USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 37 TYR OH : rot 86:sc= 0.977 USER MOD Set 1.2: A 75 MET CE :methyl -129:sc= -1.29 (180deg=-8.9!) USER MOD Set 2.1: A 22 THR OG1 : rot -58:sc= 1.23 USER MOD Set 2.2: A 25 THR OG1 : rot -40:sc= 1.24 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 159:sc= 0.841 (180deg=-0.372) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.617 K(o=0.22,f=-6.8) USER MOD Set 4.1: A 13 MET CE :methyl 156:sc= -0.124 (180deg=-0.733) USER MOD Set 4.2: A 63 HIS : no HD1:sc=-0.00111 X(o=-0.13,f=-0.62) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.64 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0705 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.19 K(o=1.2,f=-0.032) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 151:sc= 1.26 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -143:sc= 0 (180deg=-1.18) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0128 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -4.884 14.493 4.345 1.00 0.00 N ATOM 30 CA TYR A 3 -5.796 13.568 3.685 1.00 0.00 C ATOM 31 C TYR A 3 -7.002 14.285 3.088 1.00 0.00 C ATOM 32 O TYR A 3 -7.103 15.513 3.126 1.00 0.00 O ATOM 33 CB TYR A 3 -6.313 12.560 4.715 1.00 0.00 C ATOM 34 CG TYR A 3 -5.245 11.857 5.507 1.00 0.00 C ATOM 35 CD1 TYR A 3 -4.120 11.325 4.864 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.400 11.740 6.895 1.00 0.00 C ATOM 37 CE1 TYR A 3 -3.151 10.644 5.612 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.428 11.071 7.648 1.00 0.00 C ATOM 39 CZ TYR A 3 -3.308 10.505 7.007 1.00 0.00 C ATOM 40 OH TYR A 3 -2.390 9.823 7.746 1.00 0.00 O ATOM 0 HA TYR A 3 -5.246 13.079 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.976 13.078 5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.914 11.811 4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.000 11.439 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.266 12.164 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.285 10.226 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.536 10.989 8.719 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.659 9.829 8.688 1.00 0.00 H new ATOM 50 N GLY A 4 -7.919 13.485 2.544 1.00 0.00 N ATOM 51 CA GLY A 4 -9.192 13.929 2.012 1.00 0.00 C ATOM 52 C GLY A 4 -10.109 12.721 1.866 1.00 0.00 C ATOM 53 O GLY A 4 -9.660 11.577 1.940 1.00 0.00 O ATOM 0 H GLY A 4 -7.784 12.477 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.642 14.667 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.049 14.414 1.046 1.00 0.00 H new ATOM 57 N ARG A 5 -11.403 12.974 1.664 1.00 0.00 N ATOM 58 CA ARG A 5 -12.409 11.929 1.557 1.00 0.00 C ATOM 59 C ARG A 5 -12.062 10.923 0.457 1.00 0.00 C ATOM 60 O ARG A 5 -11.471 11.285 -0.560 1.00 0.00 O ATOM 61 CB ARG A 5 -13.772 12.580 1.302 1.00 0.00 C ATOM 62 CG ARG A 5 -13.782 13.323 -0.041 1.00 0.00 C ATOM 63 CD ARG A 5 -15.090 14.081 -0.222 1.00 0.00 C ATOM 64 NE ARG A 5 -15.124 14.801 -1.498 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.213 16.131 -1.618 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.279 16.917 -0.545 1.00 0.00 N ATOM 67 NH2 ARG A 5 -15.242 16.682 -2.827 1.00 0.00 N ATOM 0 H ARG A 5 -11.780 13.917 1.570 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.442 11.369 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.550 11.817 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.004 13.276 2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.943 14.018 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.651 12.613 -0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.925 13.382 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.219 14.787 0.598 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.076 14.250 -2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.262 16.507 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.346 17.929 -0.657 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.197 16.092 -3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.310 17.695 -2.924 1.00 0.00 H new ATOM 81 N PRO A 6 -12.439 9.656 0.657 1.00 0.00 N ATOM 82 CA PRO A 6 -12.311 8.600 -0.326 1.00 0.00 C ATOM 83 C PRO A 6 -13.344 8.793 -1.432 1.00 0.00 C ATOM 84 O PRO A 6 -14.298 9.550 -1.259 1.00 0.00 O ATOM 85 CB PRO A 6 -12.561 7.309 0.461 1.00 0.00 C ATOM 86 CG PRO A 6 -13.508 7.751 1.574 1.00 0.00 C ATOM 87 CD PRO A 6 -13.037 9.173 1.887 1.00 0.00 C ATOM 0 HA PRO A 6 -11.337 8.586 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.009 6.537 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.635 6.897 0.861 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.548 7.733 1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.436 7.101 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.870 9.805 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.315 9.178 2.704 1.00 0.00 H new ATOM 95 N PRO A 7 -13.177 8.118 -2.578 1.00 0.00 N ATOM 96 CA PRO A 7 -14.121 8.207 -3.675 1.00 0.00 C ATOM 97 C PRO A 7 -15.426 7.499 -3.311 1.00 0.00 C ATOM 98 O PRO A 7 -15.436 6.624 -2.446 1.00 0.00 O ATOM 99 CB PRO A 7 -13.416 7.535 -4.855 1.00 0.00 C ATOM 100 CG PRO A 7 -12.487 6.522 -4.185 1.00 0.00 C ATOM 101 CD PRO A 7 -12.074 7.232 -2.897 1.00 0.00 C ATOM 0 HA PRO A 7 -14.396 9.234 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.127 7.048 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.859 8.256 -5.453 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.997 5.580 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.626 6.289 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.898 6.517 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.148 7.790 -3.035 1.00 0.00 H new ATOM 109 N PRO A 8 -16.534 7.865 -3.962 1.00 0.00 N ATOM 110 CA PRO A 8 -17.852 7.301 -3.715 1.00 0.00 C ATOM 111 C PRO A 8 -18.071 5.981 -4.454 1.00 0.00 C ATOM 112 O PRO A 8 -19.208 5.518 -4.550 1.00 0.00 O ATOM 113 CB PRO A 8 -18.813 8.361 -4.250 1.00 0.00 C ATOM 114 CG PRO A 8 -18.055 8.926 -5.448 1.00 0.00 C ATOM 115 CD PRO A 8 -16.599 8.904 -4.977 1.00 0.00 C ATOM 0 HA PRO A 8 -17.993 7.071 -2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.770 7.929 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.024 9.129 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.200 8.317 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.384 9.936 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.922 8.688 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.304 9.871 -4.568 1.00 0.00 H new ATOM 123 N ASP A 9 -17.009 5.362 -4.976 1.00 0.00 N ATOM 124 CA ASP A 9 -17.141 4.181 -5.816 1.00 0.00 C ATOM 125 C ASP A 9 -16.080 3.133 -5.484 1.00 0.00 C ATOM 126 O ASP A 9 -15.672 2.359 -6.348 1.00 0.00 O ATOM 127 CB ASP A 9 -17.091 4.612 -7.285 1.00 0.00 C ATOM 128 CG ASP A 9 -17.507 3.487 -8.234 1.00 0.00 C ATOM 129 OD1 ASP A 9 -18.403 2.702 -7.854 1.00 0.00 O ATOM 130 OD2 ASP A 9 -16.926 3.424 -9.340 1.00 0.00 O ATOM 0 H ASP A 9 -16.046 5.665 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.101 3.703 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.747 5.470 -7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.080 4.938 -7.532 1.00 0.00 H new ATOM 135 N VAL A 10 -15.623 3.104 -4.228 1.00 0.00 N ATOM 136 CA VAL A 10 -14.639 2.120 -3.775 1.00 0.00 C ATOM 137 C VAL A 10 -15.119 0.694 -4.054 1.00 0.00 C ATOM 138 O VAL A 10 -14.309 -0.216 -4.209 1.00 0.00 O ATOM 139 CB VAL A 10 -14.367 2.308 -2.277 1.00 0.00 C ATOM 140 CG1 VAL A 10 -13.315 1.319 -1.770 1.00 0.00 C ATOM 141 CG2 VAL A 10 -13.851 3.718 -2.003 1.00 0.00 C ATOM 0 H VAL A 10 -15.923 3.757 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.714 2.277 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.310 2.136 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.147 1.481 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.666 0.300 