295 CA SER A 27 -0.727 -5.486 -6.621 1.00 0.00 C ATOM 296 C SER A 27 -1.546 -6.316 -5.588 1.00 0.00 C ATOM 297 O SER A 27 -1.153 -7.462 -5.372 1.00 0.00 O ATOM 298 CB SER A 27 -1.566 -4.583 -7.526 1.00 0.00 C ATOM 299 OG SER A 27 -0.751 -3.888 -8.462 1.00 0.00 O ATOM 0 H SER A 27 -0.641 -6.892 -8.179 1.00 0.00 H new ATOM 0 HA SER A 27 -0.069 -4.887 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.304 -5.183 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.117 -3.866 -6.918 1.00 0.00 H new ATOM 0 HG SER A 27 -1.302 -3.582 -9.212 1.00 0.00 H new ATOM 303 N PHE A 28 -2.596 -5.802 -4.884 1.00 0.00 N ATOM 304 CA PHE A 28 -3.298 -6.516 -3.801 1.00 0.00 C ATOM 305 C PHE A 28 -3.682 -7.917 -4.262 1.00 0.00 C ATOM 306 O PHE A 28 -3.493 -8.895 -3.544 1.00 0.00 O ATOM 307 CB PHE A 28 -4.602 -5.802 -3.370 1.00 0.00 C ATOM 308 CG PHE A 28 -4.600 -4.350 -2.951 1.00 0.00 C ATOM 309 CD1 PHE A 28 -3.408 -3.618 -2.846 1.00 0.00 C ATOM 310 CD2 PHE A 28 -5.818 -3.762 -2.565 1.00 0.00 C ATOM 311 CE1 PHE A 28 -3.438 -2.303 -2.360 1.00 0.00 C ATOM 312 CE2 PHE A 28 -5.847 -2.446 -2.079 1.00 0.00 C ATOM 313 CZ PHE A 28 -4.655 -1.713 -1.981 1.00 0.00 C ATOM 0 H PHE A 28 -2.974 -4.872 -5.062 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.609 -6.545 -2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.303 -5.892 -4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.017 -6.372 -2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.470 -4.066 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.736 -4.326 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.520 -1.740 -2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.784 -1.999 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.673 -0.697 -1.615 1.00 0.00 H new ATOM 317 N VAL A 29 -4.196 -7.930 -5.497 1.00 0.00 N ATOM 318 CA VAL A 29 -4.466 -9.014 -6.437 1.00 0.00 C ATOM 319 C VAL A 29 -5.100 -8.291 -7.639 1.00 0.00 C ATOM 320 O VAL A 29 -6.296 -8.454 -7.873 1.00 0.00 O ATOM 321 CB VAL A 29 -3.188 -9.802 -6.832 1.00 0.00 C ATOM 322 CG1 VAL A 29 -2.647 -10.667 -5.697 1.00 0.00 C ATOM 323 CG2 VAL A 29 -3.451 -10.730 -8.017 1.00 0.00 C ATOM 0 H VAL A 29 -4.472 -7.043 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.114 -9.780 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.454 -9.038 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.754 -11.193 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.396 -10.035 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.404 -11.392 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.536 -11.267 -8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.231 -11.445 -7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.774 -10.141 -8.876 1.00 0.00 H new ATOM 327 N GLU A 30 -4.353 -7.400 -8.315 1.00 0.00 N ATOM 328 CA GLU A 30 -4.939 -6.184 -8.848 1.00 0.00 C ATOM 329 C GLU A 30 -4.536 -5.833 -10.290 1.00 0.00 C ATOM 330 O GLU A 30 -5.236 -5.035 -10.915 1.00 0.00 O ATOM 331 CB GLU A 30 -4.471 -5.063 -7.907 1.00 0.00 C ATOM 332 CG GLU A 30 -4.854 -3.629 -8.308 1.00 0.00 C ATOM 333 CD GLU A 30 -4.066 -2.535 -7.596 1.00 0.00 C ATOM 334 OE1 GLU A 30 -4.354 -2.292 -6.405 1.00 0.00 O ATOM 335 OE2 GLU A 30 -3.191 -1.949 -8.271 1.00 0.00 O ATOM 0 H GLU A 30 -3.355 -7.508 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.020 -6.318 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.875 -5.260 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.385 -5.116 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.714 -3.517 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.915 -3.482 -8.108 1.00 0.00 H new ATOM 338 N ASP A 31 -3.388 -6.297 -10.810 1.00 0.00 N ATOM 339 CA ASP A 31 -2.659 -5.430 -11.726 1.00 0.00 C ATOM 340 C ASP A 31 -3.082 -5.643 -13.188 1.00 0.00 C ATOM 341 O ASP A 31 -2.537 -5.012 -14.093 1.00 0.00 O ATOM 342 CB ASP A 31 -1.152 -5.670 -11.529 1.00 0.00 C ATOM 343 CG ASP A 31 -0.293 -4.576 -12.155 1.00 0.00 C ATOM 344 OD1 ASP A 31 -0.493 -3.408 -11.756 1.00 0.00 O ATOM 345 OD2 ASP A 31 0.548 -4.923 -13.012 1.00 0.00 O ATOM 0 H ASP A 31 -2.971 -7.209 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.897 -4.391 -11.499 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.935 -5.731 -10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.882 -6.632 -11.965 1.00 0.00 H new ATOM 348 N LEU A 32 -4.132 -6.446 -13.401 1.00 0.00 N ATOM 349 CA LEU A 32 -4.833 -6.503 -14.680 1.00 0.00 C ATOM 350 C LEU A 32 -6.278 -5.945 -14.642 1.00 0.00 C ATOM 351 O LEU A 32 -6.977 -6.097 -15.644 1.00 0.00 O ATOM 352 CB LEU A 32 -4.840 -7.957 -15.198 1.00 0.00 C ATOM 353 CG LEU A 32 -5.446 -9.096 -14.355 1.00 0.00 C ATOM 354 CD1 LEU A 32 -6.924 -8.899 -14.017 1.00 0.00 C ATOM 355 CD2 LEU A 32 -5.301 -10.402 -15.130 1.00 0.00 C ATOM 0 H LEU A 32 -4.515 -7.071 -12.691 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.284 -5.851 -15.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.364 -7.953 -16.154 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.804 -8.228 -15.404 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.904 -9.109 -13.