USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0766 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00188 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.741 (180deg=0.698) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.42) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0.134 USER MOD Single : A 45 ASN : amide:sc= -0.943 K(o=-0.94,f=-7.7!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0554 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.07) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00796 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.46! X(o=-0.46!,f=-0.23) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.757 (180deg=-3.08!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.117 -21.781 -14.839 1.00 0.00 N ATOM 2 CA GLY A 1 10.101 -20.707 -14.749 1.00 0.00 C ATOM 3 C GLY A 1 10.680 -19.418 -14.211 1.00 0.00 C ATOM 4 O GLY A 1 11.741 -19.424 -13.586 1.00 0.00 O ATOM 0 H1 GLY A 1 11.328 -21.976 -15.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.986 -21.478 -14.354 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.751 -22.644 -14.387 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.675 -20.528 -15.736 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.285 -21.034 -14.104 1.00 0.00 H new ATOM 8 N SER A 2 9.996 -18.310 -14.467 1.00 0.00 N ATOM 9 CA SER A 2 10.416 -17.015 -13.957 1.00 0.00 C ATOM 10 C SER A 2 9.886 -16.811 -12.540 1.00 0.00 C ATOM 11 O SER A 2 8.714 -17.086 -12.265 1.00 0.00 O ATOM 12 CB SER A 2 9.913 -15.904 -14.884 1.00 0.00 C ATOM 13 OG SER A 2 8.518 -16.029 -15.112 1.00 0.00 O ATOM 0 H SER A 2 9.144 -18.285 -15.028 1.00 0.00 H new ATOM 0 HA SER A 2 11.505 -16.979 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.128 -14.931 -14.442 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.446 -15.948 -15.834 1.00 0.00 H new ATOM 0 HG SER A 2 8.218 -15.309 -15.705 1.00 0.00 H new ATOM 19 N MET A 3 10.745 -16.343 -11.646 1.00 0.00 N ATOM 20 CA MET A 3 10.359 -16.130 -10.256 1.00 0.00 C ATOM 21 C MET A 3 9.658 -14.788 -10.097 1.00 0.00 C ATOM 22 O MET A 3 8.463 -14.739 -9.799 1.00 0.00 O ATOM 23 CB MET A 3 11.579 -16.183 -9.328 1.00 0.00 C ATOM 24 CG MET A 3 12.315 -17.517 -9.330 1.00 0.00 C ATOM 25 SD MET A 3 13.301 -17.769 -10.821 1.00 0.00 S ATOM 26 CE MET A 3 13.946 -19.413 -10.526 1.00 0.00 C ATOM 0 H MET A 3 11.714 -16.103 -11.857 1.00 0.00 H new ATOM 0 HA MET A 3 9.674 -16.931 -9.978 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.276 -15.397 -9.619 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.256 -15.962 -8.311 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.965 -17.569 -8.457 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.591 -18.327 -9.237 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.577 -19.712 -11.363 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.535 -19.414 -9.609 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.119 -20.116 -10.427 1.00 0.00 H new ATOM 36 N ALA A 4 10.413 -13.709 -10.314 1.00 0.00 N ATOM 37 CA ALA A 4 9.901 -12.341 -10.198 1.00 0.00 C ATOM 38 C ALA A 4 9.346 -12.066 -8.803 1.00 0.00 C ATOM 39 O ALA A 4 8.152 -12.238 -8.547 1.00 0.00 O ATOM 40 CB ALA A 4 8.841 -12.059 -11.260 1.00 0.00 C ATOM 0 H ALA A 4 11.398 -13.759 -10.575 1.00 0.00 H new ATOM 0 HA ALA A 4 10.741 -11.667 -10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.479 -11.037 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.277 -12.185 -12.251 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.010 -12.754 -11.138 1.00 0.00 H new ATOM 46 N GLU A 5 10.222 -11.662 -7.897 1.00 0.00 N ATOM 47 CA GLU A 5 9.816 -11.337 -6.536 1.00 0.00 C ATOM 48 C GLU A 5 9.693 -9.830 -6.371 1.00 0.00 C ATOM 49 O GLU A 5 10.693 -9.124 -6.234 1.00 0.00 O ATOM 50 CB GLU A 5 10.808 -11.911 -5.521 1.00 0.00 C ATOM 51 CG GLU A 5 10.882 -13.431 -5.542 1.00 0.00 C ATOM 52 CD GLU A 5 11.828 -13.986 -4.500 1.00 0.00 C ATOM 53 OE1 GLU A 5 11.457 -14.016 -3.308 1.00 0.00 O ATOM 54 OE2 GLU A 5 12.946 -14.397 -4.868 1.00 0.00 O ATOM 0 H GLU A 5 11.220 -11.551 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 5 8.842 -11.789 -6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.799 -11.504 -5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.525 -11.582 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.886 -13.841 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.203 -13.761 -6.530 1.00 0.00 H new ATOM 61 N GLU A 6 8.463 -9.346 -6.409 1.00 0.00 N ATOM 62 CA GLU A 6 8.189 -7.922 -6.305 1.00 0.00 C ATOM 63 C GLU A 6 8.392 -7.431 -4.874 1.00 0.00 C ATOM 64 O GLU A 6 8.088 -8.147 -3.914 1.00 0.00 O ATOM 65 CB GLU A 6 6.765 -7.631 -6.784 1.00 0.00 C ATOM 66 CG GLU A 6 6.529 -8.025 -8.236 1.00 0.00 C ATOM 67 CD GLU A 6 5.118 -7.734 -8.708 1.00 0.00 C ATOM 68 OE1 GLU A 6 4.491 -6.790 -8.182 1.00 0.00 O ATOM 69 OE2 GLU A 6 4.642 -8.428 -9.632 1.00 0.00 O ATOM 0 H GLU A 6 7.630 -9.925 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 6 8.891 -7.383 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.059 -8.166 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.558 -6.567 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.236 -7.491 -8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.734 -9.089 -8.356 1.00 0.00 H new ATOM 76 N VAL A 7 8.912 -6.214 -4.746 1.00 0.00 N ATOM 77 CA VAL A 7 9.228 -5.635 -3.444 1.00 0.00 C ATOM 78 C VAL A 7 7.964 -5.281 -2.662 1.00 0.00 C ATOM 79 O VAL A 7 7.003 -4.731 -3.210 1.00 0.00 O ATOM 80 CB VAL A 7 10.125 -4.380 -3.581 1.00 0.00 C ATOM 81 CG1 VAL A 7 11.493 -4.763 -4.127 1.00 0.00 C ATOM 82 CG2 VAL A 7 9.468 -3.328 -4.472 1.00 0.00 C ATOM 0 H VAL A 7 9.125 -5.605 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 7 9.777 -6.397 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 7 10.253 -3.946 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.112 -3.870 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.971 -5.469 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.377 -5.225 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.120 -2.458 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.300 -3.746 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.514 -3.028 -4.038 1.00 0.00 H new ATOM 92 N VAL A 8 7.973 -5.606 -1.379 1.00 0.00 N ATOM 93 CA VAL A 8 6.826 -5.363 -0.522 1.00 0.00 C ATOM 94 C VAL A 8 7.119 -4.267 0.493 1.00 0.00 C ATOM 95 O VAL A 8 8.222 -4.172 1.030 1.00 0.00 O ATOM 96 CB VAL A 8 6.392 -6.657 0.204 1.00 0.00 C ATOM 97 CG1 VAL A 8 5.361 -6.371 1.291 1.00 0.00 C ATOM 98 CG2 VAL A 8 5.826 -7.646 -0.801 1.00 0.00 C ATOM 0 H VAL A 8 8.766 -6.041 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 8 6.007 -5.031 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 8 7.272 -7.085 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.079 -7.304 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.788 -5.690 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.478 -5.915 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.522 -8.556 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.962 -7.205 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.588 -7.887 -1.543 1.00 0.00 H new ATOM 108 N VAL A 9 6.121 -3.441 0.729 1.00 0.00 N ATOM 109 CA VAL A 9 6.200 -2.363 1.697 1.00 0.00 C ATOM 110 C VAL A 9 5.191 -2.603 2.819 1.00 0.00 C ATOM 111 O VAL A 9 4.491 -3.616 2.818 1.00 0.00 O ATOM 112 CB VAL A 9 5.929 -1.007 1.023 1.00 0.00 C ATOM 113 CG1 VAL A 9 7.119 -0.592 0.172 1.00 0.00 C ATOM 114 CG2 VAL A 9 4.674 -1.098 0.173 1.00 0.00 C ATOM 0 H VAL A 9 5.222 -3.498 0.250 1.00 0.00 H new ATOM 0 HA VAL A 9 7.206 -2.342 2.116 1.00 0.00 H new ATOM 0 HB VAL A 9 5.779 -0.251 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.912 