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.381 1.471 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.663 3.836 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.925 3.880 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.596 4.447 -2.322 1.00 0.00 H new ATOM 151 N GLU A 11 -16.440 0.489 -4.119 1.00 0.00 N ATOM 152 CA GLU A 11 -17.037 -0.819 -4.357 1.00 0.00 C ATOM 153 C GLU A 11 -16.876 -1.265 -5.810 1.00 0.00 C ATOM 154 O GLU A 11 -17.336 -2.348 -6.175 1.00 0.00 O ATOM 155 CB GLU A 11 -18.523 -0.770 -3.990 1.00 0.00 C ATOM 156 CG GLU A 11 -18.695 -0.315 -2.542 1.00 0.00 C ATOM 157 CD GLU A 11 -20.168 -0.312 -2.145 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.639 -1.362 -1.654 1.00 0.00 O ATOM 159 OE2 GLU A 11 -20.818 0.742 -2.332 1.00 0.00 O ATOM 0 H GLU A 11 -17.125 1.236 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.518 -1.546 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.048 -0.087 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.971 -1.755 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.137 -0.977 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.279 0.685 -2.419 1.00 0.00 H new ATOM 166 N GLY A 12 -16.235 -0.440 -6.638 1.00 0.00 N ATOM 167 CA GLY A 12 -16.060 -0.708 -8.058 1.00 0.00 C ATOM 168 C GLY A 12 -14.591 -0.893 -8.442 1.00 0.00 C ATOM 169 O GLY A 12 -14.292 -1.074 -9.620 1.00 0.00 O ATOM 0 H GLY A 12 -15.820 0.441 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.618 -1.605 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.482 0.115 -8.635 1.00 0.00 H new ATOM 173 N MET A 13 -13.677 -0.846 -7.467 1.00 0.00 N ATOM 174 CA MET A 13 -12.248 -1.022 -7.710 1.00 0.00 C ATOM 175 C MET A 13 -11.605 -1.817 -6.577 1.00 0.00 C ATOM 176 O MET A 13 -12.258 -2.155 -5.589 1.00 0.00 O ATOM 177 CB MET A 13 -11.541 0.333 -7.838 1.00 0.00 C ATOM 178 CG MET A 13 -11.975 1.140 -9.063 1.00 0.00 C ATOM 179 SD MET A 13 -13.478 2.126 -8.852 1.00 0.00 S ATOM 180 CE MET A 13 -12.883 3.295 -7.605 1.00 0.00 C ATOM 0 H MET A 13 -13.911 -0.685 -6.487 1.00 0.00 H new ATOM 0 HA MET A 13 -12.139 -1.570 -8.646 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.734 0.920 -6.940 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.465 0.168 -7.885 1.00 0.00 H new ATOM 0 HG2 MET A 13 -11.160 1.807 -9.345 1.00 0.00 H new ATOM 0 HG3 MET A 13 -12.126 0.452 -9.895 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.476 4.209 -7.651 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.978 2.850 -6.615 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.837 3.531 -7.798 1.00 0.00 H new ATOM 190 N THR A 14 -10.311 -2.117 -6.723 1.00 0.00 N ATOM 191 CA THR A 14 -9.546 -2.818 -5.702 1.00 0.00 C ATOM 192 C THR A 14 -9.314 -1.910 -4.491 1.00 0.00 C ATOM 193 O THR A 14 -9.679 -0.735 -4.511 1.00 0.00 O ATOM 194 CB THR A 14 -8.230 -3.346 -6.291 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.560 -4.129 -5.329 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.311 -2.215 -6.738 1.00 0.00 C ATOM 0 H THR A 14 -9.770 -1.878 -7.554 1.00 0.00 H new ATOM 0 HA THR A 14 -10.116 -3.680 -5.355 1.00 0.00 H new ATOM 0 HB THR A 14 -8.480 -3.946 -7.166 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.721 -4.466 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.392 -2.634 -7.148 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.811 -1.620 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.072 -1.582 -5.884 1.00 0.00 H new ATOM 203 N SER A 15 -8.713 -2.461 -3.434 1.00 0.00 N ATOM 204 CA SER A 15 -8.522 -1.786 -2.155 1.00 0.00 C ATOM 205 C SER A 15 -7.242 -2.296 -1.494 1.00 0.00 C ATOM 206 O SER A 15 -7.244 -2.674 -0.323 1.00 0.00 O ATOM 207 CB SER A 15 -9.735 -2.048 -1.267 1.00 0.00 C ATOM 208 OG SER A 15 -10.870 -1.382 -1.774 1.00 0.00 O ATOM 0 H SER A 15 -8.339 -3.410 -3.447 1.00 0.00 H new ATOM 0 HA SER A 15 -8.424 -0.711 -2.308 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.929 -3.119 -1.212 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.530 -1.709 -0.252 1.00 0.00 H new ATOM 0 HG SER A 15 -11.640 -1.561 -1.195 1.00 0.00 H new ATOM 214 N LEU A 16 -6.142 -2.310 -2.248 1.00 0.00 N ATOM 215 CA LEU A 16 -4.858 -2.846 -1.809 1.00 0.00 C ATOM 216 C LEU A 16 -4.305 -2.018 -0.657 1.00 0.00 C ATOM 217 O LEU A 16 -3.726 -0.963 -0.900 1.00 0.00 O ATOM 218 CB LEU A 16 -3.922 -2.811 -3.023 1.00 0.00 C ATOM 219 CG LEU A 16 -2.560 -3.490 -2.857 1.00 0.00 C ATOM 220 CD1 LEU A 16 -1.498 -2.500 -2.392 1.00 0.00 C ATOM 221 CD2 LEU A 16 -2.593 -4.684 -1.910 1.00 0.00 C ATOM 0 H LEU A 16 -6.121 -1.941 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.960 -3.867 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.436 -3.278 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.753 -1.769 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.300 -3.865 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.543 -3.015 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.399 -1.701 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.792 -2.075 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.596 -5.119 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.919 -4.356 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.288 -5.432 -2.292 1.00 0.00 H new ATOM 233 N LYS A 17 -4.474 -2.467 0.592 1.00 0.00 N ATOM 234 CA LYS A 17 -4.062 -1.665 1.738 1.00 0.00 C ATOM 235 C LYS A 17 -2.627 -1.958 2.168 1.00 0.00 C ATOM 236 O LYS A 17 -2.000 -2.884 1.662 1.00 0.00 O ATOM 237 CB LYS A 17 -5.054 -1.785 2.901 1.00 0.00 C ATOM 238 CG LYS A 17 -4.867 -3.012 3.796 1.00 0.00 C ATOM 239 CD LYS A 17 -5.684 -2.800 5.071 1.00 0.00 C ATOM 240 CE LYS A 17 -5.438 -3.913 6.086 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.020 -3.985 6.486 1.00 0.00 N ATOM 0 H LYS A 17 -4.888 -3.369 0.828 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.075 -0.624 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.975 -0.890 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.065 -1.803 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.196 -3.914 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.813 -3.149 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.425 -1.838 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.745 -2.761 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.056 -3.744 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.745 -4.868 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.941 -4.477 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.482 -4.505 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.636 -3.023 6.578 1.00 0.00 H new ATOM 255 N VAL A 18 -2.115 -1.157 3.108 1.00 0.00 N ATOM 256 CA VAL A 18 -0.723 -1.167 3.537 1.00 0.00 C ATOM 257 C VAL A 18 -0.615 -0.793 5.016 1.00 0.00 C ATOM 258 O VAL A 18 -1.311 0.121 5.459 1.00 0.00 O ATOM 259 CB VAL A 18 -0.006 -0.069 2.759 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.425 0.135 3.244 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.014 -0.276 1.244 1.00 0.00 C ATOM 0 H VAL A 18 -2.679 -0.466 3.602 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.300 -2.158 3.371 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.584 0.832 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.897 0.926 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.416 0.416 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.987 -0.791 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.515 0.546 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.480 -1.217 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.043 -0.305 0.886 1.00 0.00 H new ATOM 271 N ASP A 19 0.255 -1.491 5.758 1.00 0.00 N ATOM 272 CA ASP A 19 0.476 -1.268 7.181 1.00 0.00 C ATOM 273 C ASP A 19 1.886 -1.695 7.623 1.00 0.00 C ATOM 274 O ASP A 19 2.644 -2.247 6.825 1.00 0.00 O ATOM 275 CB ASP A 19 -0.582 -2.053 7.965 1.00 0.00 C ATOM 