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.277 -9.742 -13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.048 -7.977 -13.449 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.503 -8.837 -14.939 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.725 -11.220 -14.547 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.829 -10.322 -16.080 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.245 -10.599 -15.317 1.00 0.00 H new ATOM 359 N GLY A 33 -6.759 -5.309 -13.552 1.00 0.00 N ATOM 360 CA GLY A 33 -8.131 -4.811 -13.486 1.00 0.00 C ATOM 361 C GLY A 33 -8.597 -4.628 -12.036 1.00 0.00 C ATOM 362 O GLY A 33 -9.076 -3.544 -11.708 1.00 0.00 O ATOM 0 H GLY A 33 -6.210 -5.133 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.199 -3.859 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.796 -5.507 -13.997 1.00 0.00 H new ATOM 366 N ALA A 34 -8.434 -5.650 -11.169 1.00 0.00 N ATOM 367 CA ALA A 34 -8.657 -5.602 -9.722 1.00 0.00 C ATOM 368 C ALA A 34 -10.103 -5.333 -9.293 1.00 0.00 C ATOM 369 O ALA A 34 -10.999 -5.149 -10.116 1.00 0.00 O ATOM 370 CB ALA A 34 -7.767 -4.516 -9.118 1.00 0.00 C ATOM 0 H ALA A 34 -8.129 -6.572 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.412 -6.599 -9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.926 -4.473 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.721 -4.748 -9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.018 -3.552 -9.561 1.00 0.00 H new ATOM 373 N ASP A 35 -10.298 -5.289 -7.967 1.00 0.00 N ATOM 374 CA ASP A 35 -11.520 -4.815 -7.339 1.00 0.00 C ATOM 375 C ASP A 35 -11.291 -3.354 -6.909 1.00 0.00 C ATOM 376 O ASP A 35 -10.281 -3.077 -6.260 1.00 0.00 O ATOM 377 CB ASP A 35 -11.841 -5.692 -6.124 1.00 0.00 C ATOM 378 CG ASP A 35 -13.101 -5.264 -5.387 1.00 0.00 C ATOM 379 OD1 ASP A 35 -14.180 -5.326 -6.017 1.00 0.00 O ATOM 380 OD2 ASP A 35 -12.959 -4.878 -4.208 1.00 0.00 O ATOM 0 H ASP A 35 -9.591 -5.590 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.362 -4.869 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.953 -6.726 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.998 -5.666 -5.433 1.00 0.00 H new ATOM 383 N SER A 36 -12.174 -2.412 -7.286 1.00 0.00 N ATOM 384 CA SER A 36 -11.932 -0.986 -7.088 1.00 0.00 C ATOM 385 C SER A 36 -11.932 -0.617 -5.604 1.00 0.00 C ATOM 386 O SER A 36 -10.906 -0.177 -5.092 1.00 0.00 O ATOM 387 CB SER A 36 -12.998 -0.167 -7.831 1.00 0.00 C ATOM 388 OG SER A 36 -12.727 1.227 -7.698 1.00 0.00 O ATOM 0 H SER A 36 -13.066 -2.623 -7.732 1.00 0.00 H new ATOM 0 HA SER A 36 -10.946 -0.754 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.011 -0.444 -8.885 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.986 -0.393 -7.430 1.00 0.00 H new ATOM 0 HG SER A 36 -13.411 1.740 -8.176 1.00 0.00 H new ATOM 392 N LEU A 37 -13.084 -0.768 -4.938 1.00 0.00 N ATOM 393 CA LEU A 37 -13.334 -0.252 -3.601 1.00 0.00 C ATOM 394 C LEU A 37 -12.375 -0.809 -2.553 1.00 0.00 C ATOM 395 O LEU A 37 -12.118 -0.130 -1.565 1.00 0.00 O ATOM 396 CB LEU A 37 -14.800 -0.509 -3.182 1.00 0.00 C ATOM 397 CG LEU A 37 -15.409 -1.917 -2.985 1.00 0.00 C ATOM 398 CD1 LEU A 37 -15.365 -2.753 -4.258 1.00 0.00 C ATOM 399 CD2 LEU A 37 -14.749 -2.709 -1.859 1.00 0.00 C ATOM 0 H LEU A 37 -13.883 -1.266 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.155 0.822 -3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.944 0.020 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.421 -0.010 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.447 -1.726 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.804 -3.732 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.929 -2.250 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.330 -2.876 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.224 -3.687 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.689 -2.838 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.862 -2.169 -0.919 1.00 0.00 H new ATOM 403 N ASP A 38 -11.827 -2.011 -2.761 1.00 0.00 N ATOM 404 CA ASP A 38 -10.797 -2.581 -1.924 1.00 0.00 C ATOM 405 C ASP A 38 -9.603 -1.626 -1.904 1.00 0.00 C ATOM 406 O ASP A 38 -9.276 -1.078 -0.852 1.00 0.00 O ATOM 407 CB ASP A 38 -10.454 -3.953 -2.515 1.00 0.00 C ATOM 408 CG ASP A 38 -9.444 -4.799 -1.742 1.00 0.00 C ATOM 409 OD1 ASP A 38 -8.591 -4.214 -1.043 1.00 0.00 O ATOM 410 OD2 ASP A 38 -9.541 -6.037 -1.879 1.00 0.00 O ATOM 0 H ASP A 38 -12.101 -2.617 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.114 -2.716 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.378 -4.525 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.071 -3.803 -3.524 1.00 0.00 H new ATOM 413 N THR A 39 -8.968 -1.435 -3.067 1.00 0.00 N ATOM 414 CA THR A 39 -7.894 -0.476 -3.289 1.00 0.00 C ATOM 415 C THR A 39 -8.236 0.916 -2.743 1.00 0.00 C ATOM 416 O THR A 39 -7.427 1.498 -2.023 1.00 0.00 O ATOM 417 CB THR A 39 -7.576 -0.405 -4.790 1.00 0.00 C ATOM 418 OG1 THR A 39 -7.334 -1.719 -5.291 1.00 0.00 O ATOM 419 CG2 THR A 39 -6.336 0.447 -5.068 1.00 0.00 C ATOM 0 H THR A 39 -9.201 -1.966 -3.906 1.00 0.00 H new ATOM 0 HA THR A 39 -7.016 -0.820 -2.742 1.00 0.00 H new ATOM 0 HB THR A 39 -8.434 0.051 -5.284 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.407 -1.785 -5.602 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.145 0.472 -6.141 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.503 1.461 -4.705 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.476 0.015 -4.556 1.00 0.00 H new ATOM 424 N VAL A 40 -9.416 1.445 -3.096 1.00 0.00 N ATOM 425 CA VAL A 40 -9.821 2.815 -2.806 1.00 0.00 C ATOM 426 C VAL A 40 -9.921 3.022 -1.304 1.00 0.00 C ATOM 427 O VAL A 40 -9.248 3.886 -0.754 1.00 0.00 O ATOM 428 CB VAL A 40 -11.168 3.131 -3.491 1.00 0.00 C ATOM 429 CG1 VAL A 40 -11.644 4.547 -3.174 1.00 0.00 C ATOM 430 CG2 VAL A 40 -11.071 2.999 -5.010 1.00 0.00 C ATOM 0 H VAL A 40 -10.126 0.915 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.068 