0.369 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.004 -0.505 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.295 -1.343 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.486 -0.135 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.808 -1.861 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.826 -1.363 0.804 1.00 0.00 H new ATOM 124 N VAL A 10 5.099 -1.682 3.762 1.00 0.00 N ATOM 125 CA VAL A 10 4.193 -1.856 4.889 1.00 0.00 C ATOM 126 C VAL A 10 3.520 -0.529 5.242 1.00 0.00 C ATOM 127 O VAL A 10 4.076 0.544 5.004 1.00 0.00 O ATOM 128 CB VAL A 10 4.940 -2.425 6.125 1.00 0.00 C ATOM 129 CG1 VAL A 10 5.990 -1.437 6.633 1.00 0.00 C ATOM 130 CG2 VAL A 10 3.961 -2.815 7.231 1.00 0.00 C ATOM 0 H VAL A 10 5.634 -0.813 3.773 1.00 0.00 H new ATOM 0 HA VAL A 10 3.426 -2.573 4.596 1.00 0.00 H new ATOM 0 HB VAL A 10 5.460 -3.331 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.499 -1.860 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.717 -1.242 5.845 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.504 -0.504 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.514 -3.210 8.083 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.394 -1.937 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.276 -3.576 6.858 1.00 0.00 H new ATOM 140 N ALA A 11 2.319 -0.608 5.782 1.00 0.00 N ATOM 141 CA ALA A 11 1.558 0.577 6.136 1.00 0.00 C ATOM 142 C ALA A 11 1.784 0.995 7.587 1.00 0.00 C ATOM 143 O ALA A 11 1.869 0.154 8.482 1.00 0.00 O ATOM 144 CB ALA A 11 0.084 0.321 5.903 1.00 0.00 C ATOM 0 H ALA A 11 1.845 -1.488 5.987 1.00 0.00 H new ATOM 0 HA ALA A 11 1.904 1.393 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.486 1.211 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.082 0.084 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.242 -0.517 6.520 1.00 0.00 H new ATOM 150 N LYS A 12 1.850 2.304 7.803 1.00 0.00 N ATOM 151 CA LYS A 12 2.003 2.873 9.135 1.00 0.00 C ATOM 152 C LYS A 12 0.659 2.877 9.859 1.00 0.00 C ATOM 153 O LYS A 12 0.533 2.381 10.979 1.00 0.00 O ATOM 154 CB LYS A 12 2.532 4.309 9.031 1.00 0.00 C ATOM 155 CG LYS A 12 2.753 5.001 10.369 1.00 0.00 C ATOM 156 CD LYS A 12 2.890 6.510 10.191 1.00 0.00 C ATOM 157 CE LYS A 12 4.002 6.868 9.218 1.00 0.00 C ATOM 158 NZ LYS A 12 4.014 8.318 8.885 1.00 0.00 N ATOM 0 H LYS A 12 1.799 3.000 7.059 1.00 0.00 H new ATOM 0 HA LYS A 12 2.712 2.266 9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.474 4.296 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.829 4.899 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.918 4.785 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.651 4.605 10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.947 6.920 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.090 6.973 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.963 6.588 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.882 6.288 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.865 8.540 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.167 8.554 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.018 8.876 9.763 1.00 0.00 H new ATOM 172 N PHE A 13 -0.342 3.445 9.199 1.00 0.00 N ATOM 173 CA PHE A 13 -1.697 3.494 9.729 1.00 0.00 C ATOM 174 C PHE A 13 -2.682 3.079 8.652 1.00 0.00 C ATOM 175 O PHE A 13 -2.334 3.039 7.475 1.00 0.00 O ATOM 176 CB PHE A 13 -2.052 4.898 10.235 1.00 0.00 C ATOM 177 CG PHE A 13 -1.393 5.263 11.533 1.00 0.00 C ATOM 178 CD1 PHE A 13 -1.825 4.704 12.725 1.00 0.00 C ATOM 179 CD2 PHE A 13 -0.349 6.169 11.561 1.00 0.00 C ATOM 180 CE1 PHE A 13 -1.223 5.039 13.923 1.00 0.00 C ATOM 181 CE2 PHE A 13 0.257 6.510 12.754 1.00 0.00 C ATOM 182 CZ PHE A 13 -0.181 5.944 13.937 1.00 0.00 C ATOM 0 H PHE A 13 -0.237 3.883 8.284 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.754 2.805 10.572 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.769 5.629 9.477 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.133 4.967 10.356 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.642 3.998 12.718 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.004 6.615 10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.567 4.594 14.845 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.072 7.218 12.763 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.292 6.210 14.871 1.00 0.00 H new ATOM 192 N ASP A 14 -3.897 2.759 9.063 1.00 0.00 N ATOM 193 CA ASP A 14 -4.941 2.356 8.146 1.00 0.00 C ATOM 194 C ASP A 14 -5.407 3.502 7.265 1.00 0.00 C ATOM 195 O ASP A 14 -5.498 4.651 7.697 1.00 0.00 O ATOM 196 CB ASP A 14 -6.122 1.783 8.920 1.00 0.00 C ATOM 197 CG ASP A 14 -6.416 2.539 10.200 1.00 0.00 C ATOM 198 OD1 ASP A 14 -5.819 2.197 11.244 1.00 0.00 O ATOM 199 OD2 ASP A 14 -7.244 3.471 10.175 1.00 0.00 O ATOM 0 H ASP A 14 -4.184 2.772 10.042 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.522 1.591 7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.007 1.798 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.920 0.739 9.160 1.00 0.00 H new ATOM 204 N TYR A 15 -5.682 3.162 6.020 1.00 0.00 N ATOM 205 CA TYR A 15 -6.217 4.098 5.044 1.00 0.00 C ATOM 206 C TYR A 15 -7.318 3.427 4.235 1.00 0.00 C ATOM 207 O TYR A 15 -7.061 2.513 3.451 1.00 0.00 O ATOM 208 CB TYR A 15 -5.107 4.627 4.121 1.00 0.00 C ATOM 209 CG TYR A 15 -5.603 5.212 2.812 1.00 0.00 C ATOM 210 CD1 TYR A 15 -6.441 6.322 2.789 1.00 0.00 C ATOM 211 CD2 TYR A 15 -5.228 4.647 1.595 1.00 0.00 C ATOM 212 CE1 TYR A 15 -6.884 6.853 1.593 1.00 0.00 C ATOM 213 CE2 TYR A 15 -5.670 5.174 0.398 1.00 0.00 C ATOM 214 CZ TYR A 15 -6.498 6.273 0.402 1.00 0.00 C ATOM 215 OH TYR A 15 -6.931 6.806 -0.789 1.00 0.00 O ATOM 0 H TYR A 15 -5.540 2.221 5.653 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.639 4.951 5.575 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.542 5.391 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.416 3.813 3.902 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.750 6.775 3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.581 3.782 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.530 7.719 1.590 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.367 4.726 -0.537 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.569 6.281 -1.533 1.00 0.00 H new ATOM 225 N VAL A 16 -8.540 3.875 4.438 1.00 0.00 N ATOM 226 CA VAL A 16 -9.667 3.350 3.690 1.00 0.00 C ATOM 227 C VAL A 16 -9.814 4.109 2.378 1.00 0.00 C ATOM 228 O VAL A 16 -9.767 5.339 2.356 1.00 0.00 O ATOM 229 CB VAL A 16 -10.983 3.444 4.495 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.133 2.799 3.731 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.820 2.797 5.865 1.00 0.00 C ATOM 0 H VAL A 16 -8.779 4.601 5.114 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.471 2.297 3.490 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.219 4.498 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.049 2.877 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.268 3.309 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.906 1.748 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.757 2.873 6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.555 1.747 5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.031 3.308 6.417 1.00 0.00 H new ATOM 241 N ALA A 17 -10.002 3.378 1.294 1.00 0.00 N ATOM 242 CA ALA A 17 -10.066 3.974 -0.019 1.00 0.00 C ATOM 243 C ALA A 17 -11.505 4.284 -0.360 1.00 0.00 C ATOM 244 O ALA A 17 -12.425 3.695 0.215 1.00 0.00 O ATOM 245 CB ALA A 17 -9.461 3.045 -1.061 1.00 0.00 C ATOM 0 H ALA A 17 -10.113 2.364 1.303 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.489 4.899 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.519 3.513 