276 CG ASP A 19 -0.459 -3.563 7.779 1.00 0.00 C ATOM 277 OD1 ASP A 19 -0.982 -4.069 6.762 1.00 0.00 O ATOM 278 OD2 ASP A 19 0.157 -4.202 8.663 1.00 0.00 O ATOM 0 H ASP A 19 0.832 -2.239 5.373 1.00 0.00 H new ATOM 0 HA ASP A 19 0.391 -0.200 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.493 -1.814 9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.574 -1.732 7.648 1.00 0.00 H new ATOM 283 N ASN A 20 2.216 -1.427 8.897 1.00 0.00 N ATOM 284 CA ASN A 20 3.394 -1.918 9.623 1.00 0.00 C ATOM 285 C ASN A 20 4.534 -0.895 9.749 1.00 0.00 C ATOM 286 O ASN A 20 5.670 -1.281 10.018 1.00 0.00 O ATOM 287 CB ASN A 20 3.914 -3.253 9.068 1.00 0.00 C ATOM 288 CG ASN A 20 4.438 -4.134 10.196 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.662 -4.700 10.962 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.754 -4.270 10.321 1.00 0.00 N ATOM 0 H ASN A 20 1.632 -0.827 9.480 1.00 0.00 H new ATOM 0 HA ASN A 20 3.030 -2.090 10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.114 -3.769 8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.708 -3.068 8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.138 -4.854 11.064 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.380 -3.791 9.674 1.00 0.00 H new ATOM 297 N LEU A 21 4.256 0.401 9.563 1.00 0.00 N ATOM 298 CA LEU A 21 5.268 1.446 9.672 1.00 0.00 C ATOM 299 C LEU A 21 5.968 1.476 11.043 1.00 0.00 C ATOM 300 O LEU A 21 5.631 0.715 11.952 1.00 0.00 O ATOM 301 CB LEU A 21 4.664 2.813 9.332 1.00 0.00 C ATOM 302 CG LEU A 21 3.395 3.206 10.097 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.443 2.885 11.586 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.160 4.710 9.976 1.00 0.00 C ATOM 0 H LEU A 21 3.325 0.749 9.334 1.00 0.00 H new ATOM 0 HA LEU A 21 6.044 1.207 8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.422 3.576 9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.440 2.832 8.265 1.00 0.00 H new ATOM 0 HG LEU A 21 2.595 2.619 9.645 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.509 3.193 12.055 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.581 1.812 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.274 3.419 12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.257 4.982 10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.012 5.246 10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.043 4.977 8.926 1.00 0.00 H new ATOM 316 N THR A 22 6.947 2.373 11.190 1.00 0.00 N ATOM 317 CA THR A 22 7.702 2.532 12.428 1.00 0.00 C ATOM 318 C THR A 22 7.123 3.660 13.273 1.00 0.00 C ATOM 319 O THR A 22 6.292 4.442 12.808 1.00 0.00 O ATOM 320 CB THR A 22 9.165 2.866 12.131 1.00 0.00 C ATOM 321 OG1 THR A 22 9.258 4.172 11.606 1.00 0.00 O ATOM 322 CG2 THR A 22 9.770 1.881 11.140 1.00 0.00 C ATOM 0 H THR A 22 7.237 3.010 10.448 1.00 0.00 H new ATOM 0 HA THR A 22 7.637 1.589 12.970 1.00 0.00 H new ATOM 0 HB THR A 22 9.721 2.798 13.066 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.712 4.238 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.810 2.147 10.951 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.723 0.874 11.553 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.211 1.916 10.205 1.00 0.00 H new ATOM 329 N TYR A 23 7.572 3.744 14.527 1.00 0.00 N ATOM 330 CA TYR A 23 7.168 4.798 15.447 1.00 0.00 C ATOM 331 C TYR A 23 7.739 6.160 15.041 1.00 0.00 C ATOM 332 O TYR A 23 7.595 7.132 15.781 1.00 0.00 O ATOM 333 CB TYR A 23 7.607 4.422 16.862 1.00 0.00 C ATOM 334 CG TYR A 23 9.108 4.352 17.065 1.00 0.00 C ATOM 335 CD1 TYR A 23 9.820 3.192 16.705 1.00 0.00 C ATOM 336 CD2 TYR A 23 9.787 5.450 17.615 1.00 0.00 C ATOM 337 CE1 TYR A 23 11.210 3.139 16.884 1.00 0.00 C ATOM 338 CE2 TYR A 23 11.175 5.395 17.798 1.00 0.00 C ATOM 339 CZ TYR A 23 11.893 4.240 17.435 1.00 0.00 C ATOM 340 OH TYR A 23 13.245 4.188 17.612 1.00 0.00 O ATOM 0 H TYR A 23 8.230 3.077 14.931 1.00 0.00 H new ATOM 0 HA TYR A 23 6.083 4.891 15.414 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.194 5.149 17.561 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.175 3.454 17.116 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.296 2.343 16.291 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.240 6.337 17.897 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.757 2.253 16.599 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.696 6.242 18.219 1.00 0.00 H new ATOM 0 HH TYR A 23 13.557 5.031 18.002 1.00 0.00 H new ATOM 350 N ARG A 24 8.387 6.242 13.871 1.00 0.00 N ATOM 351 CA ARG A 24 9.007 7.466 13.375 1.00 0.00 C ATOM 352 C ARG A 24 8.548 7.790 11.956 1.00 0.00 C ATOM 353 O ARG A 24 8.857 8.863 11.442 1.00 0.00 O ATOM 354 CB ARG A 24 10.531 7.306 13.390 1.00 0.00 C ATOM 355 CG ARG A 24 11.097 7.058 14.788 1.00 0.00 C ATOM 356 CD ARG A 24 10.797 8.225 15.723 1.00 0.00 C ATOM 357 NE ARG A 24 11.427 9.466 15.255 1.00 0.00 N ATOM 358 CZ ARG A 24 11.120 10.683 15.716 1.00 0.00 C ATOM 359 NH1 ARG A 24 10.195 10.845 16.658 1.00 0.00 N ATOM 360 NH2 ARG A 24 11.743 11.757 15.235 1.00 0.00 N ATOM 0 H ARG A 24 8.493 5.448 13.239 1.00 0.00 H new ATOM 0 HA ARG A 24 8.705 8.287 14.026 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.809 6.476 12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.988 8.204 12.974 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.671 6.142 15.198 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.175 6.908 14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.719 8.368 15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.154 7.990 16.726 1.00 0.00 H new ATOM 0 HE ARG A 24 12.144 9.395 14.533 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.708 10.034 17.040 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.973 11.780 16.999 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.456 11.652 14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.507 12.684 15.588 1.00 0.00 H new ATOM 374 N THR A 25 7.814 6.873 11.314 1.00 0.00 N ATOM 375 CA THR A 25 7.266 7.095 9.982 1.00 0.00 C ATOM 376 C THR A 25 6.122 8.105 10.052 1.00 0.00 C ATOM 377 O THR A 25 5.566 8.350 11.121 1.00 0.00 O ATOM 378 CB THR A 25 6.763 5.761 9.414 1.00 0.00 C ATOM 379 OG1 THR A 25 7.822 4.827 9.389 1.00 0.00 O ATOM 380 CG2 THR A 25 6.239 5.893 7.988 1.00 0.00 C ATOM 0 H THR A 25 7.587 5.960 11.707 1.00 0.00 H new ATOM 0 HA THR A 25 8.042 7.494 9.329 1.00 0.00 H new ATOM 0 HB THR A 25 5.949 5.434 10.061 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.647 5.275 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.896 4.920 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.409 6.599 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.037 6.254 7.339 1.00 0.00 H new ATOM 387 N SER A 26 5.766 8.689 8.904 1.00 0.00 N ATOM 388 CA SER A 26 4.678 9.647 8.800 1.00 0.00 C ATOM 389 C SER A 26 3.898 9.390 7.515 1.00 0.00 C ATOM 390 O SER A 26 4.439 8.826 6.564 1.00 0.00 O ATOM 391 CB SER A 26 5.254 11.068 8.811 1.00 0.00 C ATOM 392 OG SER A 26 5.918 11.311 10.032 1.00 0.00 O ATOM 0 H SER A 26 6.234 8.504 8.017 1.00 0.00 H new ATOM 0 HA SER A 26 3.999 9.537 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.947 11.195 7.979 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.454 11.795 8.672 1.00 0.00 H new ATOM 0 HG SER A 26 6.284 12.220 10.030 1.00 0.00 H new ATOM 398 N PRO A 27 2.622 9.792 7.463 1.00 0.00 N ATOM 399 CA PRO A 27 1.743 9.499 6.345 1.00 0.00 C ATOM 400 C PRO A 27 2.098 10.311 5.107 1.00 0.00 C ATOM 401 O PRO A 27 1.726 9.923 4.002 1.00 0.00 O ATOM 402 CB PRO A 27 0.346 9.859 6.839 1.00 0.00 C ATOM 403 CG PRO A 27 0.606 10.966 7.861 1.00 0.00 C ATOM 404 CD PRO A 27 1.927 10.539 8.493 1.00 0.00 C ATOM 0 HA PRO A 27 1.826 8.455 6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.291 10.205 6.025 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.153 9.003 7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.682 