3.498 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.881 2.405 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.595 4.732 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.773 4.655 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.904 5.267 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.038 3.229 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.321 3.694 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.784 1.980 -5.269 1.00 0.00 H new ATOM 434 N GLU A 41 -10.739 2.213 -0.641 1.00 0.00 N ATOM 435 CA GLU A 41 -10.938 2.284 0.780 1.00 0.00 C ATOM 436 C GLU A 41 -9.663 1.980 1.547 1.00 0.00 C ATOM 437 O GLU A 41 -9.439 2.612 2.573 1.00 0.00 O ATOM 438 CB GLU A 41 -12.051 1.283 1.072 1.00 0.00 C ATOM 439 CG GLU A 41 -12.482 1.139 2.539 1.00 0.00 C ATOM 440 CD GLU A 41 -11.471 0.420 3.431 1.00 0.00 C ATOM 441 OE1 GLU A 41 -11.051 -0.692 3.044 1.00 0.00 O ATOM 442 OE2 GLU A 41 -11.136 0.998 4.487 1.00 0.00 O ATOM 0 H GLU A 41 -11.286 1.481 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.213 3.288 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.926 1.566 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.731 0.305 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.667 2.132 2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.428 0.598 2.575 1.00 0.00 H new ATOM 445 N LEU A 42 -8.798 1.091 1.060 1.00 0.00 N ATOM 446 CA LEU A 42 -7.546 0.853 1.712 1.00 0.00 C ATOM 447 C LEU A 42 -6.503 1.920 1.413 1.00 0.00 C ATOM 448 O LEU A 42 -5.729 2.202 2.317 1.00 0.00 O ATOM 449 CB LEU A 42 -7.125 -0.531 1.250 1.00 0.00 C ATOM 450 CG LEU A 42 -6.071 -1.215 2.114 1.00 0.00 C ATOM 451 CD1 LEU A 42 -6.016 -2.680 1.723 1.00 0.00 C ATOM 452 CD2 LEU A 42 -4.672 -0.615 1.982 1.00 0.00 C ATOM 0 H LEU A 42 -8.955 0.535 0.220 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.646 0.903 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.009 -1.168 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.743 -0.455 0.232 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.368 -1.073 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.267 -3.190 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.991 -3.138 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.750 -2.766 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.981 -1.157 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.339 -0.693 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.697 0.434 2.277 1.00 0.00 H new ATOM 456 N VAL A 43 -6.472 2.583 0.250 1.00 0.00 N ATOM 457 CA VAL A 43 -5.631 3.739 0.126 1.00 0.00 C ATOM 458 C VAL A 43 -6.234 4.924 0.889 1.00 0.00 C ATOM 459 O VAL A 43 -5.465 5.717 1.414 1.00 0.00 O ATOM 460 CB VAL A 43 -5.470 3.971 -1.373 1.00 0.00 C ATOM 461 CG1 VAL A 43 -6.670 4.631 -2.052 1.00 0.00 C ATOM 462 CG2 VAL A 43 -4.234 4.818 -1.661 1.00 0.00 C ATOM 0 H VAL A 43 -7.007 2.336 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.647 3.604 0.575 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.373 2.970 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.464 4.755 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.551 4.002 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.852 5.607 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.140 4.970 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.331 5.784 -1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.347 4.306 -1.288 1.00 0.00 H new ATOM 466 N MET A 44 -7.566 4.988 1.061 1.00 0.00 N ATOM 467 CA MET A 44 -8.166 5.813 2.107 1.00 0.00 C ATOM 468 C MET A 44 -7.582 5.483 3.482 1.00 0.00 C ATOM 469 O MET A 44 -7.012 6.362 4.132 1.00 0.00 O ATOM 470 CB MET A 44 -9.673 5.596 2.143 1.00 0.00 C ATOM 471 CG MET A 44 -10.417 6.124 0.923 1.00 0.00 C ATOM 472 SD MET A 44 -12.176 5.724 0.936 1.00 0.00 S ATOM 473 CE MET A 44 -12.681 6.675 -0.514 1.00 0.00 C ATOM 0 H MET A 44 -8.239 4.478 0.489 1.00 0.00 H new ATOM 0 HA MET A 44 -7.944 6.854 1.874 1.00 0.00 H new ATOM 0 HB2 MET A 44 -9.871 4.529 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 44 -10.075 6.077 3.034 1.00 0.00 H new ATOM 0 HG2 MET A 44 -10.297 7.206 0.873 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.964 5.711 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 44 -13.473 6.143 -1.040 1.00 0.00 H new ATOM 0 HE2 MET A 44 -13.048 7.652 -0.199 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.827 6.805 -1.179 1.00 0.00 H new ATOM 476 N ALA A 45 -7.719 4.222 3.917 1.00 0.00 N ATOM 477 CA ALA A 45 -7.085 3.706 5.124 1.00 0.00 C ATOM 478 C ALA A 45 -5.628 4.161 5.231 1.00 0.00 C ATOM 479 O ALA A 45 -5.268 4.754 6.245 1.00 0.00 O ATOM 480 CB ALA A 45 -7.157 2.172 5.163 1.00 0.00 C ATOM 0 H ALA A 45 -8.283 3.527 3.428 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.632 4.110 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.678 1.808 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.200 1.856 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.644 1.761 4.293 1.00 0.00 H new ATOM 483 N LEU A 46 -4.804 3.896 4.200 1.00 0.00 N ATOM 484 CA LEU A 46 -3.371 4.171 4.209 1.00 0.00 C ATOM 485 C LEU A 46 -3.143 5.689 4.282 1.00 0.00 C ATOM 486 O LEU A 46 -2.355 6.127 5.118 1.00 0.00 O ATOM 487 CB LEU A 46 -2.734 3.473 5.421 1.00 0.00 C ATOM 488 CG LEU A 46 -2.503 1.965 5.310 1.00 0.00 C ATOM 489 CD1 LEU A 46 -1.964 1.477 6.637 1.00 0.00 C ATOM 490 CD2 LEU A 46 -3.755 1.156 4.978 1.00 0.00 C ATOM 0 H LEU A 46 -5.129 3.478 3.328 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.910 