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.418 2.851 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.012 2.105 -1.074 1.00 0.00 H new ATOM 251 N GLN A 18 -11.700 5.205 -1.279 1.00 0.00 N ATOM 252 CA GLN A 18 -13.035 5.610 -1.663 1.00 0.00 C ATOM 253 C GLN A 18 -13.791 4.439 -2.283 1.00 0.00 C ATOM 254 O GLN A 18 -14.886 4.092 -1.846 1.00 0.00 O ATOM 255 CB GLN A 18 -12.970 6.780 -2.644 1.00 0.00 C ATOM 256 CG GLN A 18 -14.322 7.410 -2.927 1.00 0.00 C ATOM 257 CD GLN A 18 -14.489 7.770 -4.387 1.00 0.00 C ATOM 258 OE1 GLN A 18 -15.005 6.830 -5.158 1.00 0.00 O flip ATOM 259 NE2 GLN A 18 -14.151 8.871 -4.816 1.00 0.00 N flip ATOM 0 H GLN A 18 -10.950 5.688 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.571 5.932 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.300 7.541 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.536 6.433 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.112 6.719 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.438 8.306 -2.318 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.757 9.566 -4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.265 9.090 -5.806 1.00 0.00 H new ATOM 268 N GLN A 19 -13.189 3.832 -3.295 1.00 0.00 N ATOM 269 CA GLN A 19 -13.765 2.672 -3.960 1.00 0.00 C ATOM 270 C GLN A 19 -12.661 1.742 -4.447 1.00 0.00 C ATOM 271 O GLN A 19 -11.479 2.004 -4.214 1.00 0.00 O ATOM 272 CB GLN A 19 -14.653 3.095 -5.135 1.00 0.00 C ATOM 273 CG GLN A 19 -16.072 3.476 -4.738 1.00 0.00 C ATOM 274 CD GLN A 19 -16.816 2.326 -4.080 1.00 0.00 C ATOM 275 OE1 GLN A 19 -16.542 1.159 -4.355 1.00 0.00 O ATOM 276 NE2 GLN A 19 -17.767 2.643 -3.216 1.00 0.00 N ATOM 0 H GLN A 19 -12.291 4.128 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.385 2.142 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.189 3.942 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.696 2.279 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.040 4.324 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.619 3.801 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.966 3.623 -3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.301 1.908 -2.753 1.00 0.00 H new ATOM 285 N GLU A 20 -13.056 0.679 -5.142 1.00 0.00 N ATOM 286 CA GLU A 20 -12.133 -0.345 -5.632 1.00 0.00 C ATOM 287 C GLU A 20 -11.143 0.235 -6.655 1.00 0.00 C ATOM 288 O GLU A 20 -10.102 -0.360 -6.941 1.00 0.00 O ATOM 289 CB GLU A 20 -12.963 -1.507 -6.211 1.00 0.00 C ATOM 290 CG GLU A 20 -12.176 -2.583 -6.937 1.00 0.00 C ATOM 291 CD GLU A 20 -12.234 -2.444 -8.448 1.00 0.00 C ATOM 292 OE1 GLU A 20 -13.335 -2.591 -9.023 1.00 0.00 O ATOM 293 OE2 GLU A 20 -11.178 -2.219 -9.071 1.00 0.00 O ATOM 0 H GLU A 20 -14.031 0.501 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.522 -0.721 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.516 -1.975 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.700 -1.094 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.136 -2.545 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.562 -3.562 -6.653 1.00 0.00 H new ATOM 300 N GLN A 21 -11.473 1.409 -7.181 1.00 0.00 N ATOM 301 CA GLN A 21 -10.595 2.137 -8.095 1.00 0.00 C ATOM 302 C GLN A 21 -9.237 2.463 -7.456 1.00 0.00 C ATOM 303 O GLN A 21 -8.221 2.562 -8.149 1.00 0.00 O ATOM 304 CB GLN A 21 -11.271 3.438 -8.519 1.00 0.00 C ATOM 305 CG GLN A 21 -11.692 4.300 -7.337 1.00 0.00 C ATOM 306 CD GLN A 21 -12.183 5.672 -7.742 1.00 0.00 C ATOM 307 OE1 GLN A 21 -13.374 5.874 -7.977 1.00 0.00 O ATOM 308 NE2 GLN A 21 -11.272 6.628 -7.818 1.00 0.00 N ATOM 0 H GLN A 21 -12.355 1.884 -6.988 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.415 1.496 -8.958 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.589 4.006 -9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.148 3.206 -9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.480 3.788 -6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.847 4.410 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.295 6.418 -7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.547 7.575 -8.080 1.00 0.00 H new ATOM 317 N GLU A 22 -9.228 2.641 -6.140 1.00 0.00 N ATOM 318 CA GLU A 22 -8.020 3.030 -5.422 1.00 0.00 C ATOM 319 C GLU A 22 -7.523 1.880 -4.555 1.00 0.00 C ATOM 320 O GLU A 22 -8.102 0.794 -4.565 1.00 0.00 O ATOM 321 CB GLU A 22 -8.274 4.264 -4.551 1.00 0.00 C ATOM 322 CG GLU A 22 -8.715 5.496 -5.328 1.00 0.00 C ATOM 323 CD GLU A 22 -7.838 5.776 -6.532 1.00 0.00 C ATOM 324 OE1 GLU A 22 -6.599 5.665 -6.416 1.00 0.00 O ATOM 325 OE2 GLU A 22 -8.388 6.094 -7.610 1.00 0.00 O ATOM 0 H GLU A 22 -10.048 2.521 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.256 3.277 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.037 4.022 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.363 4.501 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.745 5.362 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.702 6.362 -4.666 1.00 0.00 H new ATOM 332 N LEU A 23 -6.459 2.120 -3.799 1.00 0.00 N ATOM 333 CA LEU A 23 -5.870 1.075 -2.983 1.00 0.00 C ATOM 334 C LEU A 23 -6.265 1.290 -1.527 1.00 0.00 C ATOM 335 O LEU A 23 -6.099 2.387 -0.992 1.00 0.00 O ATOM 336 CB LEU A 23 -4.343 1.105 -3.121 1.00 0.00 C ATOM 337 CG LEU A 23 -3.637 -0.246 -2.958 1.00 0.00 C ATOM 338 CD1 LEU A 23 -3.623 -0.688 -1.509 1.00 0.00 C ATOM 339 CD2 LEU A 23 -4.311 -1.296 -3.816 1.00 0.00 C ATOM 0 H LEU A 23 -5.991 3.024 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.234 0.104 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.093 1.510 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.942 1.796 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.604 -0.126 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.116 -1.649 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.096 0.053 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.647 -0.786 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.800 -2.251 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.353 -1.400 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.266 -0.995 -4.863 1.00 0.00 H new ATOM 351 N ASP A 24 -6.792 0.256 -0.893 1.00 0.00 N ATOM 352 CA ASP A 24 -7.136 0.335 0.516 1.00 0.00 C ATOM 353 C ASP A 24 -6.059 -0.354 1.338 1.00 0.00 C ATOM 354 O ASP A 24 -5.603 -1.445 0.995 1.00 0.00 O ATOM 355 CB ASP A 24 -8.515 -0.291 0.783 1.00 0.00 C ATOM 356 CG ASP A 24 -8.529 -1.802 0.639 1.00 0.00 C ATOM 357 OD1 ASP A 24 -8.274 -2.304 -0.473 1.00 0.00 O ATOM 358 OD2 ASP A 24 -8.808 -2.494 1.645 1.00 0.00 O ATOM 0 H ASP A 24 -6.990 -0.644 -1.330 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.192 1.383 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.837 -0.026 1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.241 0.139 0.093 1.00 0.00 H new ATOM 363 N ILE A 25 -5.621 0.292 2.403 1.00 0.00 N ATOM 364 CA ILE A 25 -4.555 -0.263 3.218 1.00 0.00 C ATOM 365 C ILE A 25 -4.934 -0.236 4.694 1.00 0.00 C ATOM 366 O ILE A 25 -5.791 0.540 5.114 1.00 0.00 O ATOM 367 CB ILE A 25 -3.207 0.473 3.006 1.00 0.00 C ATOM 368 CG1 ILE A 25 -3.257 1.901 3.533 1.00 0.00 C ATOM 369 CG2 ILE A 25 -2.829 0.485 1.532 1.00 0.00 C ATOM 370 CD1 ILE A 25 -2.146 2.197 4.506 1.00 0.00 C ATOM 0 H ILE A 25 -5.982 1.191 2.722 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.421 -1.296 2.898 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.449 -0.072 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.197 2.596 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.217 2.071 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.880 1.006 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.732 -0.540 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.604 0.997 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.229 3.228 