11.945 7.387 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.193 11.031 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.508 11.404 8.811 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.759 9.925 9.378 1.00 0.00 H new ATOM 412 N ASP A 28 2.813 11.429 5.265 1.00 0.00 N ATOM 413 CA ASP A 28 3.239 12.219 4.123 1.00 0.00 C ATOM 414 C ASP A 28 4.383 11.484 3.438 1.00 0.00 C ATOM 415 O ASP A 28 4.587 11.608 2.227 1.00 0.00 O ATOM 416 CB ASP A 28 3.708 13.594 4.594 1.00 0.00 C ATOM 417 CG ASP A 28 2.570 14.365 5.256 1.00 0.00 C ATOM 418 OD1 ASP A 28 1.760 14.950 4.505 1.00 0.00 O ATOM 419 OD2 ASP A 28 2.518 14.365 6.507 1.00 0.00 O ATOM 0 H ASP A 28 3.104 11.800 6.170 1.00 0.00 H new ATOM 0 HA ASP A 28 2.412 12.356 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.532 13.479 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.091 14.161 3.746 1.00 0.00 H new ATOM 424 N THR A 29 5.130 10.709 4.224 1.00 0.00 N ATOM 425 CA THR A 29 6.234 9.921 3.714 1.00 0.00 C ATOM 426 C THR A 29 5.664 8.759 2.929 1.00 0.00 C ATOM 427 O THR A 29 6.058 8.531 1.794 1.00 0.00 O ATOM 428 CB THR A 29 7.077 9.363 4.861 1.00 0.00 C ATOM 429 OG1 THR A 29 7.113 10.268 5.944 1.00 0.00 O ATOM 430 CG2 THR A 29 8.500 9.116 4.382 1.00 0.00 C ATOM 0 H THR A 29 4.981 10.615 5.229 1.00 0.00 H new ATOM 0 HA THR A 29 6.864 10.553 3.088 1.00 0.00 H new ATOM 0 HB THR A 29 6.624 8.428 5.191 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.656 9.891 6.667 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.096 8.718 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.488 8.399 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.936 10.054 4.038 1.00 0.00 H new ATOM 437 N LEU A 30 4.723 8.020 3.529 1.00 0.00 N ATOM 438 CA LEU A 30 4.131 6.869 2.869 1.00 0.00 C ATOM 439 C LEU A 30 3.382 7.303 1.620 1.00 0.00 C ATOM 440 O LEU A 30 3.308 6.550 0.656 1.00 0.00 O ATOM 441 CB LEU A 30 3.171 6.151 3.818 1.00 0.00 C ATOM 442 CG LEU A 30 3.869 5.632 5.078 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.792 5.090 6.015 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.854 4.515 4.741 1.00 0.00 C ATOM 0 H LEU A 30 4.362 8.204 4.465 1.00 0.00 H new ATOM 0 HA LEU A 30 4.932 6.186 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.371 6.834 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.705 5.316 3.295 1.00 0.00 H new ATOM 0 HG LEU A 30 4.429 6.443 5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.258 4.712 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.095 5.889 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.253 4.282 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.335 4.166 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.320 3.688 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.611 4.893 4.054 1.00 0.00 H new ATOM 456 N ARG A 31 2.824 8.519 1.620 1.00 0.00 N ATOM 457 CA ARG A 31 2.088 9.018 0.471 1.00 0.00 C ATOM 458 C ARG A 31 3.023 9.113 -0.726 1.00 0.00 C ATOM 459 O ARG A 31 2.646 8.706 -1.821 1.00 0.00 O ATOM 460 CB ARG A 31 1.462 10.380 0.819 1.00 0.00 C ATOM 461 CG ARG A 31 0.989 11.145 -0.422 1.00 0.00 C ATOM 462 CD ARG A 31 -0.078 10.361 -1.186 1.00 0.00 C ATOM 463 NE ARG A 31 -0.290 10.936 -2.519 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.322 11.704 -2.873 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.282 12.019 -2.006 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.385 12.156 -4.119 1.00 0.00 N ATOM 0 H ARG A 31 2.872 9.169 2.405 1.00 0.00 H new ATOM 0 HA ARG A 31 1.280 8.335 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.617 10.227 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.192 10.984 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.587 12.113 -0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.838 11.340 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.226 9.318 -1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.014 10.371 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 31 0.409 10.732 -3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.238 11.672 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.061 12.608 -2.300 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.653 11.915 -4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.166 12.745 -4.409 1.00 0.00 H new ATOM 480 N ARG A 32 4.234 9.636 -0.535 1.00 0.00 N ATOM 481 CA ARG A 32 5.192 9.796 -1.624 1.00 0.00 C ATOM 482 C ARG A 32 5.908 8.479 -1.911 1.00 0.00 C ATOM 483 O ARG A 32 6.142 8.134 -3.068 1.00 0.00 O ATOM 484 CB ARG A 32 6.201 10.867 -1.204 1.00 0.00 C ATOM 485 CG ARG A 32 7.265 11.091 -2.281 1.00 0.00 C ATOM 486 CD ARG A 32 8.303 12.091 -1.774 1.00 0.00 C ATOM 487 NE ARG A 32 7.711 13.415 -1.556 1.00 0.00 N ATOM 488 CZ ARG A 32 8.357 14.439 -0.991 1.00 0.00 C ATOM 489 NH1 ARG A 32 9.622 14.308 -0.591 1.00 0.00 N ATOM 490 NH2 ARG A 32 7.741 15.606 -0.821 1.00 0.00 N ATOM 0 H ARG A 32 4.575 9.958 0.371 1.00 0.00 H new ATOM 0 HA ARG A 32 4.675 10.095 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.678 11.803 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.682 10.569 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.747 10.146 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.801 11.464 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.736 11.727 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.117 12.169 -2.495 1.00 0.00 H new ATOM 0 HE ARG A 32 6.747 13.563 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.107 13.419 -0.715 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.105 15.097 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.773 15.721 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.236 16.386 -0.389 1.00 0.00 H new ATOM 504 N VAL A 33 6.248 7.750 -0.849 1.00 0.00 N ATOM 505 CA VAL A 33 6.915 6.459 -0.913 1.00 0.00 C ATOM 506 C VAL A 33 6.082 5.447 -1.688 1.00 0.00 C ATOM 507 O VAL A 33 6.646 4.575 -2.335 1.00 0.00 O ATOM 508 CB VAL A 33 7.174 5.967 0.516 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.458 4.472 0.580 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.350 6.726 1.117 1.00 0.00 C ATOM 0 H VAL A 33 6.059 8.054 0.106 1.00 0.00 H new ATOM 0 HA VAL A 33 7.862 6.570 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 33 6.264 6.154 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.634 4.179 1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.603 3.922 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.341 4.244 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.530 6.373 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.240 6.557 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.122 7.792 1.138 1.00 0.00 H new ATOM 520 N PHE A 34 4.755 5.556 -1.633 1.00 0.00 N ATOM 521 CA PHE A 34 3.879 4.620 -2.318 1.00 0.00 C ATOM 522 C PHE A 34 3.302 5.216 -3.594 1.00 0.00 C ATOM 523 O PHE A 34 2.716 4.498 -4.403 1.00 0.00 O ATOM 524 CB PHE A 34 2.749 4.212 -1.384 1.00 0.00 C ATOM 525 CG PHE A 34 3.129 3.080 -0.461 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.846 3.331 0.715 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.766 1.767 -0.795 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.209 2.269 1.555 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.125 0.704 0.045 1.00 0.00 C ATOM 530 CZ PHE A 34 3.852 0.956 1.218 1.00 0.00 C ATOM 0 H PHE A 34 4.266 6.288 -1.118 1.00 0.00 H new ATOM 0 HA PHE A 34 4.469 3.747 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.448 5.074 -0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.884 3.916 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.119 4.343 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.209 1.575 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.763 2.462 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.843 -0.307 -0.210 