3.792 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.774 3.949 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.367 3.656 6.289 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.809 1.814 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.790 0.402 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.026 1.986 6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.687 1.690 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.499 0.098 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.502 1.306 5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.158 1.486 4.021 1.00 0.00 H new ATOM 494 N GLU A 47 -3.835 6.488 3.442 1.00 0.00 N ATOM 495 CA GLU A 47 -3.950 7.941 3.558 1.00 0.00 C ATOM 496 C GLU A 47 -3.904 8.371 5.013 1.00 0.00 C ATOM 497 O GLU A 47 -2.922 8.950 5.459 1.00 0.00 O ATOM 498 CB GLU A 47 -5.284 8.381 2.951 1.00 0.00 C ATOM 499 CG GLU A 47 -5.544 9.886 3.022 1.00 0.00 C ATOM 500 CD GLU A 47 -6.911 10.274 2.478 1.00 0.00 C ATOM 501 OE1 GLU A 47 -7.899 10.056 3.213 1.00 0.00 O ATOM 502 OE2 GLU A 47 -6.942 10.779 1.335 1.00 0.00 O ATOM 0 H GLU A 47 -4.343 6.117 2.639 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.116 8.403 3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.315 8.068 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.092 7.860 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.463 10.216 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.772 10.411 2.459 1.00 0.00 H new ATOM 505 N GLU A 48 -4.953 8.017 5.753 1.00 0.00 N ATOM 506 CA GLU A 48 -5.077 8.349 7.146 1.00 0.00 C ATOM 507 C GLU A 48 -4.015 7.728 8.064 1.00 0.00 C ATOM 508 O GLU A 48 -3.453 8.465 8.872 1.00 0.00 O ATOM 509 CB GLU A 48 -6.474 7.888 7.539 1.00 0.00 C ATOM 510 CG GLU A 48 -6.849 8.211 8.986 1.00 0.00 C ATOM 511 CD GLU A 48 -6.842 9.701 9.296 1.00 0.00 C ATOM 512 OE1 GLU A 48 -7.864 10.350 8.982 1.00 0.00 O ATOM 513 OE2 GLU A 48 -5.817 10.161 9.844 1.00 0.00 O ATOM 0 H GLU A 48 -5.742 7.486 5.386 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.918 9.420 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.200 8.354 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.547 6.811 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.840 7.809 9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.153 7.705 9.655 1.00 0.00 H new ATOM 516 N GLU A 49 -3.772 6.410 8.007 1.00 0.00 N ATOM 517 CA GLU A 49 -2.822 5.754 8.919 1.00 0.00 C ATOM 518 C GLU A 49 -1.422 6.314 8.705 1.00 0.00 C ATOM 519 O GLU A 49 -0.672 6.490 9.664 1.00 0.00 O ATOM 520 CB GLU A 49 -2.780 4.224 8.768 1.00 0.00 C ATOM 521 CG GLU A 49 -4.130 3.552 9.031 1.00 0.00 C ATOM 522 CD GLU A 49 -4.729 3.893 10.392 1.00 0.00 C ATOM 523 OE1 GLU A 49 -4.272 3.295 11.390 1.00 0.00 O ATOM 524 OE2 GLU A 49 -5.642 4.746 10.407 1.00 0.00 O ATOM 0 H GLU A 49 -4.218 5.779 7.341 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.176 5.967 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.448 3.974 7.760 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.040 3.818 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.831 3.848 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.009 2.471 8.958 1.00 0.00 H new ATOM 527 N PHE A 50 -1.102 6.655 7.454 1.00 0.00 N ATOM 528 CA PHE A 50 0.207 7.150 7.095 1.00 0.00 C ATOM 529 C PHE A 50 0.228 8.683 6.988 1.00 0.00 C ATOM 530 O PHE A 50 1.316 9.252 7.028 1.00 0.00 O ATOM 531 CB PHE A 50 0.587 6.496 5.772 1.00 0.00 C ATOM 532 CG PHE A 50 0.694 4.978 5.815 1.00 0.00 C ATOM 533 CD1 PHE A 50 1.180 4.328 6.967 1.00 0.00 C ATOM 534 CD2 PHE A 50 0.467 4.231 4.646 1.00 0.00 C ATOM 535 CE1 PHE A 50 1.409 2.939 6.958 1.00 0.00 C ATOM 536 CE2 PHE A 50 0.705 2.844 4.633 1.00 0.00 C ATOM 537 CZ PHE A 50 1.170 2.191 5.790 1.00 0.00 C ATOM 0 H PHE A 50 -1.751 6.592 6.670 1.00 0.00 H new ATOM 0 HA PHE A 50 0.930 6.896 7.870 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.153 6.772 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.543 6.904 5.443 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.378 4.899 7.862 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.108 4.724 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.769 2.446 7.849 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.530 2.278 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.342 1.125 5.782 1.00 0.00 H new ATOM 541 N ASP A 51 -0.939 9.361 7.001 1.00 0.00 N ATOM 542 CA ASP A 51 -1.124 10.781 7.287 1.00 0.00 C ATOM 543 C ASP A 51 -0.255 11.635 6.360 1.00 0.00 C ATOM 544 O ASP A 51 0.399 12.584 6.793 1.00 0.00 O ATOM 545 CB ASP A 51 -0.853 11.082 8.782 1.00 0.00 C ATOM 546 CG ASP A 51 0.510 10.704 9.361 1.00 0.00 C ATOM 547 OD1 ASP A 51 1.450 11.514 9.215 1.00 0.00 O ATOM 548 OD2 ASP A 51 0.583 9.606 9.955 1.00 0.00 O ATOM 0 H ASP A 51 -1.824 8.895 6.799 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.163 11.044 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.995 12.152 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.617 10.571 9.368 1.00 0.00 H new ATOM 551 N THR A 52 -0.272 11.310 5.060 1.00 0.00 N ATOM 552 CA THR A 52 0.503 12.078 4.096 1.00 0.00 C ATOM 553 C THR A 52 -0.244 12.218 2.748 1.00 0.00 C ATOM 554 O THR A 52 -1.406 11.830 2.636 1.00 0.00 O ATOM 555 CB THR A 52 1.882 11.396 3.908 1.00 0.00 C ATOM 556 OG1 THR A 52 2.741 12.230 3.132 1.00 0.00 O ATOM 557 CG2 THR A 52 1.795 10.030 3.217 1.00 0.00 C ATOM 0 H THR A 52 -0.805 10.535 4.664 1.00 0.00 H new ATOM 0 HA THR A 52 0.647 13.089 4.477 1.00 