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.220 1.522 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.184 2.055 4.014 1.00 0.00 H new ATOM 382 N LYS A 26 -4.289 -1.083 5.476 1.00 0.00 N ATOM 383 CA LYS A 26 -4.589 -1.208 6.896 1.00 0.00 C ATOM 384 C LYS A 26 -3.312 -1.004 7.694 1.00 0.00 C ATOM 385 O LYS A 26 -2.225 -1.248 7.179 1.00 0.00 O ATOM 386 CB LYS A 26 -5.190 -2.593 7.174 1.00 0.00 C ATOM 387 CG LYS A 26 -5.601 -2.828 8.619 1.00 0.00 C ATOM 388 CD LYS A 26 -6.756 -1.933 9.035 1.00 0.00 C ATOM 389 CE LYS A 26 -7.258 -2.298 10.425 1.00 0.00 C ATOM 390 NZ LYS A 26 -8.395 -1.441 10.858 1.00 0.00 N ATOM 0 H LYS A 26 -3.546 -1.701 5.150 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.315 -0.452 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.062 -2.730 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.463 -3.354 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.886 -3.872 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.748 -2.646 9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.436 -0.891 9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.569 -2.025 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.569 -3.343 10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.441 -2.203 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.702 -1.727 11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.093 -0.446 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.186 -1.550 10.191 1.00 0.00 H new ATOM 404 N LYS A 27 -3.434 -0.537 8.928 1.00 0.00 N ATOM 405 CA LYS A 27 -2.269 -0.343 9.776 1.00 0.00 C ATOM 406 C LYS A 27 -1.504 -1.649 9.930 1.00 0.00 C ATOM 407 O LYS A 27 -2.100 -2.691 10.211 1.00 0.00 O ATOM 408 CB LYS A 27 -2.678 0.188 11.149 1.00 0.00 C ATOM 409 CG LYS A 27 -1.515 0.284 12.124 1.00 0.00 C ATOM 410 CD LYS A 27 -1.897 1.016 13.399 1.00 0.00 C ATOM 411 CE LYS A 27 -0.689 1.224 14.300 1.00 0.00 C ATOM 412 NZ LYS A 27 -0.231 -0.041 14.933 1.00 0.00 N ATOM 0 H LYS A 27 -4.323 -0.287 9.362 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.622 0.394 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.127 1.174 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.444 -0.463 11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.167 -0.719 12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.683 0.800 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.337 1.981 13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.658 0.447 13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.127 1.652 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.938 1.947 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.593 0.152 15.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.999 -0.438 15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.033 -0.723 14.194 1.00 0.00 H new ATOM 426 N ASN A 28 -0.194 -1.581 9.709 1.00 0.00 N ATOM 427 CA ASN A 28 0.693 -2.736 9.857 1.00 0.00 C ATOM 428 C ASN A 28 0.444 -3.761 8.739 1.00 0.00 C ATOM 429 O ASN A 28 0.868 -4.915 8.817 1.00 0.00 O ATOM 430 CB ASN A 28 0.511 -3.354 11.260 1.00 0.00 C ATOM 431 CG ASN A 28 1.433 -4.528 11.548 1.00 0.00 C ATOM 432 OD1 ASN A 28 2.606 -4.348 11.877 1.00 0.00 O ATOM 433 ND2 ASN A 28 0.891 -5.734 11.496 1.00 0.00 N ATOM 0 H ASN A 28 0.284 -0.727 9.423 1.00 0.00 H new ATOM 0 HA ASN A 28 1.729 -2.411 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.680 -2.581 12.010 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.522 -3.683 11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.449 -6.554 11.733 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.085 -5.843 11.219 1.00 0.00 H new ATOM 440 N GLU A 29 -0.219 -3.334 7.671 1.00 0.00 N ATOM 441 CA GLU A 29 -0.490 -4.233 6.563 1.00 0.00 C ATOM 442 C GLU A 29 0.554 -4.051 5.470 1.00 0.00 C ATOM 443 O GLU A 29 1.089 -2.960 5.287 1.00 0.00 O ATOM 444 CB GLU A 29 -1.893 -4.012 6.006 1.00 0.00 C ATOM 445 CG GLU A 29 -2.322 -5.091 5.031 1.00 0.00 C ATOM 446 CD GLU A 29 -2.223 -6.474 5.634 1.00 0.00 C ATOM 447 OE1 GLU A 29 -1.121 -7.070 5.587 1.00 0.00 O ATOM 448 OE2 GLU A 29 -3.237 -6.970 6.164 1.00 0.00 O ATOM 0 H GLU A 29 -0.573 -2.385 7.552 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.435 -5.256 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.603 -3.973 6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.931 -3.044 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.349 -4.906 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.700 -5.040 4.138 1.00 0.00 H new ATOM 455 N ARG A 30 0.836 -5.123 4.753 1.00 0.00 N ATOM 456 CA ARG A 30 1.860 -5.108 3.718 1.00 0.00 C ATOM 457 C ARG A 30 1.247 -4.724 2.376 1.00 0.00 C ATOM 458 O ARG A 30 0.115 -5.104 2.076 1.00 0.00 O ATOM 459 CB ARG A 30 2.510 -6.490 3.608 1.00 0.00 C ATOM 460 CG ARG A 30 1.686 -7.466 2.788 1.00 0.00 C ATOM 461 CD ARG A 30 1.634 -8.845 3.419 1.00 0.00 C ATOM 462 NE ARG A 30 0.806 -8.853 4.622 1.00 0.00 N ATOM 463 CZ ARG A 30 0.657 -9.906 5.417 1.00 0.00 C ATOM 464 NH1 ARG A 30 1.234 -11.062 5.113 1.00 0.00 N ATOM 465 NH2 ARG A 30 -0.096 -9.802 6.503 1.00 0.00 N ATOM 0 H ARG A 30 0.368 -6.022 4.868 1.00 0.00 H new ATOM 0 HA ARG A 30 2.618 -4.372 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.497 -6.387 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.657 -6.897 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.672 -7.080 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.108 -7.543 1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.238 -9.561 2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.644 -9.170 3.669 1.00 0.00 H new ATOM 0 HE ARG A 30 0.311 -7.996 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.795 -11.145 4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.116 -11.868 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.555 -8.918 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.216 -10.606 7.119 1.00 0.00 H new ATOM 479 N LEU A 31 1.988 -3.968 1.581 1.00 0.00 N ATOM 480 CA LEU A 31 1.559 -3.635 0.230 1.00 0.00 C ATOM 481 C LEU A 31 2.680 -3.932 -0.757 1.00 0.00 C ATOM 482 O LEU A 31 3.820 -4.141 -0.365 1.00 0.00 O ATOM 483 CB LEU A 31 1.154 -2.158 0.092 1.00 0.00 C ATOM 484 CG LEU A 31 -0.063 -1.694 0.904 1.00 0.00 C ATOM 485 CD1 LEU A 31 -1.186 -2.718 0.837 1.00 0.00 C ATOM 486 CD2 LEU A 31 0.317 -1.392 2.346 1.00 0.00 C ATOM 0 H LEU A 31 2.890 -3.573 1.847 1.00 0.00 H new ATOM 0 HA LEU A 31 0.684 -4.247 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.008 -1.544 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.956 -1.957 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.426 -0.768 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.036 -2.365 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.491 -2.857 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.837 -3.668 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.567 -1.066 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.722 -2.291 2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.069 -0.603 2.367 1.00 0.00 H new ATOM 498 N TRP A 32 2.350 -3.946 -2.031 1.00 0.00 N ATOM 499 CA TRP A 32 3.342 -4.091 -3.088 1.00 0.00 C ATOM 500 C TRP A 32 3.562 -2.747 -3.753 1.00 0.00 C ATOM 501 O TRP A 32 2.624 -2.147 -4.267 1.00 0.00 O ATOM 502 CB TRP A 32 2.896 -5.125 -4.134 1.00 0.00 C ATOM 503 CG TRP A 32 3.091 -6.549 -3.711 1.00 0.00 C ATOM 504 CD1 TRP A 32 4.124 -7.367 -4.069 1.00 0.00 C ATOM 505 CD2 TRP A 32 2.235 -7.328 -2.865 1.00 0.00 C ATOM 506 NE1 TRP A 32 3.966 -8.605 -3.498 1.00 0.00 N ATOM 507 CE2 TRP A 32 2.815 -8.604 -2.751 1.00 0.00 C ATOM 508 CE3 TRP A 32 1.038 -7.074 -2.187 1.00 0.00 C ATOM 509 CZ2 TRP A 32 2.241 -9.619 -1.992 1.00 0.00 C ATOM 510 CZ3 TRP A 32 0.468 -8.083 -1.434 1.00 0.00 C ATOM 511 CH2 TRP A 32 1.071 -9.340 -1.341 1.00 0.00 C ATOM 0 H TRP A 32 1.391 -3.858 -2.368 1.00 0.00 H new ATOM 0 HA TRP A 32 4.273 -4.444 -2.644 1.00 0.00 H new ATOM 0 HB2 TRP A 32 1.842 -4.966 -4.359 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.449 -4.953 -5.057 1.00 0.00 H new ATOM 0 HD1 TRP A 32 4.946 -7.081 -4.709 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.600 -9.396 -3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.567 -6.104 -2.