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.137 0.137 1.862 1.00 0.00 H new ATOM 540 N GLU A 35 3.462 6.525 -3.790 1.00 0.00 N ATOM 541 CA GLU A 35 2.954 7.172 -4.991 1.00 0.00 C ATOM 542 C GLU A 35 3.805 6.776 -6.203 1.00 0.00 C ATOM 543 O GLU A 35 3.329 6.826 -7.337 1.00 0.00 O ATOM 544 CB GLU A 35 2.920 8.687 -4.800 1.00 0.00 C ATOM 545 CG GLU A 35 2.446 9.417 -6.052 1.00 0.00 C ATOM 546 CD GLU A 35 2.143 10.880 -5.733 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.046 11.137 -5.189 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.014 11.730 -6.039 1.00 0.00 O ATOM 0 H GLU A 35 3.935 7.150 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 35 1.933 6.837 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.260 8.931 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.916 9.040 -4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.211 9.358 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.554 8.932 -6.448 1.00 0.00 H new ATOM 555 N LYS A 36 5.063 6.378 -5.973 1.00 0.00 N ATOM 556 CA LYS A 36 5.966 5.983 -7.046 1.00 0.00 C ATOM 557 C LYS A 36 5.521 4.683 -7.715 1.00 0.00 C ATOM 558 O LYS A 36 5.893 4.415 -8.856 1.00 0.00 O ATOM 559 CB LYS A 36 7.385 5.847 -6.490 1.00 0.00 C ATOM 560 CG LYS A 36 7.548 4.601 -5.615 1.00 0.00 C ATOM 561 CD LYS A 36 8.976 4.477 -5.080 1.00 0.00 C ATOM 562 CE LYS A 36 9.324 5.662 -4.178 1.00 0.00 C ATOM 563 NZ LYS A 36 10.685 5.524 -3.629 1.00 0.00 N ATOM 0 H LYS A 36 5.475 6.323 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 36 5.947 6.757 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.094 5.803 -7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.631 6.734 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.848 4.646 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.296 3.712 -6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.080 3.547 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.678 4.430 -5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.249 6.590 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.604 5.727 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.898 6.340 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.747 4.649 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.372 5.485 -4.409 1.00 0.00 H new ATOM 577 N TYR A 37 4.727 3.882 -7.001 1.00 0.00 N ATOM 578 CA TYR A 37 4.198 2.627 -7.514 1.00 0.00 C ATOM 579 C TYR A 37 3.047 2.878 -8.486 1.00 0.00 C ATOM 580 O TYR A 37 2.590 1.952 -9.148 1.00 0.00 O ATOM 581 CB TYR A 37 3.774 1.739 -6.343 1.00 0.00 C ATOM 582 CG TYR A 37 4.959 1.315 -5.510 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.511 2.201 -4.580 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.518 0.041 -5.691 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.647 1.839 -3.845 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.651 -0.332 -4.957 1.00 0.00 C ATOM 587 CZ TYR A 37 7.230 0.569 -4.040 1.00 0.00 C ATOM 588 OH TYR A 37 8.346 0.207 -3.349 1.00 0.00 O ATOM 0 H TYR A 37 4.434 4.091 -6.047 1.00 0.00 H new ATOM 0 HA TYR A 37 4.975 2.108 -8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.062 2.277 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.261 0.856 -6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.059 3.170 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.076 -0.650 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.075 2.529 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.082 -1.313 -5.094 1.00 0.00 H new ATOM 0 HH TYR A 37 8.087 -0.164 -2.480 1.00 0.00 H new ATOM 598 N GLY A 38 2.585 4.131 -8.571 1.00 0.00 N ATOM 599 CA GLY A 38 1.568 4.536 -9.529 1.00 0.00 C ATOM 600 C GLY A 38 0.839 5.760 -9.008 1.00 0.00 C ATOM 601 O GLY A 38 1.153 6.895 -9.370 1.00 0.00 O ATOM 0 H GLY A 38 2.912 4.890 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.028 4.757 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.862 3.722 -9.692 1.00 0.00 H new ATOM 605 N ARG A 39 -0.140 5.508 -8.143 1.00 0.00 N ATOM 606 CA ARG A 39 -0.859 6.520 -7.393 1.00 0.00 C ATOM 607 C ARG A 39 -1.566 5.834 -6.237 1.00 0.00 C ATOM 608 O ARG A 39 -2.309 4.880 -6.446 1.00 0.00 O ATOM 609 CB ARG A 39 -1.856 7.231 -8.315 1.00 0.00 C ATOM 610 CG ARG A 39 -2.925 6.294 -8.898 1.00 0.00 C ATOM 611 CD ARG A 39 -3.792 7.036 -9.913 1.00 0.00 C ATOM 612 NE ARG A 39 -4.528 8.145 -9.291 1.00 0.00 N ATOM 613 CZ ARG A 39 -5.270 9.024 -9.969 1.00 0.00 C ATOM 614 NH1 ARG A 39 -5.395 8.929 -11.290 1.00 0.00 N ATOM 615 NH2 ARG A 39 -5.897 10.002 -9.321 1.00 0.00 N ATOM 0 H ARG A 39 -0.461 4.561 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.177 7.274 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.348 8.029 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.311 7.701 -9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.446 5.439 -9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.550 5.902 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.163 7.421 -10.716 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.498 6.340 -10.367 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.468 8.250 -8.278 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.922 8.179 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.964 9.606 -11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.811 10.080 -8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.464 10.674 -9.837 1.00 0.00 H new ATOM 629 N VAL A 40 -1.344 6.302 -5.013 1.00 0.00 N ATOM 630 CA VAL A 40 -2.108 5.779 -3.894 1.00 0.00 C ATOM 631 C VAL A 40 -3.556 6.220 -4.107 1.00 0.00 C ATOM 632 O VAL A 40 -3.813 7.383 -4.414 1.00 0.00 O ATOM 633 CB VAL A 40 -1.539 6.239 -2.541 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.022 6.065 -2.520 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.884 7.685 -2.169 1.00 0.00 C ATOM 0 H VAL A 40 -0.661 7.022 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.049 4.691 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.016 5.604 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.369 6.394 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.226 5.015 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.424 6.662 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.444 7.927 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.487 8.360 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.967 7.798 -2.114 1.00 0.00 H new ATOM 645 N GLY A 41 -4.511 5.304 -3.952 1.00 0.00 N ATOM 646 CA GLY A 41 -5.920 5.630 -4.108 1.00 0.00 C ATOM 647 C GLY A 41 -6.422 6.346 -2.858 1.00 0.00 C ATOM 648 O GLY A 41 -7.403 7.086 -2.911 1.00 0.00 O ATOM 0 H GLY A 41 -4.329 4.328 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.062 6.263 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.498 4.721 -4.275 1.00 0.00 H new ATOM 652 N ASP A 42 -5.734 6.123 -1.730 1.00 0.00 N ATOM 653 CA ASP A 42 -6.014 6.786 -0.469 1.00 0.00 C ATOM 654 C ASP A 42 -4.863 6.539 0.507 1.00 0.00 C ATOM 655 O ASP A 42 -3.990 5.707 0.257 1.00 0.00 O ATOM 656 CB ASP A 42 -7.325 6.250 0.117 1.00 0.00 C ATOM 657 CG ASP A 42 -7.810 7.118 1.276 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.480 8.322 1.279 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.510 6.570 2.157 1.00 0.00 O ATOM 0 H ASP A 42 -4.957 5.465 -1.677 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.114 7.858 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.088 6.219 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.180 5.226 0.462 1.00 0.00 H new ATOM 664 N VAL A 43 -4.861 7.257 1.628 1.00 0.00 N ATOM 665 CA VAL A 43 -3.911 7.050 2.712 1.00 0.00 C ATOM 666 C VAL A 43 -4.546 7.567 3.999 1.00 0.00 C ATOM 667 O VAL A 43 -5.239 8.586 3.987 1.00 0.00 O ATOM 668 CB VAL A 43 -2.576 7.749 2.402 1.00 0.00 C ATOM 669 CG1 VAL A 43 -2.777 9.226 2.061 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.609 7.636 3.585 1.00 0.00 C ATOM 0 