0.00 H new ATOM 0 HB THR A 52 2.278 11.242 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.671 12.082 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.795 9.608 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.176 9.359 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.351 10.150 2.229 1.00 0.00 H new ATOM 562 N GLU A 53 0.432 12.776 1.730 1.00 0.00 N ATOM 563 CA GLU A 53 0.000 12.959 0.357 1.00 0.00 C ATOM 564 C GLU A 53 1.163 12.514 -0.536 1.00 0.00 C ATOM 565 O GLU A 53 2.296 12.426 -0.058 1.00 0.00 O ATOM 566 CB GLU A 53 -0.317 14.443 0.181 1.00 0.00 C ATOM 567 CG GLU A 53 -0.820 14.801 -1.218 1.00 0.00 C ATOM 568 CD GLU A 53 -1.100 16.288 -1.385 1.00 0.00 C ATOM 569 OE1 GLU A 53 -2.227 16.698 -1.035 1.00 0.00 O ATOM 570 OE2 GLU A 53 -0.182 16.987 -1.866 1.00 0.00 O ATOM 0 H GLU A 53 1.375 13.138 1.872 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.886 12.380 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.069 14.734 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.579 15.025 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.079 14.491 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.731 14.239 -1.426 1.00 0.00 H new ATOM 573 N ILE A 54 0.919 12.207 -1.818 1.00 0.00 N ATOM 574 CA ILE A 54 1.910 11.419 -2.533 1.00 0.00 C ATOM 575 C ILE A 54 2.050 11.860 -3.995 1.00 0.00 C ATOM 576 O ILE A 54 1.352 11.354 -4.874 1.00 0.00 O ATOM 577 CB ILE A 54 1.517 9.926 -2.495 1.00 0.00 C ATOM 578 CG1 ILE A 54 1.198 9.431 -1.075 1.00 0.00 C ATOM 579 CG2 ILE A 54 2.654 9.083 -3.083 1.00 0.00 C ATOM 580 CD1 ILE A 54 0.581 8.030 -1.015 1.00 0.00 C ATOM 0 H ILE A 54 0.091 12.477 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 54 2.868 11.575 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 54 0.609 9.817 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.116 9.436 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.514 10.136 -0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.377 8.029 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.835 9.385 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.560 9.235 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.389 7.761 0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.356 8.021 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.271 7.309 -1.454 1.00 0.00 H new ATOM 584 N PRO A 55 3.037 12.729 -4.268 1.00 0.00 N ATOM 585 CA PRO A 55 3.692 12.880 -5.566 1.00 0.00 C ATOM 586 C PRO A 55 4.081 11.553 -6.212 1.00 0.00 C ATOM 587 O PRO A 55 4.302 10.565 -5.515 1.00 0.00 O ATOM 588 CB PRO A 55 4.931 13.693 -5.217 1.00 0.00 C ATOM 589 CG PRO A 55 4.396 14.661 -4.189 1.00 0.00 C ATOM 590 CD PRO A 55 3.598 13.690 -3.322 1.00 0.00 C ATOM 0 HA PRO A 55 3.035 13.345 -6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.728 13.068 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.339 14.207 -6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.188 15.164 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.772 15.439 -4.630 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.236 13.198 -2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.813 14.206 -2.768 1.00 0.00 H new ATOM 594 N ASP A 56 4.197 11.529 -7.541 1.00 0.00 N ATOM 595 CA ASP A 56 4.303 10.262 -8.249 1.00 0.00 C ATOM 596 C ASP A 56 5.734 9.716 -8.352 1.00 0.00 C ATOM 597 O ASP A 56 5.914 8.603 -8.843 1.00 0.00 O ATOM 598 CB ASP A 56 3.727 10.450 -9.652 1.00 0.00 C ATOM 599 CG ASP A 56 2.266 10.881 -9.644 1.00 0.00 C ATOM 600 OD1 ASP A 56 1.414 9.998 -9.408 1.00 0.00 O ATOM 601 OD2 ASP A 56 2.030 12.088 -9.870 1.00 0.00 O ATOM 0 H ASP A 56 4.219 12.358 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 56 3.745 9.524 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.317 11.196 -10.184 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.821 9.516 -10.205 1.00 0.00 H new ATOM 604 N GLU A 57 6.736 10.421 -7.810 1.00 0.00 N ATOM 605 CA GLU A 57 8.090 9.904 -7.678 1.00 0.00 C ATOM 606 C GLU A 57 8.262 9.031 -6.441 1.00 0.00 C ATOM 607 O GLU A 57 8.781 7.921 -6.546 1.00 0.00 O ATOM 608 CB GLU A 57 9.043 11.091 -7.605 1.00 0.00 C ATOM 609 CG GLU A 57 10.515 10.685 -7.537 1.00 0.00 C ATOM 610 CD GLU A 57 11.441 11.876 -7.339 1.00 0.00 C ATOM 611 OE1 GLU A 57 11.679 12.215 -6.159 1.00 0.00 O ATOM 612 OE2 GLU A 57 11.896 12.424 -8.366 1.00 0.00 O ATOM 0 H GLU A 57 6.622 11.369 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 57 8.306 9.274 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.889 11.725 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.798 11.690 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.656 9.979 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.788 10.166 -8.456 1.00 0.00 H new ATOM 615 N GLU A 58 7.705 9.464 -5.311 1.00 0.00 N ATOM 616 CA GLU A 58 7.701 8.760 -4.067 1.00 0.00 C ATOM 617 C GLU A 58 6.593 7.707 -4.104 1.00 0.00 C ATOM 618 O GLU A 58 6.748 6.634 -3.526 1.00 0.00 O ATOM 619 CB GLU A 58 7.430 9.852 -3.040 1.00 0.00 C ATOM 620 CG GLU A 58 6.020 10.466 -3.021 1.00 0.00 C ATOM 621 CD GLU A 58 5.873 11.641 -2.065 1.00 0.00 C ATOM 622 OE1 GLU A 58 6.751 12.530 -2.103 1.00 0.00 O ATOM 623 OE2 GLU A 58 4.866 11.640 -1.328 1.00 0.00 O ATOM 0 H GLU A 58 7.225 10.362 -5.255 1.00 0.00 H new ATOM 0 HA GLU A 58 8.624 8.226 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.633 9.443 -2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.146 10.657 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.764 10.795 