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.703 -10.593 -1.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.458 -7.897 -0.909 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.603 -10.108 -0.742 1.00 0.00 H new ATOM 522 N LEU A 33 4.788 -2.268 -3.735 1.00 0.00 N ATOM 523 CA LEU A 33 5.078 -0.938 -4.236 1.00 0.00 C ATOM 524 C LEU A 33 5.574 -0.993 -5.677 1.00 0.00 C ATOM 525 O LEU A 33 6.607 -1.597 -5.969 1.00 0.00 O ATOM 526 CB LEU A 33 6.091 -0.245 -3.322 1.00 0.00 C ATOM 527 CG LEU A 33 6.458 1.185 -3.723 1.00 0.00 C ATOM 528 CD1 LEU A 33 5.205 2.030 -3.867 1.00 0.00 C ATOM 529 CD2 LEU A 33 7.382 1.802 -2.692 1.00 0.00 C ATOM 0 H LEU A 33 5.598 -2.776 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 33 4.158 -0.354 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.691 -0.230 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.002 -0.843 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 33 6.974 1.152 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.481 3.045 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.562 1.599 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.671 2.053 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.634 2.819 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.884 1.822 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.294 1.209 -2.619 1.00 0.00 H new ATOM 541 N LEU A 34 4.820 -0.366 -6.576 1.00 0.00 N ATOM 542 CA LEU A 34 5.160 -0.369 -7.995 1.00 0.00 C ATOM 543 C LEU A 34 5.877 0.916 -8.385 1.00 0.00 C ATOM 544 O LEU A 34 6.903 0.883 -9.065 1.00 0.00 O ATOM 545 CB LEU A 34 3.911 -0.538 -8.874 1.00 0.00 C ATOM 546 CG LEU A 34 3.079 -1.805 -8.640 1.00 0.00 C ATOM 547 CD1 LEU A 34 3.974 -3.003 -8.372 1.00 0.00 C ATOM 548 CD2 LEU A 34 2.090 -1.606 -7.503 1.00 0.00 C ATOM 0 H LEU A 34 3.970 0.150 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 34 5.823 -1.218 -8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.266 0.327 -8.721 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.223 -0.522 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 34 2.512 -2.004 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.359 -3.888 -8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.627 -3.168 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.579 -2.814 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.513 -2.519 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.631 -1.370 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.415 -0.786 -7.747 1.00 0.00 H new ATOM 560 N ASP A 35 5.335 2.047 -7.954 1.00 0.00 N ATOM 561 CA ASP A 35 5.902 3.341 -8.308 1.00 0.00 C ATOM 562 C ASP A 35 6.178 4.171 -7.065 1.00 0.00 C ATOM 563 O ASP A 35 5.344 4.248 -6.161 1.00 0.00 O ATOM 564 CB ASP A 35 4.967 4.105 -9.253 1.00 0.00 C ATOM 565 CG ASP A 35 5.551 5.438 -9.682 1.00 0.00 C ATOM 566 OD1 ASP A 35 6.640 5.446 -10.295 1.00 0.00 O ATOM 567 OD2 ASP A 35 4.917 6.483 -9.426 1.00 0.00 O ATOM 0 H ASP A 35 4.507 2.095 -7.361 1.00 0.00 H new ATOM 0 HA ASP A 35 6.846 3.161 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.768 3.496 -10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.010 4.272 -8.758 1.00 0.00 H new ATOM 572 N ASP A 36 7.346 4.795 -7.038 1.00 0.00 N ATOM 573 CA ASP A 36 7.782 5.596 -5.910 1.00 0.00 C ATOM 574 C ASP A 36 8.502 6.837 -6.412 1.00 0.00 C ATOM 575 O ASP A 36 9.715 6.836 -6.636 1.00 0.00 O ATOM 576 CB ASP A 36 8.678 4.771 -4.973 1.00 0.00 C ATOM 577 CG ASP A 36 9.425 5.604 -3.936 1.00 0.00 C ATOM 578 OD1 ASP A 36 8.999 6.735 -3.631 1.00 0.00 O ATOM 579 OD2 ASP A 36 10.455 5.116 -3.425 1.00 0.00 O ATOM 0 H ASP A 36 8.020 4.758 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 36 6.910 5.910 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.064 4.033 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.403 4.220 -5.572 1.00 0.00 H new ATOM 584 N SER A 37 7.719 7.866 -6.668 1.00 0.00 N ATOM 585 CA SER A 37 8.258 9.166 -7.025 1.00 0.00 C ATOM 586 C SER A 37 8.389 10.046 -5.781 1.00 0.00 C ATOM 587 O SER A 37 9.432 10.658 -5.547 1.00 0.00 O ATOM 588 CB SER A 37 7.353 9.831 -8.066 1.00 0.00 C ATOM 589 OG SER A 37 5.996 9.825 -7.647 1.00 0.00 O ATOM 0 H SER A 37 6.700 7.828 -6.635 1.00 0.00 H new ATOM 0 HA SER A 37 9.251 9.037 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.680 10.857 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.445 9.308 -9.018 1.00 0.00 H new ATOM 0 HG SER A 37 5.441 10.257 -8.329 1.00 0.00 H new ATOM 595 N LYS A 38 7.325 10.078 -4.978 1.00 0.00 N ATOM 596 CA LYS A 38 7.297 10.856 -3.745 1.00 0.00 C ATOM 597 C LYS A 38 5.972 10.608 -3.017 1.00 0.00 C ATOM 598 O LYS A 38 5.604 9.462 -2.777 1.00 0.00 O ATOM 599 CB LYS A 38 7.488 12.351 -4.049 1.00 0.00 C ATOM 600 CG LYS A 38 7.815 13.194 -2.825 1.00 0.00 C ATOM 601 CD LYS A 38 8.180 14.611 -3.222 1.00 0.00 C ATOM 602 CE LYS A 38 8.528 15.463 -2.016 1.00 0.00 C ATOM 603 NZ LYS A 38 9.092 16.780 -2.420 1.00 0.00 N ATOM 0 H LYS A 38 6.463 9.566 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 38 8.117 10.541 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.289 12.463 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.579 12.736 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.958 13.211 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.642 12.741 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.027 14.589 -3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.346 15.064 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.635 15.619 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.248 14.934 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.318 17.336 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.957 16.631 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.395 17.295 -2.995 1.00 0.00 H new ATOM 617 N SER A 39 5.257 11.672 -2.681 1.00 0.00 N ATOM 618 CA SER A 39 3.974 11.557 -2.014 1.00 0.00 C ATOM 619 C SER A 39 2.934 10.928 -2.942 1.00 0.00 C ATOM 620 O SER A 39 2.967 11.151 -4.154 1.00 0.00 O ATOM 621 CB SER A 39 3.535 12.942 -1.538 1.00 0.00 C ATOM 622 OG SER A 39 4.052 13.962 -2.382 1.00 0.00 O ATOM 0 H SER A 39 5.550 12.632 -2.863 1.00 0.00 H new ATOM 0 HA SER A 39 4.069 10.900 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.446 12.996 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.877 13.104 -0.516 1.00 0.00 H new ATOM 0 HG SER A 39 3.755 14.837 -2.057 1.00 0.00 H new ATOM 628 N TRP A 40 2.025 10.149 -2.357 1.00 0.00 N ATOM 629 CA TRP A 40 1.026 9.391 -3.111 1.00 0.00 C ATOM 630 C TRP A 40 1.680 8.301 -3.956 1.00 0.00 C ATOM 631 O TRP A 40 2.107 8.536 -5.088 1.00 0.00 O ATOM 632 CB TRP A 40 0.156 10.304 -3.983 1.00 0.00 C ATOM 633 CG TRP A 40 -0.784 11.163 -3.195 1.00 0.00 C ATOM 634 CD1 TRP A 40 -0.644 12.490 -2.907 1.00 0.00 C ATOM 635 CD2 TRP A 40 -2.012 10.747 -2.589 1.00 0.00 C ATOM 636 NE1 TRP A 40 -1.712 12.923 -2.156 1.00 0.00 N ATOM 637 CE2 TRP A 40 -2.565 11.872 -1.948 1.00 0.00 C ATOM 638 CE3 TRP A 40 -2.699 9.531 -2.526 1.00 0.00 C ATOM 639 CZ2 TRP A 40 -3.771 11.815 -1.254 1.00 0.00 C ATOM 640 CZ3 TRP A 40 -3.897 9.477 -1.837 1.00 0.00 C ATOM 641 CH2 TRP A 40 -4.421 10.612 -1.209 1.00 0.00 C ATOM 0 H TRP A 40 1.960 10.025 -1.347 1.00 0.00 H new ATOM 0 HA TRP A 40 0.373 8.911 -2.382 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.803 10.943 -4.584 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.419 9.691 -4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.183 13.109 -3.222 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.847 13.873 -1.810 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.301 8.649 -3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -4.179 12.689 -0.