H VAL A 43 -5.528 8.007 1.809 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.683 5.990 2.828 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.151 7.243 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.811 9.685 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.421 9.313 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.242 9.734 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.673 8.138 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.053 8.104 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.412 6.585 3.795 1.00 0.00 H new ATOM 680 N TYR A 44 -4.316 6.866 5.113 1.00 0.00 N ATOM 681 CA TYR A 44 -4.915 7.237 6.387 1.00 0.00 C ATOM 682 C TYR A 44 -4.130 6.649 7.559 1.00 0.00 C ATOM 683 O TYR A 44 -3.354 5.710 7.389 1.00 0.00 O ATOM 684 CB TYR A 44 -6.356 6.724 6.402 1.00 0.00 C ATOM 685 CG TYR A 44 -7.265 7.466 7.354 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.481 8.839 7.180 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.894 6.783 8.404 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.348 9.535 8.040 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.760 7.468 9.268 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.990 8.848 9.092 1.00 0.00 C ATOM 691 OH TYR A 44 -9.829 9.512 9.937 1.00 0.00 O ATOM 0 H TYR A 44 -3.719 6.040 5.153 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.896 8.321 6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.766 6.796 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.351 5.667 6.670 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.979 9.365 6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.711 5.728 8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.522 10.591 7.896 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.252 6.938 10.070 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.186 8.887 10.602 1.00 0.00 H new ATOM 701 N ILE A 45 -4.344 7.211 8.749 1.00 0.00 N ATOM 702 CA ILE A 45 -3.825 6.692 10.005 1.00 0.00 C ATOM 703 C ILE A 45 -4.927 6.902 11.036 1.00 0.00 C ATOM 704 O ILE A 45 -4.997 7.950 11.677 1.00 0.00 O ATOM 705 CB ILE A 45 -2.511 7.368 10.423 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.383 6.998 9.448 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.129 6.902 11.837 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.067 7.695 9.787 1.00 0.00 C ATOM 0 H ILE A 45 -4.897 8.060 8.864 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.572 5.636 9.908 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.651 8.449 10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.233 5.918 9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.681 7.264 8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.197 7.379 12.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.919 7.176 12.536 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.000 5.820 11.841 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.697 7.399 9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.206 8.775 9.745 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.249 7.408 10.790 1.00 0.00 H new ATOM 720 N PRO A 46 -5.803 5.905 11.197 1.00 0.00 N ATOM 721 CA PRO A 46 -6.983 6.016 12.026 1.00 0.00 C ATOM 722 C PRO A 46 -6.683 5.903 13.512 1.00 0.00 C ATOM 723 O PRO A 46 -7.531 6.251 14.333 1.00 0.00 O ATOM 724 CB PRO A 46 -7.861 4.850 11.586 1.00 0.00 C ATOM 725 CG PRO A 46 -6.849 3.784 11.177 1.00 0.00 C ATOM 726 CD PRO A 46 -5.723 4.605 10.558 1.00 0.00 C ATOM 0 HA PRO A 46 -7.450 6.993 11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.505 4.504 12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.511 5.127 10.756 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.503 3.205 12.033 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.273 3.077 10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.753 4.139 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.845 4.689 9.478 1.00 0.00 H new ATOM 734 N ARG A 47 -5.477 5.425 13.834 1.00 0.00 N ATOM 735 CA ARG A 47 -5.012 5.137 15.190 1.00 0.00 C ATOM 736 C ARG A 47 -6.198 4.834 16.113 1.00 0.00 C ATOM 737 O ARG A 47 -6.810 3.776 15.977 1.00 0.00 O ATOM 738 CB ARG A 47 -4.082 6.259 15.682 1.00 0.00 C ATOM 739 CG ARG A 47 -4.618 7.674 15.435 1.00 0.00 C ATOM 740 CD ARG A 47 -3.526 8.676 15.810 1.00 0.00 C ATOM 741 NE ARG A 47 -3.968 10.051 15.553 1.00 0.00 N ATOM 742 CZ ARG A 47 -3.230 11.136 15.799 1.00 0.00 C ATOM 743 NH1 ARG A 47 -2.013 11.031 16.321 1.00 0.00 N ATOM 744 NH2 ARG A 47 -3.712 12.343 15.520 1.00 0.00 N ATOM 0 H ARG A 47 -4.771 5.221 13.127 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.406 4.231 15.197 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.909 6.130 16.750 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.116 6.157 15.188 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.901 7.795 14.389 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.514 7.849 16.030 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.269 8.563 16.863 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.622 8.467 15.237 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.900 10.187 15.161 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.630 10.112 16.540 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.462 11.870 16.503 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.645 12.439 15.118 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.149 13.173 15.707 1.00 0.00 H new ATOM 758 N ASP A 48 -6.526 5.739 17.035 1.00 0.00 N ATOM 759 CA ASP A 48 -7.737 5.667 17.836 1.00 0.00 C ATOM 760 C ASP A 48 -8.216 7.089 18.097 1.00 0.00 C ATOM 761 O ASP A 48 -7.458 7.946 18.545 1.00 0.00 O ATOM 762 CB ASP A 48 -7.490 4.925 19.153 1.00 0.00 C ATOM 763 CG ASP A 48 -7.579 3.412 18.985 1.00 0.00 C ATOM 764 OD1 ASP A 48 -8.720 2.919 18.836 1.00 0.00 O ATOM 765 OD2 ASP A 48 -6.515 2.756 19.011 1.00 0.00 O ATOM 0 H ASP A 48 -5.947 6.552 17.246 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.501 5.107 17.297 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.505 5.189 19.538 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.220 5.250 19.894 1.00 0.00 H new ATOM 770 N ARG A 49 -9.499 7.320 17.806 1.00 0.00 N ATOM 771 CA ARG A 49 -10.146 8.627 17.849 1.00 0.00 C ATOM 772 C ARG A 49 -10.440 9.081 19.284 1.00 0.00 C ATOM 773 O ARG A 49 -11.257 9.977 19.489 1.00 0.00 O ATOM 774 CB ARG A 49 -11.411 8.525 16.991 1.00 0.00 C ATOM 775 CG ARG A 49 -11.972 9.871 16.534 1.00 0.00 C ATOM 776 CD ARG A 49 -13.178 9.578 15.647 1.00 0.00 C ATOM 777 NE ARG A 49 -13.797 10.803 15.136 1.00 0.00 N ATOM 778 CZ ARG A 49 -14.560 11.632 15.855 1.00 0.00 C ATOM 779 NH1 ARG A 49 -14.793 11.407 17.147 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.094 12.699 15.268 1.00 0.00 N ATOM 0 H ARG A 49 -10.135 6.574 17.525 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.484 9.395 17.450 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.192 7.919 16.112 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.179 7.998 17.558 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.263 10.478 17.391 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.218 10.436 15.985 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.868 8.953 14.810 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.915 9.009 16.214 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.634 11.041 14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.386 10.591 17.604 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.378 12.051 17.679 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.920 12.878 14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.678 13.339 15.807 1.00 0.00 H new ATOM 794 N TYR A 50 -9.782 8.473 20.278 1.00 0.00 N ATOM 795 CA TYR A 50 -10.010 8.800 21.683 1.00 0.00 C ATOM 796 C TYR A 50 -8.708 8.854 22.481 1.00 0.00 C