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.302 9.694 -2.746 1.00 0.00 H new ATOM 626 N ALA A 59 5.587 7.942 -4.956 1.00 0.00 N ATOM 627 CA ALA A 59 4.730 6.904 -5.483 1.00 0.00 C ATOM 628 C ALA A 59 5.517 5.849 -6.261 1.00 0.00 C ATOM 629 O ALA A 59 5.312 4.668 -5.984 1.00 0.00 O ATOM 630 CB ALA A 59 3.696 7.548 -6.404 1.00 0.00 C ATOM 0 H ALA A 59 5.353 8.875 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 59 4.248 6.400 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.041 6.778 -6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.103 8.267 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.205 8.059 -7.221 1.00 0.00 H new ATOM 633 N GLU A 60 6.385 6.226 -7.223 1.00 0.00 N ATOM 634 CA GLU A 60 7.057 5.264 -8.093 1.00 0.00 C ATOM 635 C GLU A 60 5.990 4.397 -8.803 1.00 0.00 C ATOM 636 O GLU A 60 6.190 3.206 -9.028 1.00 0.00 O ATOM 637 CB GLU A 60 8.029 4.460 -7.200 1.00 0.00 C ATOM 638 CG GLU A 60 8.959 3.443 -7.877 1.00 0.00 C ATOM 639 CD GLU A 60 8.459 2.000 -7.841 1.00 0.00 C ATOM 640 OE1 GLU A 60 8.041 1.562 -6.746 1.00 0.00 O ATOM 641 OE2 GLU A 60 8.507 1.357 -8.912 1.00 0.00 O ATOM 0 H GLU A 60 6.632 7.198 -7.410 1.00 0.00 H new ATOM 0 HA GLU A 60 7.636 5.734 -8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.652 5.173 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.436 3.927 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.103 3.738 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.936 3.487 -7.395 1.00 0.00 H new ATOM 644 N LYS A 61 4.839 5.002 -9.156 1.00 0.00 N ATOM 645 CA LYS A 61 3.686 4.343 -9.749 1.00 0.00 C ATOM 646 C LYS A 61 3.131 3.312 -8.751 1.00 0.00 C ATOM 647 O LYS A 61 3.192 2.109 -9.006 1.00 0.00 O ATOM 648 CB LYS A 61 4.099 3.689 -11.077 1.00 0.00 C ATOM 649 CG LYS A 61 2.929 3.095 -11.864 1.00 0.00 C ATOM 650 CD LYS A 61 3.328 2.308 -13.119 1.00 0.00 C ATOM 651 CE LYS A 61 3.946 3.124 -14.262 1.00 0.00 C ATOM 652 NZ LYS A 61 5.299 3.619 -13.956 1.00 0.00 N ATOM 0 H LYS A 61 4.693 6.003 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 61 2.899 5.065 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.601 4.432 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.824 2.901 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.364 2.437 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.260 3.904 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.038 1.535 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.443 1.800 -13.501 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.986 2.507 -15.160 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.298 3.971 -14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.912 3.489 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.253 4.630 -13.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.689 3.089 -13.151 1.00 0.00 H new ATOM 658 N ILE A 62 2.578 3.777 -7.616 1.00 0.00 N ATOM 659 CA ILE A 62 1.919 2.948 -6.629 1.00 0.00 C ATOM 660 C ILE A 62 0.804 2.107 -7.254 1.00 0.00 C ATOM 661 O ILE A 62 -0.325 2.570 -7.416 1.00 0.00 O ATOM 662 CB ILE A 62 1.340 3.891 -5.566 1.00 0.00 C ATOM 663 CG1 ILE A 62 2.451 4.741 -4.958 1.00 0.00 C ATOM 664 CG2 ILE A 62 0.623 3.124 -4.454 1.00 0.00 C ATOM 665 CD1 ILE A 62 1.957 5.787 -3.954 1.00 0.00 C ATOM 0 H ILE A 62 2.585 4.766 -7.368 1.00 0.00 H new ATOM 0 HA ILE A 62 2.633 2.249 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 62 0.610 4.531 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.166 4.085 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.987 5.248 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.228 3.829 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.197 2.546 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.326 2.450 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.807 6.350 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.265 6.469 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.447 5.288 -3.130 1.00 0.00 H new ATOM 669 N THR A 63 1.102 0.823 -7.473 1.00 0.00 N ATOM 670 CA THR A 63 0.063 -0.189 -7.597 1.00 0.00 C ATOM 671 C THR A 63 -0.412 -0.663 -6.200 1.00 0.00 C ATOM 672 O THR A 63 -1.230 -1.577 -6.116 1.00 0.00 O ATOM 673 CB THR A 63 0.615 -1.360 -8.413 1.00 0.00 C ATOM 674 OG1 THR A 63 1.790 -1.852 -7.784 1.00 0.00 O ATOM 675 CG2 THR A 63 0.957 -0.956 -9.848 1.00 0.00 C ATOM 0 H THR A 63 2.053 0.466 -7.567 1.00 0.00 H new ATOM 0 HA THR A 63 -0.802 0.234 -8.108 1.00 0.00 H new ATOM 0 HB THR A 63 -0.159 -2.126 -8.455 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.863 -2.817 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.345 -1.821 -10.387 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.059 -0.590 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.711 -0.169 -9.835 1.00 0.00 H new ATOM 680 N THR A 64 0.020 0.018 -5.119 1.00 0.00 N ATOM 681 CA THR A 64 -0.622 0.147 -3.812 1.00 0.00 C ATOM 682 C THR A 64 -0.231 -0.999 -2.854 1.00 0.00 C ATOM 683 O THR A 64 -0.788 -1.106 -1.763 1.00 0.00 O ATOM 684 CB THR A 64 -2.152 0.277 -3.978 1.00 0.00 C ATOM 685 OG1 THR A 64 -2.446 1.156 -5.066 1.00 0.00 O ATOM 686 CG2 THR A 64 -2.817 0.862 -2.728 1.00 0.00 C ATOM 0 H THR A 64 0.901 0.531 -5.149 1.00 0.00 H new ATOM 0 HA THR A 64 -0.257 1.062 -3.345 1.00 0.00 H new ATOM 0 HB THR A 64 -2.538 -0.727 -4.156 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.417 1.235 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.893 0.936 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.621 0.213 -1.874 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.411 