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -4.437 8.543 -1.783 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.358 10.537 -0.678 1.00 0.00 H new ATOM 652 N TRP A 41 1.761 7.111 -3.382 1.00 0.00 N ATOM 653 CA TRP A 41 2.352 5.965 -4.057 1.00 0.00 C ATOM 654 C TRP A 41 1.284 5.128 -4.738 1.00 0.00 C ATOM 655 O TRP A 41 0.137 5.091 -4.298 1.00 0.00 O ATOM 656 CB TRP A 41 3.113 5.084 -3.067 1.00 0.00 C ATOM 657 CG TRP A 41 4.469 5.600 -2.712 1.00 0.00 C ATOM 658 CD1 TRP A 41 5.329 6.266 -3.533 1.00 0.00 C ATOM 659 CD2 TRP A 41 5.139 5.460 -1.457 1.00 0.00 C ATOM 660 NE1 TRP A 41 6.485 6.558 -2.861 1.00 0.00 N ATOM 661 CE2 TRP A 41 6.396 6.076 -1.589 1.00 0.00 C ATOM 662 CE3 TRP A 41 4.800 4.881 -0.232 1.00 0.00 C ATOM 663 CZ2 TRP A 41 7.315 6.127 -0.550 1.00 0.00 C ATOM 664 CZ3 TRP A 41 5.715 4.933 0.803 1.00 0.00 C ATOM 665 CH2 TRP A 41 6.961 5.554 0.639 1.00 0.00 C ATOM 0 H TRP A 41 1.421 6.912 -2.441 1.00 0.00 H new ATOM 0 HA TRP A 41 3.043 6.350 -4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.523 4.986 -2.156 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.215 4.085 -3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.128 6.525 -4.562 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.285 7.057 -3.250 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.842 4.402 -0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.276 6.603 -0.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.465 4.487 1.755 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.654 5.580 1.467 1.00 0.00 H new ATOM 676 N ARG A 42 1.667 4.456 -5.809 1.00 0.00 N ATOM 677 CA ARG A 42 0.781 3.519 -6.472 1.00 0.00 C ATOM 678 C ARG A 42 1.166 2.102 -6.072 1.00 0.00 C ATOM 679 O ARG A 42 2.220 1.595 -6.471 1.00 0.00 O ATOM 680 CB ARG A 42 0.847 3.691 -7.987 1.00 0.00 C ATOM 681 CG ARG A 42 -0.175 2.859 -8.746 1.00 0.00 C ATOM 682 CD ARG A 42 -0.076 3.094 -10.244 1.00 0.00 C ATOM 683 NE ARG A 42 -1.094 2.355 -10.989 1.00 0.00 N ATOM 684 CZ ARG A 42 -0.903 1.850 -12.208 1.00 0.00 C ATOM 685 NH1 ARG A 42 0.272 1.994 -12.814 1.00 0.00 N ATOM 686 NH2 ARG A 42 -1.885 1.195 -12.815 1.00 0.00 N ATOM 0 H ARG A 42 2.588 4.543 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.246 3.714 -6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.698 4.743 -8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.846 3.423 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.019 1.802 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.179 3.109 -8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.180 4.159 -10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.913 2.797 -10.592 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.004 2.218 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.030 2.492 -12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.416 1.607 -13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.785 1.078 -12.349 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.740 0.808 -13.748 1.00 0.00 H new ATOM 700 N VAL A 43 0.328 1.480 -5.263 1.00 0.00 N ATOM 701 CA VAL A 43 0.643 0.181 -4.696 1.00 0.00 C ATOM 702 C VAL A 43 -0.409 -0.859 -5.038 1.00 0.00 C ATOM 703 O VAL A 43 -1.520 -0.529 -5.453 1.00 0.00 O ATOM 704 CB VAL A 43 0.778 0.250 -3.162 1.00 0.00 C ATOM 705 CG1 VAL A 43 2.082 0.918 -2.757 1.00 0.00 C ATOM 706 CG2 VAL A 43 -0.404 0.992 -2.568 1.00 0.00 C ATOM 0 H VAL A 43 -0.579 1.854 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 43 1.596 -0.114 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 43 0.788 -0.768 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.151 0.953 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.922 0.348 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.110 1.932 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.299 1.035 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.437 2.005 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.326 0.470 -2.823 1.00 0.00 H new ATOM 716 N ARG A 44 -0.033 -2.114 -4.858 1.00 0.00 N ATOM 717 CA ARG A 44 -0.926 -3.236 -5.060 1.00 0.00 C ATOM 718 C ARG A 44 -1.068 -4.000 -3.749 1.00 0.00 C ATOM 719 O ARG A 44 -0.074 -4.354 -3.125 1.00 0.00 O ATOM 720 CB ARG A 44 -0.381 -4.149 -6.158 1.00 0.00 C ATOM 721 CG ARG A 44 -1.288 -5.320 -6.473 1.00 0.00 C ATOM 722 CD ARG A 44 -0.722 -6.202 -7.578 1.00 0.00 C ATOM 723 NE ARG A 44 0.626 -6.688 -7.284 1.00 0.00 N ATOM 724 CZ ARG A 44 1.013 -7.954 -7.448 1.00 0.00 C ATOM 725 NH1 ARG A 44 0.157 -8.869 -7.888 1.00 0.00 N ATOM 726 NH2 ARG A 44 2.266 -8.304 -7.202 1.00 0.00 N ATOM 0 H ARG A 44 0.907 -2.382 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.906 -2.875 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.228 -3.563 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.595 -4.527 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.435 -5.917 -5.573 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.268 -4.949 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.385 -7.054 -7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.705 -5.640 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 44 1.311 -6.019 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.805 -8.606 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.461 -9.835 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.938 -7.605 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.559 -9.273 -7.328 1.00 0.00 H new ATOM 740 N ASN A 45 -2.295 -4.225 -3.322 1.00 0.00 N ATOM 741 CA ASN A 45 -2.546 -4.904 -2.051 1.00 0.00 C ATOM 742 C ASN A 45 -2.845 -6.385 -2.269 1.00 0.00 C ATOM 743 O ASN A 45 -2.829 -6.870 -3.402 1.00 0.00 O ATOM 744 CB ASN A 45 -3.708 -4.232 -1.305 1.00 0.00 C ATOM 745 CG ASN A 45 -5.052 -4.390 -2.000 1.00 0.00 C ATOM 746 OD1 ASN A 45 -5.127 -4.609 -3.208 1.00 0.00 O ATOM 747 ND2 ASN A 45 -6.123 -4.260 -1.238 1.00 0.00 N ATOM 0 H ASN A 45 -3.136 -3.951 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.644 -4.825 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.776 -4.652 -0.302 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.490 -3.170 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.053 -4.341 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.020 -4.079 -0.240 1.00 0.00 H new ATOM 754 N SER A 46 -3.136 -7.095 -1.181 1.00 0.00 N ATOM 755 CA SER A 46 -3.401 -8.529 -1.232 1.00 0.00 C ATOM 756 C SER A 46 -4.745 -8.833 -1.897 1.00 0.00 C ATOM 757 O SER A 46 -5.022 -9.973 -2.266 1.00 0.00 O ATOM 758 CB SER A 46 -3.352 -9.100 0.185 1.00 0.00 C ATOM 759 OG SER A 46 -3.900 -8.184 1.120 1.00 0.00 O ATOM 0 H SER A 46 -3.194 -6.694 -0.245 1.00 0.00 H new ATOM 0 HA SER A 46 -2.632 -9.004 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.905 -10.038 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.320 -9.327 0.454 1.00 0.00 H new ATOM 0 HG SER A 46 -3.860 -8.571 2.019 1.00 0.00 H new ATOM 765 N MET A 47 -5.569 -7.802 -2.061 1.00 0.00 N ATOM 766 CA MET A 47 -6.834 -7.932 -2.775 1.00 0.00 C ATOM 767 C MET A 47 -6.579 -7.883 -4.283 1.00 0.00 C ATOM 768 O MET A 47 -7.507 -7.964 -5.089 1.00 0.00 O ATOM 769 CB MET A 47 -7.798 -6.814 -2.346 1.00 0.00 C ATOM 770 CG MET A 47 -9.211 -6.945 -2.905 1.00 0.00 C ATOM 771 SD MET A 47 -10.052 -8.438 -2.343 1.00 0.00 S ATOM 772 CE MET A 47 -11.617 -8.270 -3.196 1.00 0.00 C ATOM 0 H MET A 47 -5.382 -6.864 -1.707 1.00 0.00 H new ATOM 0 HA MET A 47 -7.293 -8.890 -2.530 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.852 -6.797 -1.257 1.00 0.00 H new ATOM 0 HB3 MET A 47 -7.385 -5.855 -2.660 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.795 -6.073 -2.611 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.167 -6.947 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 47 -12.257 -9.119 -2.953 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.105 -7.347 -2.883 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.444 -8.242 -4.272 1.00 0.00 H new ATOM 782 N ASN A 48 -5.296 -7.756 -4.646 1.00 0.00 N ATOM 783 CA ASN A 48 -4.850 -7.761 -6.046 1.00 0.00 C ATOM 784 C ASN A 48 -5.297 -6.491 -6.757 1.00 0.00 C ATOM 785 O ASN A 48 -5.271 -6.401 -7.987 1.00 0.00 O ATOM 786 CB ASN A 48 -5.361 -9.001 -6.796 1.00 0.00 C ATOM 787 CG ASN A 48 -5.035 -10.296 -6.072 1.00 0.00 C ATOM 788 OD1 ASN A 48 -3.958 -10.867 -6.244 1.00 0.00 O ATOM 789 ND2 ASN A 48 -5.974 -10.774 -5.266 1.00 0.00 N ATOM 0 H ASN A 48 -4.536 -7.647 -3.975 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.761 -7.797 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.440 -8.923 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.921 -9.025 -7.793 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.817 -11.646 -4.761 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.853 -10.269 -5.151 1.00 0.00 H new ATOM 796 N LYS A 49 -5.685 -5.503 -5.967 1.00 0.00 N ATOM 797 CA LYS A 49 -6.135 -4.226 -6.485 1.00 0.00 C ATOM 798 C LYS A 49 -4.977 -3.251 -6.538 1.00 0.00 C ATOM 799 O LYS A 49 -3.902 -3.525 -6.000 1.00 0.00 O ATOM 800 CB LYS A 49 -7.268 -3.672 -5.620 1.00 0.00 C ATOM 801 CG LYS A 49 -8.524 -4.531 -5.644 1.00 0.00 C ATOM 802 CD LYS A 49 -9.388 -4.267 -6.875 1.00 0.00 C ATOM 803 CE LYS A 49 -8.665 -4.567 -8.179 1.00 0.00 C ATOM 804 NZ LYS A 49 -9.511 -4.268 -9.363 1.00 0.00 N ATOM 0 H LYS A 49 -5.696 -5.566 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.516 -4.368 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.919 -3.581 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.518 -2.667 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.241 -5.583 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.109 -4.339 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.290 -4.876 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.706 -3.224 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.749 -3.979 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.372 -5.617 -8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.925 -4.289 -10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.265 -4.981 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.936 -3.325 -9.257 1.00 0.00 H new ATOM 818 N THR A 50 -5.180 -2.136 -7.208 1.00 0.00 N ATOM 819 CA THR A 50 -4.146 -1.127 -7.314 1.00 0.00 C ATOM 820 C THR A 50 -4.744 0.271 -7.219 1.00 0.00 C ATOM 821 O THR A 50 -5.894 0.494 -7.599 1.00 0.00 O ATOM 822 CB THR A 50 -3.372 -1.260 -8.635 1.00 0.00 C ATOM 823 OG1 THR A 50 -3.153 -2.650 -8.931 1.00 0.00 O ATOM 824 CG2 THR A 50 -2.035 -0.544 -8.544 1.00 0.00 C ATOM 0 H THR A 50 -6.050 -1.905 -7.687 1.00 0.00 H new ATOM 0 HA THR A 50 -3.456 -1.281 -6.485 1.00 0.00 H new ATOM 0 HB THR A 50 -3.961 -0.804 -9.431 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.661 -2.731 -9.774 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.501 -0.649 -9.488 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.202 0.513 -8.337 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.442 -0.982 -7.741 1.00 0.00 H new ATOM 832 N GLY A 51 -3.956 1.200 -6.712 1.00 0.00 N ATOM 833 CA GLY A 51 -4.420 2.557 -6.531 1.00 0.00 C ATOM 834 C GLY A 51 -3.370 3.423 -5.876 1.00 0.00 C ATOM 835 O GLY A 51 -2.236 2.981 -5.675 1.00 0.00 O ATOM 0 H GLY A 51 -2.993 1.037 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.690 2.981 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.323 2.555 -5.920 1.00 0.00 H new ATOM 839 N PHE A 52 -3.739 4.647 -5.535 1.00 0.00 N ATOM 840 CA PHE A 52 -2.808 5.572 -4.916 1.00 0.00 C ATOM 841 C PHE A 52 -3.070 5.687 -3.423 1.00 0.00 C ATOM 842 O PHE A 52 -4.213 5.826 -2.988 1.00 0.00 O ATOM 843 CB PHE A 52 -2.888 6.948 -5.580 1.00 0.00 C ATOM 844 CG PHE A 52 -2.279 6.989 -6.952 1.00 0.00 C ATOM 845 CD1 PHE A 52 -3.029 6.671 -8.073 1.00 0.00 C ATOM 846 CD2 PHE A 52 -0.949 7.338 -7.117 1.00 0.00 C ATOM 847 CE1 PHE A 52 -2.467 6.707 -9.333 1.00 0.00 C ATOM 848 CE2 PHE A 52 -0.379 7.376 -8.377 1.00 0.00 C ATOM 849 CZ PHE A 52 -1.139 7.058 -9.486 1.00 0.00 C ATOM 0 H PHE A 52 -4.677 5.022 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.801 5.180 -5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.933 7.250 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.385 7.678 -4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.066 6.392 -7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.350 7.583 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.064 6.461 -10.199 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.658 7.654 -8.493 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.696 7.084 -10.471 1.00 0.00 H new ATOM 859 N VAL A 53 -1.999 5.609 -2.649 1.00 0.00 N ATOM 860 CA VAL A 53 -2.085 5.692 -1.198 1.00 0.00 C ATOM 861 C VAL A 53 -1.253 6.853 -0.656 1.00 0.00 C ATOM 862 O VAL A 53 -0.224 7.223 -1.231 1.00 0.00 O ATOM 863 CB VAL A 53 -1.638 4.377 -0.520 1.00 0.00 C ATOM 864 CG1 VAL A 53 -2.570 3.239 -0.895 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.201 4.038 -0.889 1.00 0.00 C ATOM 0 H VAL A 53 -1.051 5.487 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.134 5.866 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.686 4.518 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.239 2.322 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.583 3.477 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.558 3.100 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.091 3.109 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.121 3.920 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.458 4.842 -0.562 1.00 0.00 H new ATOM 875 N PRO A 54 -1.705 7.449 0.455 1.00 0.00 N ATOM 876 CA PRO A 54 -1.039 8.591 1.088 1.00 0.00 C ATOM 877 C PRO A 54 0.271 8.213 1.779 1.00 0.00 C ATOM 878 O PRO A 54 0.314 7.277 2.577 1.00 0.00 O ATOM 879 CB PRO A 54 -2.067 9.057 2.126 1.00 0.00 C ATOM 880 CG PRO A 54 -2.849 7.833 2.451 1.00 0.00 C ATOM 881 CD PRO A 54 -2.929 7.058 1.172 1.00 0.00 C ATOM 0 HA PRO A 54 -0.758 9.349 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.580 9.464 3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.708 9.843 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.360 7.251 3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.843 8.088 2.818 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.961 5.984 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.825 7.311 0.605 1.00 0.00 H new ATOM 889 N SER A 55 1.323 8.978 1.501 1.00 0.00 N ATOM 890 CA SER A 55 2.639 8.741 2.094 1.00 0.00 C ATOM 891 C SER A 55 2.592 8.965 3.602 1.00 0.00 C ATOM 892 O SER A 55 3.435 8.474 4.346 1.00 0.00 O ATOM 893 CB SER A 55 3.673 9.670 1.445 1.00 0.00 C ATOM 894 OG SER A 55 4.966 9.510 2.008 1.00 0.00 O ATOM 0 H SER A 55 1.290 9.774 0.864 1.00 0.00 H new ATOM 0 HA SER A 55 2.929 7.706 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.717 9.470 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.353 10.705 1.563 1.00 0.00 H new ATOM 0 HG SER A 55 5.593 10.119 1.565 1.00 0.00 H new ATOM 900 N ASN A 56 1.585 9.704 4.044 1.00 0.00 N ATOM 901 CA ASN A 56 1.395 9.977 5.461 1.00 0.00 C ATOM 902 C ASN A 56 1.075 8.686 6.215 1.00 0.00 