1.854 -2.530 1.00 0.00 H new ATOM 691 N VAL A 65 0.790 -1.802 -3.193 1.00 0.00 N ATOM 692 CA VAL A 65 1.385 -2.736 -2.239 1.00 0.00 C ATOM 693 C VAL A 65 2.845 -2.268 -2.055 1.00 0.00 C ATOM 694 O VAL A 65 3.009 -1.144 -1.584 1.00 0.00 O ATOM 695 CB VAL A 65 1.198 -4.194 -2.736 1.00 0.00 C ATOM 696 CG1 VAL A 65 1.788 -5.230 -1.773 1.00 0.00 C ATOM 697 CG2 VAL A 65 -0.284 -4.523 -2.880 1.00 0.00 C ATOM 0 H VAL A 65 1.216 -1.819 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 65 0.906 -2.739 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 65 1.720 -4.248 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.627 -6.231 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.857 -5.052 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.299 -5.144 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.397 -5.549 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.777 -4.412 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.739 -3.843 -3.600 1.00 0.00 H new ATOM 701 N GLN A 66 3.884 -3.053 -2.395 1.00 0.00 N ATOM 702 CA GLN A 66 5.299 -2.761 -2.126 1.00 0.00 C ATOM 703 C GLN A 66 5.795 -1.378 -2.566 1.00 0.00 C ATOM 704 O GLN A 66 6.822 -0.944 -2.053 1.00 0.00 O ATOM 705 CB GLN A 66 6.171 -3.820 -2.808 1.00 0.00 C ATOM 706 CG GLN A 66 5.689 -5.234 -2.470 1.00 0.00 C ATOM 707 CD GLN A 66 6.553 -6.350 -3.052 1.00 0.00 C ATOM 708 OE1 GLN A 66 7.384 -6.119 -3.930 1.00 0.00 O ATOM 709 NE2 GLN A 66 6.354 -7.574 -2.557 1.00 0.00 N ATOM 0 H GLN A 66 3.753 -3.940 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 66 5.382 -2.775 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.148 -3.673 -3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.207 -3.701 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.656 -5.344 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.669 -5.354 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.655 -7.722 -1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.901 -8.361 -2.906 1.00 0.00 H new ATOM 714 N ALA A 67 5.057 -0.643 -3.409 1.00 0.00 N ATOM 715 CA ALA A 67 5.510 0.658 -3.885 1.00 0.00 C ATOM 716 C ALA A 67 5.046 1.765 -2.938 1.00 0.00 C ATOM 717 O ALA A 67 5.900 2.504 -2.457 1.00 0.00 O ATOM 718 CB ALA A 67 4.985 0.922 -5.304 1.00 0.00 C ATOM 0 H ALA A 67 4.148 -0.931 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 67 6.600 0.654 -3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.332 1.897 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.355 0.149 -5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.895 0.907 -5.297 1.00 0.00 H new ATOM 721 N ALA A 68 3.752 1.862 -2.608 1.00 0.00 N ATOM 722 CA ALA A 68 3.289 2.641 -1.462 1.00 0.00 C ATOM 723 C ALA A 68 4.012 2.222 -0.188 1.00 0.00 C ATOM 724 O ALA A 68 4.406 3.084 0.591 1.00 0.00 O ATOM 725 CB ALA A 68 1.777 2.495 -1.252 1.00 0.00 C ATOM 0 H ALA A 68 3.003 1.404 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 68 3.514 3.685 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.470 3.089 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.251 2.845 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.534 1.447 -1.076 1.00 0.00 H new ATOM 728 N ILE A 69 4.215 0.914 0.012 1.00 0.00 N ATOM 729 CA ILE A 69 4.992 0.398 1.123 1.00 0.00 C ATOM 730 C ILE A 69 6.380 1.003 1.065 1.00 0.00 C ATOM 731 O ILE A 69 6.661 1.815 1.931 1.00 0.00 O ATOM 732 CB ILE A 69 5.031 -1.140 1.059 1.00 0.00 C ATOM 733 CG1 ILE A 69 3.635 -1.714 1.359 1.00 0.00 C ATOM 734 CG2 ILE A 69 6.050 -1.707 2.052 1.00 0.00 C ATOM 735 CD1 ILE A 69 3.511 -3.235 1.203 1.00 0.00 C ATOM 0 H ILE A 69 3.840 0.189 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 69 4.536 0.672 2.074 1.00 0.00 H new ATOM 0 HB ILE A 69 5.335 -1.431 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.360 -1.445 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.913 -1.236 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.056 -2.795 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.042 -1.323 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.778 -1.407 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.492 -3.543 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.750 -3.516 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.204 -3.728 1.885 1.00 0.00 H new ATOM 739 N ASP A 70 7.228 0.650 0.094 1.00 0.00 N ATOM 740 CA ASP A 70 8.521 1.292 -0.071 1.00 0.00 C ATOM 741 C ASP A 70 8.482 2.823 -0.015 1.00 0.00 C ATOM 742 O ASP A 70 9.413 3.413 0.527 1.00 0.00 O ATOM 743 CB ASP A 70 9.116 0.841 -1.401 1.00 0.00 C ATOM 744 CG ASP A 70 10.518 1.383 -1.647 1.00 0.00 C ATOM 745 OD1 ASP A 70 11.440 0.893 -0.961 1.00 0.00 O ATOM 746 OD2 ASP A 70 10.635 2.278 -2.511 1.00 0.00 O ATOM 0 H ASP A 70 7.034 -0.082 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 70 9.136 0.986 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.145 -0.248 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.462 1.162 -2.212 1.00 0.00 H new ATOM 749 N TYR A 71 7.421 3.469 -0.517 1.00 0.00 N ATOM 750 CA TYR A 71 7.184 4.881 -0.316 1.00 0.00 C ATOM 751 C TYR A 71 7.144 5.214 1.170 1.00 0.00 C ATOM 752 O TYR A 71 7.895 6.066 1.639 1.00 0.00 O ATOM 753 CB TYR A 71 5.838 5.213 -0.950 1.00 0.00 C ATOM 754 CG TYR A 71 5.296 6.578 -0.598 1.00 0.00 C ATOM 755 CD1 TYR A 71 6.142 7.702 -0.601 1.00 0.00 C ATOM 756 CD2 TYR A 71 4.012 6.672 -0.037 1.00 0.00 C ATOM 757 CE1 TYR A 71 5.695 8.920 -0.063 1.00 0.00 C ATOM 758 CE2 TYR A 71 3.567 7.890 0.500 1.00 0.00 C ATOM 759 CZ TYR A 71 4.403 9.017 0.482 1.00 0.00 C ATOM 760 OH TYR A 71 3.958 10.202 0.986 1.00 0.00 O ATOM 0 H TYR A 71 6.703 3.010 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 71 7.987 5.463 -0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 71 5.935 5.143 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.112 4.459 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.136 7.628 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.366 5.806 -0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.345 9.783 -0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.578 7.960 0.928 1.00 0.00 H new ATOM 0 HH TYR A 71 4.154 10.922 0.351 1.00 0.00 H new ATOM 764 N ILE A 72 6.205 4.596 1.887 1.00 0.00 N ATOM 765 CA ILE A 72 5.991 4.834 3.289 1.00 0.00 C ATOM 766 C ILE A 72 7.277 4.534 4.046 1.00 0.00 C ATOM 767 O ILE A 72 7.651 5.321 4.912 1.00 0.00 O ATOM 768 CB ILE A 72 4.807 3.959 3.694 1.00 0.00 C ATOM 769 CG1 ILE A 72 3.528 4.444 2.998 1.00 0.00 C ATOM 770 CG2 ILE A 72 4.596 3.951 5.204 1.00 0.00 C ATOM 771 CD1 ILE A 72 3.239 5.938 3.154 1.00 0.00 C ATOM 0 H ILE A 72 5.568 3.906 1.490 1.00 0.00 H new ATOM 0 HA ILE A 72 5.749 5.870 3.524 1.00 0.00 H new ATOM 0 HB ILE A 72 5.033 2.940 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.599 4.211 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.681 3.882 3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.744 3.317 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.489 3.564 5.694 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.403 4.967 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.317 6.187 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.131 6.179 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.063 6.514 2.733 1.00 0.00 H new ATOM 775 N ASN A 73 7.971 3.458 3.654 1.00 0.00 N ATOM 776 CA ASN A 73 9.338 3.181 4.071 1.00 0.00 C ATOM 777 C ASN A 73 10.239 4.397 3.877 1.00 0.00 C ATOM 778 O ASN A 73 10.708 4.957 4.867 1.00 0.00 O ATOM 779 CB ASN A 73 9.907 1.990 3.294 1.00 0.00 C ATOM 780 CG ASN A 73 9.303 0.626 3.615 1.00 0.00 C ATOM 781 OD1 ASN A 73 8.112 0.495 3.879 1.00 0.00 O ATOM 782 ND2 ASN A 73 10.146 -0.408 3.589 1.00 0.00 N ATOM 0 H ASN A 73 7.587 2.749 3.029 1.00 0.00 H new ATOM 0 HA ASN A 73 9.311 2.939 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.775 2.181 2.229 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.980 1.942 3.479 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.807 -1.348 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.130 -0.258 3.365 1.00 0.00 H new ATOM 787 N GLY A 74 10.443 4.817 2.622 1.00 0.00 N ATOM 788 CA GLY A 74 11.173 6.025 2.269 1.00 0.00 C ATOM 789 C GLY A 74 10.649 7.274 2.983 1.00 0.00 C ATOM 790 O GLY A 74 11.435 8.179 3.252 1.00 0.00 O ATOM 0 H GLY A 74 10.094 4.309 1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.227 5.890 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.112 6.177 1.191 1.00 0.00 H new ATOM 794 N HIS A 75 9.359 7.313 3.344 1.00 0.00 N ATOM 795 CA HIS A 75 8.751 8.444 3.989 1.00 0.00 C ATOM 796 C HIS A 75 9.127 8.435 5.469 1.00 0.00 C ATOM 797 O HIS A 75 9.923 9.274 5.888 1.00 0.00 O ATOM 798 CB HIS A 75 7.249 8.289 3.768 1.00 0.00 C ATOM 799 CG HIS A 75 6.429 9.427 4.313 1.00 0.00 C ATOM 800 ND1 HIS A 75 6.275 9.669 5.669 1.00 0.00 N ATOM 801 CD2 HIS A 75 5.725 10.383 3.632 1.00 0.00 C ATOM 802 CE1 HIS A 75 5.498 10.758 5.770 1.00 0.00 C ATOM 803 NE2 HIS A 75 5.145 11.221 4.562 1.00 0.00 N ATOM 0 H HIS A 75 8.714 6.539 3.186 1.00 0.00 H new ATOM 0 HA HIS A 75 9.088 9.400 3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.057 8.196 2.699 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.918 7.361 4.233 1.00 0.00 H new ATOM 0 HD1 HIS A 75 6.673 9.128 6.436 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.639 10.466 2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.195 11.205 6.705 1.00 0.00 H new ATOM 810 N GLN A 76 8.523 7.521 6.244 1.00 0.00 N ATOM 811 CA GLN A 76 8.864 7.182 7.626 1.00 0.00 C ATOM 812 C GLN A 76 8.120 8.119 8.585 1.00 0.00 C ATOM 813 O GLN A 76 7.890 9.286 8.268 1.00 0.00 O ATOM 814 CB GLN A 76 10.381 7.242 7.885 1.00 0.00 C ATOM 815 CG GLN A 76 10.803 6.733 9.267 1.00 0.00 C ATOM 816 CD GLN A 76 10.513 5.251 9.476 1.00 0.00 C ATOM 817 OE1 GLN A 76 11.144 4.402 8.849 1.00 0.00 O ATOM 818 NE2 GLN A 76 9.566 4.935 10.363 1.00 0.00 N ATOM 0 H GLN A 76 7.738 6.969 5.898 1.00 0.00 H new ATOM 0 HA GLN A 76 8.553 6.152 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.892 6.654 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 76 10.717 8.273 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.870 6.910 9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.285 7.310 10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.067 5.672 10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.342 3.956 10.543 1.00 0.00 H new ATOM 823 N ALA A 77 7.791 7.615 9.779 1.00 0.00 N ATOM 824 CA ALA A 77 7.367 8.423 10.908 1.00 0.00 C ATOM 825 C ALA A 77 7.848 7.768 12.199 1.00 0.00 C ATOM 826 O ALA A 77 7.757 6.545 12.307 1.00 0.00 O ATOM 827 CB ALA A 77 5.846 8.561 10.926 1.00 0.00 C ATOM 828 OXT ALA A 77 8.391 8.484 13.037 1.00 0.00 O ATOM 0 H ALA A 77 7.815 6.616 9.983 1.00 0.00 H new ATOM 0 HA ALA A 77 7.799 9.420 10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.546 9.170 11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.513 9.038 10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.392 7.573 11.007 1.00 0.00 H new TER 830 ALA A 77