C ATOM 903 O ASN A 56 1.509 8.500 7.354 1.00 0.00 O ATOM 904 CB ASN A 56 0.253 10.987 5.638 1.00 0.00 C ATOM 905 CG ASN A 56 0.204 11.658 7.010 1.00 0.00 C ATOM 906 OD1 ASN A 56 -0.249 12.794 7.127 1.00 0.00 O ATOM 907 ND2 ASN A 56 0.653 10.978 8.055 1.00 0.00 N ATOM 0 H ASN A 56 0.883 10.128 3.437 1.00 0.00 H new ATOM 0 HA ASN A 56 2.315 10.395 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.346 11.759 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.695 10.478 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.628 11.396 8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.024 10.036 7.929 1.00 0.00 H new ATOM 914 N TYR A 57 0.338 7.789 5.565 1.00 0.00 N ATOM 915 CA TYR A 57 -0.179 6.597 6.226 1.00 0.00 C ATOM 916 C TYR A 57 0.605 5.342 5.849 1.00 0.00 C ATOM 917 O TYR A 57 0.532 4.334 6.546 1.00 0.00 O ATOM 918 CB TYR A 57 -1.654 6.402 5.876 1.00 0.00 C ATOM 919 CG TYR A 57 -2.567 7.486 6.414 1.00 0.00 C ATOM 920 CD1 TYR A 57 -2.681 8.710 5.767 1.00 0.00 C ATOM 921 CD2 TYR A 57 -3.321 7.280 7.563 1.00 0.00 C ATOM 922 CE1 TYR A 57 -3.519 9.697 6.248 1.00 0.00 C ATOM 923 CE2 TYR A 57 -4.159 8.265 8.050 1.00 0.00 C ATOM 924 CZ TYR A 57 -4.255 9.470 7.388 1.00 0.00 C ATOM 925 OH TYR A 57 -5.098 10.450 7.862 1.00 0.00 O ATOM 0 H TYR A 57 0.086 7.866 4.580 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.067 6.749 7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.757 6.361 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.984 5.438 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.104 8.893 4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.251 6.336 8.083 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.596 10.642 5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.736 8.091 8.946 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.546 10.132 8.674 1.00 0.00 H new ATOM 935 N VAL A 58 1.346 5.392 4.750 1.00 0.00 N ATOM 936 CA VAL A 58 2.118 4.230 4.307 1.00 0.00 C ATOM 937 C VAL A 58 3.620 4.473 4.476 1.00 0.00 C ATOM 938 O VAL A 58 4.062 5.622 4.537 1.00 0.00 O ATOM 939 CB VAL A 58 1.810 3.860 2.841 1.00 0.00 C ATOM 940 CG1 VAL A 58 0.345 3.530 2.664 1.00 0.00 C ATOM 941 CG2 VAL A 58 2.217 4.972 1.890 1.00 0.00 C ATOM 0 H VAL A 58 1.431 6.214 4.152 1.00 0.00 H new ATOM 0 HA VAL A 58 1.820 3.393 4.938 1.00 0.00 H new ATOM 0 HB VAL A 58 2.398 2.975 2.598 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.153 3.273 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.083 2.685 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.259 4.394 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.986 4.678 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.670 5.882 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.287 5.156 1.982 1.00 0.00 H new ATOM 951 N GLU A 59 4.399 3.394 4.555 1.00 0.00 N ATOM 952 CA GLU A 59 5.829 3.500 4.843 1.00 0.00 C ATOM 953 C GLU A 59 6.660 2.575 3.958 1.00 0.00 C ATOM 954 O GLU A 59 6.143 1.637 3.348 1.00 0.00 O ATOM 955 CB GLU A 59 6.093 3.148 6.310 1.00 0.00 C ATOM 956 CG GLU A 59 5.520 4.150 7.297 1.00 0.00 C ATOM 957 CD GLU A 59 6.380 5.389 7.447 1.00 0.00 C ATOM 958 OE1 GLU A 59 6.585 6.108 6.448 1.00 0.00 O ATOM 959 OE2 GLU A 59 6.841 5.665 8.576 1.00 0.00 O ATOM 0 H GLU A 59 4.065 2.439 4.424 1.00 0.00 H new ATOM 0 HA GLU A 59 6.125 4.529 4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.671 2.165 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.169 3.073 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.522 4.444 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.409 3.671 8.270 1.00 0.00 H new ATOM 966 N ARG A 60 7.952 2.860 3.890 1.00 0.00 N ATOM 967 CA ARG A 60 8.910 1.957 3.276 1.00 0.00 C ATOM 968 C ARG A 60 9.629 1.178 4.366 1.00 0.00 C ATOM 969 O ARG A 60 10.066 1.755 5.363 1.00 0.00 O ATOM 970 CB ARG A 60 9.932 2.724 2.429 1.00 0.00 C ATOM 971 CG ARG A 60 9.407 3.175 1.076 1.00 0.00 C ATOM 972 CD ARG A 60 10.487 3.874 0.261 1.00 0.00 C ATOM 973 NE ARG A 60 11.685 3.046 0.109 1.00 0.00 N ATOM 974 CZ ARG A 60 12.597 3.214 -0.850 1.00 0.00 C ATOM 975 NH1 ARG A 60 12.442 4.151 -1.777 1.00 0.00 N ATOM 976 NH2 ARG A 60 13.665 2.429 -0.891 1.00 0.00 N ATOM 0 H ARG A 60 8.363 3.719 4.257 1.00 0.00 H new ATOM 0 HA ARG A 60 8.372 1.274 2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.266 3.599 2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.807 2.092 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.034 2.312 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.564 3.851 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.092 4.124 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.755 4.813 0.745 1.00 0.00 H new ATOM 0 HE ARG A 60 11.832 2.292 0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.618 4.753 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.146 4.270 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.788 1.698 -0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.363 2.556 -1.623 1.00 0.00 H new ATOM 990 N LYS A 61 9.744 -0.131 4.193 1.00 0.00 N ATOM 991 CA LYS A 61 10.407 -0.963 5.185 1.00 0.00 C ATOM 992 C LYS A 61 11.918 -0.765 5.151 1.00 0.00 C ATOM 993 O LYS A 61 12.620 -1.355 4.331 1.00 0.00 O ATOM 994 CB LYS A 61 10.036 -2.448 5.016 1.00 0.00 C ATOM 995 CG LYS A 61 9.645 -2.856 3.598 1.00 0.00 C ATOM 996 CD LYS A 61 10.839 -2.993 2.657 1.00 0.00 C ATOM 997 CE LYS A 61 11.645 -4.264 2.914 1.00 0.00 C ATOM 998 NZ LYS A 61 12.584 -4.135 4.063 1.00 0.00 N ATOM 0 H LYS A 61 9.389 -0.636 3.381 1.00 0.00 H new ATOM 0 HA LYS A 61 10.052 -0.647 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.882 -3.057 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.208 -2.679 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.110 -3.805 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.955 -2.117 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.486 -2.993 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.489 -2.125 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.960 -5.090 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.210 -4.517 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.457 -4.663 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.813 -3.132 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.139 -4.520 4.920 1.00 0.00 H new ATOM 1012 N ASN A 62 12.409 0.096 6.037 1.00 0.00 N ATOM 1013 CA ASN A 62 13.843 0.329 6.165 1.00 0.00 C ATOM 1014 C ASN A 62 14.538 -0.977 6.515 1.00 0.00 C ATOM 1015 O ASN A 62 15.612 -1.285 6.003 1.00 0.00 O ATOM 1016 CB ASN A 62 14.117 1.392 7.236 1.00 0.00 C ATOM 1017 CG ASN A 62 15.510 1.987 7.128 1.00 0.00 C ATOM 1018 OD1 ASN A 62 15.727 2.942 6.381 1.00 0.00 O ATOM 1019 ND2 ASN A 62 16.453 1.459 7.890 1.00 0.00 N ATOM 0 H ASN A 62 11.834 0.644 6.677 1.00 0.00 H new ATOM 0 HA ASN A 62 14.235 0.696 5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.378 2.189 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.992 0.948 8.223 1.00 0.00 H new ATOM 0 HD21 ASN A 62 17.398 1.843 7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.235 0.668 8.496 1.00 0.00 H new ATOM 1026 N SER A 63 13.891 -1.750 7.372 1.00 0.00 N ATOM 1027 CA SER A 63 14.338 -3.090 7.687 1.00 0.00 C ATOM 1028 C SER A 63 13.134 -4.023 7.784 1.00 0.00 C ATOM 1029 O SER A 63 12.699 -4.542 6.735 1.00 0.00 O ATOM 1030 CB SER A 63 15.144 -3.093 8.989 1.00 0.00 C ATOM 1031 OG SER A 63 14.450 -2.415 10.024 1.00 0.00 O ATOM 0 H SER A 63 13.045 -1.465 7.865 1.00 0.00 H new ATOM 0 HA SER A 63 14.991 -3.447 6.891 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.343 -4.120 9.294 1.00 0.00 H new ATOM 0 HB3 SER A 63 16.110 -2.617 8.823 1.00 0.00 H new ATOM 0 HG SER A 63 14.986 -2.433 10.844 1.00 0.00 H new TER 1037 SER A 63