ATOM 797 O TYR A 50 -8.702 9.339 23.612 1.00 0.00 O ATOM 798 CB TYR A 50 -10.910 7.748 22.341 1.00 0.00 C ATOM 799 CG TYR A 50 -12.094 7.299 21.524 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.190 8.156 21.333 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.100 6.011 20.973 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.302 7.720 20.598 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.209 5.568 20.244 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.317 6.421 20.050 1.00 0.00 C ATOM 805 OH TYR A 50 -15.396 5.991 19.338 1.00 0.00 O ATOM 0 H TYR A 50 -9.082 7.746 20.129 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.483 9.782 21.695 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.303 6.874 22.578 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.275 8.149 23.287 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.177 9.151 21.752 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.249 5.360 21.111 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.146 8.378 20.452 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.217 4.571 19.829 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.241 5.073 19.031 1.00 0.00 H new ATOM 815 N THR A 51 -7.614 8.359 21.902 1.00 0.00 N ATOM 816 CA THR A 51 -6.324 8.295 22.582 1.00 0.00 C ATOM 817 C THR A 51 -5.198 8.818 21.687 1.00 0.00 C ATOM 818 O THR A 51 -4.127 9.154 22.186 1.00 0.00 O ATOM 819 CB THR A 51 -6.044 6.845 22.995 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.806 6.072 21.839 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.228 6.237 23.747 1.00 0.00 C ATOM 0 H THR A 51 -7.599 7.992 20.950 1.00 0.00 H new ATOM 0 HA THR A 51 -6.363 8.930 23.467 1.00 0.00 H new ATOM 0 HB THR A 51 -5.175 6.845 23.653 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.625 5.144 22.097 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.994 5.209 24.024 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.425 6.819 24.647 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.110 6.248 23.107 1.00 0.00 H new ATOM 828 N LYS A 52 -5.450 8.890 20.374 1.00 0.00 N ATOM 829 CA LYS A 52 -4.547 9.431 19.370 1.00 0.00 C ATOM 830 C LYS A 52 -3.090 8.988 19.555 1.00 0.00 C ATOM 831 O LYS A 52 -2.174 9.762 19.277 1.00 0.00 O ATOM 832 CB LYS A 52 -4.675 10.956 19.338 1.00 0.00 C ATOM 833 CG LYS A 52 -6.121 11.374 19.033 1.00 0.00 C ATOM 834 CD LYS A 52 -6.231 12.894 18.898 1.00 0.00 C ATOM 835 CE LYS A 52 -5.848 13.591 20.203 1.00 0.00 C ATOM 836 NZ LYS A 52 -5.982 15.054 20.078 1.00 0.00 N ATOM 0 H LYS A 52 -6.327 8.557 19.973 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.847 9.021 18.405 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.366 11.372 20.297 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.006 11.366 18.582 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.455 10.898 18.111 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.780 11.027 19.829 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.581 13.239 18.094 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.250 13.165 18.623 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.484 13.232 21.012 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.822 13.337 20.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.716 15.505 20.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.357 15.396 19.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.968 15.294 19.848 1.00 0.00 H new ATOM 850 N GLU A 53 -2.867 7.754 20.017 1.00 0.00 N ATOM 851 CA GLU A 53 -1.519 7.251 20.270 1.00 0.00 C ATOM 852 C GLU A 53 -1.289 5.870 19.651 1.00 0.00 C ATOM 853 O GLU A 53 -0.265 5.241 19.904 1.00 0.00 O ATOM 854 CB GLU A 53 -1.244 7.233 21.779 1.00 0.00 C ATOM 855 CG GLU A 53 -2.151 6.241 22.511 1.00 0.00 C ATOM 856 CD GLU A 53 -1.842 6.230 24.003 1.00 0.00 C ATOM 857 OE1 GLU A 53 -0.950 5.447 24.400 1.00 0.00 O ATOM 858 OE2 GLU A 53 -2.499 7.000 24.741 1.00 0.00 O ATOM 0 H GLU A 53 -3.608 7.084 20.223 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.814 7.928 19.787 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.201 6.970 21.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.394 8.232 22.188 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.195 6.510 22.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.013 5.242 22.098 1.00 0.00 H new ATOM 865 N SER A 54 -2.240 5.401 18.839 1.00 0.00 N ATOM 866 CA SER A 54 -2.156 4.106 18.176 1.00 0.00 C ATOM 867 C SER A 54 -1.555 4.257 16.780 1.00 0.00 C ATOM 868 O SER A 54 -1.859 3.475 15.880 1.00 0.00 O ATOM 869 CB SER A 54 -3.537 3.466 18.124 1.00 0.00 C ATOM 870 OG SER A 54 -4.025 3.312 19.439 1.00 0.00 O ATOM 0 H SER A 54 -3.094 5.916 18.625 1.00 0.00 H new ATOM 0 HA SER A 54 -1.497 3.451 18.746 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.217 4.087 17.541 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.484 2.497 17.627 1.00 0.00 H new ATOM 0 HG SER A 54 -5.004 3.351 19.431 1.00 0.00 H new ATOM 876 N ARG A 55 -0.695 5.270 16.609 1.00 0.00 N ATOM 877 CA ARG A 55 0.045 5.557 15.379 1.00 0.00 C ATOM 878 C ARG A 55 0.950 4.388 14.966 1.00 0.00 C ATOM 879 O ARG A 55 1.687 4.486 13.990 1.00 0.00 O ATOM 880 CB ARG A 55 0.836 6.850 15.618 1.00 0.00 C ATOM 881 CG ARG A 55 1.644 7.332 14.409 1.00 0.00 C ATOM 882 CD ARG A 55 2.275 8.682 14.738 1.00 0.00 C ATOM 883 NE ARG A 55 3.233 9.079 13.698 1.00 0.00 N ATOM 884 CZ ARG A 55 3.794 10.285 13.619 1.00 0.00 C ATOM 885 NH1 ARG A 55 3.496 11.239 14.497 1.00 0.00 N ATOM 886 NH2 ARG A 55 4.665 10.554 12.652 1.00 0.00 N ATOM 0 H ARG A 55 -0.490 5.936 17.354 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.643 5.689 14.544 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.142 7.637 15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.516 6.696 16.456 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.418 6.606 14.160 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.998 7.422 13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.496 9.439 14.829 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.781 8.627 15.702 1.00 0.00 H new ATOM 0 HE ARG A 55 3.485 8.388 12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.829 11.053 15.246 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.935 12.157 14.422 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.905 9.836 11.968 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.093 11.478 12.594 1.00 0.00 H new ATOM 900 N GLY A 56 0.902 3.278 15.709 1.00 0.00 N ATOM 901 CA GLY A 56 1.702 2.085 15.467 1.00 0.00 C ATOM 902 C GLY A 56 1.506 1.469 14.076 1.00 0.00 C ATOM 903 O GLY A 56 2.221 0.532 13.727 1.00 0.00 O ATOM 0 H GLY A 56 0.286 3.187 16.517 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.755 2.335 15.597 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.457 1.337 16.221 1.00 0.00 H new ATOM 907 N PHE A 57 0.555 1.973 13.282 1.00 0.00 N ATOM 908 CA PHE A 57 0.347 1.489 11.927 1.00 0.00 C ATOM 909 C PHE A 57 -0.236 2.580 11.030 1.00 0.00 C ATOM 910 O PHE A 57 -0.480 3.701 11.475 1.00 0.00 O ATOM 911 CB PHE A 57 -0.548 0.250 11.944 1.00 0.00 C ATOM 912 CG PHE A 57 -2.024 0.562 12.010 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.573 1.172 13.143 1.00 0.00 C ATOM 914 CD2 PHE A 57 -2.842 0.240 10.918 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.944 1.442 13.191 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.209 0.523 10.961 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.765 1.107 12.105 1.00 0.00 C ATOM 0 H PHE A 57 -0.082 2.719 13.563 1.00 0.00 H new ATOM 0 HA PHE A 57 1.315 1.211 11.509 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.351 -0.341 11.049 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.279 -0.369 12.800 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.940 1.434 13.978 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.415 -0.227 10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.371 1.909 14.066 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.836 0.292 10.113 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.827 1.300 12.151 1.00 0.00 H new ATOM 927 N ALA A 58 -0.457 2.234 9.765 1.00 0.00 N ATOM 928 CA ALA A 58 -0.998 3.138 8.763 1.00 0.00 C ATOM 929 C ALA A 58 -1.923 2.382 7.816 1.00 0.00 C ATOM 930 O ALA A 58 -2.107 1.172 7.954 1.00 0.00 O ATOM 931 CB ALA A 58 0.151 3.794 7.996 1.00 0.00 C ATOM 0 H ALA A 58 -0.261 1.300 9.404 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.582 3.917 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.253 4.472 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.779 4.354 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.748 3.024 7.507 1.00 0.00 H new ATOM 937 N PHE A 59 -2.504 3.102 6.857 1.00 0.00 N ATOM 938 CA PHE A 59 -3.479 2.549 5.939 1.00 0.00 C ATOM 939 C PHE A 59 -3.367 3.195 4.556 1.00 0.00 C ATOM 940 O PHE A 59 -4.275 3.913 4.137 1.00 0.00 O ATOM 941 CB PHE A 59 -4.859 2.767 6.567 1.00 0.00 C ATOM 942 CG PHE A 59 -5.976 1.886 6.050 1.00 0.00 C ATOM 943 CD1 PHE A 59 -5.947 1.338 4.759 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.060 1.616 6.896 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.995 0.518 4.323 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.102 0.793 6.460 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.069 0.237 5.175 1.00 0.00 C ATOM 0 H PHE A 59 -2.305 4.090 6.700 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.305 1.485 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.773 2.615 7.643 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.145 3.808 6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.117 1.549 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.090 2.045 7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.974 0.101 3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.935 0.585 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.870 -0.407 4.843 1.00 0.00 H new ATOM 957 N VAL A 60 -2.265 2.954 3.834 1.00 0.00 N ATOM 958 CA VAL A 60 -2.196 3.408 2.440 1.00 0.00 C ATOM 959 C VAL A 60 -3.074 2.460 1.633 1.00 0.00 C ATOM 960 O VAL A 60 -3.287 1.326 2.055 1.00 0.00 O ATOM 961 CB VAL A 60 -0.762 3.427 1.882 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.748 3.745 0.390 1.00 0.00 C ATOM 963 CG2 VAL A 60 0.081 4.475 2.603 1.00 0.00 C ATOM 0 H VAL A 60 -1.437 2.466 4.176 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.542 4.440 2.376 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.345 2.433 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.280 3.750 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.318 2.988 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.196 4.724 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.092 4.473 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.365 5.460 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.120 4.242 3.667 1.00 0.00 H new ATOM 973 N ARG A 61 -3.581 2.898 0.480 1.00 0.00 N ATOM 974 CA ARG A 61 -4.417 2.042 -0.349 1.00 0.00 C ATOM 975 C ARG A 61 -4.266 2.387 -1.829 1.00 0.00 C ATOM 976 O ARG A 61 -3.814 3.477 -2.168 1.00 0.00 O ATOM 977 CB ARG A 61 -5.862 2.172 0.133 1.00 0.00 C ATOM 978 CG ARG A 61 -6.793 1.211 -0.605 1.00 0.00 C ATOM 979 CD ARG A 61 -8.091 0.987 0.168 1.00 0.00 C ATOM 980 NE ARG A 61 -8.887 2.211 0.313 1.00 0.00 N ATOM 981 CZ ARG A 61 -8.902 2.978 1.407 1.00 0.00 C ATOM 982 NH1 ARG A 61 -8.055 2.764 2.412 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.767 3.975 1.512 1.00 0.00 N ATOM 0 H ARG A 61 -3.427 3.834 0.105 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.103 1.003 -0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.908 1.973 1.204 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.204 3.196 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.021 1.610 -1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.288 0.257 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.687 0.231 -0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.856 0.593 1.157 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.469 2.496 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.378 2.003 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.083 3.361 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.426 4.160 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.774 4.558 2.349 1.00 0.00 H new ATOM 997 N PHE A 62 -4.652 1.451 -2.705 1.00 0.00 N ATOM 998 CA PHE A 62 -4.707 1.654 -4.150 1.00 0.00 C ATOM 999 C PHE A 62 -6.032 1.154 -4.709 1.00 0.00 C ATOM 1000 O PHE A 62 -6.737 0.389 -4.047 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.563 0.920 -4.853 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.184 1.361 -4.429 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.709 1.027 -3.153 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.373 2.096 -5.309 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.432 1.430 -2.749 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.087 2.479 -4.915 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.386 2.138 -3.643 1.00 0.00 C ATOM 0 H PHE A 62 -4.939 0.515 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.611 2.724 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.663 -0.149 -4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.662 1.064 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.331 0.456 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.742 2.365 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.078 1.198 -1.756 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.541 3.038 -5.593 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.386 2.421 -3.348 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.351 1.597 -5.929 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.632 1.333 -6.576 1.00 0.00 C ATOM 1019 C HIS A 63 -7.461 0.920 -8.037 1.00 0.00 C ATOM 1020 O HIS A 63 -8.418 0.935 -8.810 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.531 2.556 -6.439 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.209 3.673 -7.398 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.083 4.160 -8.367 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -7.033 4.366 -7.465 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -8.414 5.132 -9.005 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -7.184 5.281 -8.484 1.00 0.00 N ATOM 0 H HIS A 63 -5.716 2.156 -6.499 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.106 0.489 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.566 2.250 -6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.456 2.935 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.161 4.225 -6.844 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.809 5.714 -9.824 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.483 5.956 -8.790 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.240 0.550 -8.419 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.960 0.013 -9.744 1.00 0.00 C ATOM 1036 C ASP A 64 -5.081 -1.223 -9.583 1.00 0.00 C ATOM 1037 O ASP A 64 -4.078 -1.183 -8.869 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.298 1.070 -10.626 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.211 0.599 -12.074 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.569 -0.449 -12.312 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -5.788 1.292 -12.942 1.00 0.00 O ATOM 0 H ASP A 64 -5.419 0.615 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.888 -0.271 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.867 1.999 -10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.298 1.288 -10.250 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.456 -2.319 -10.245 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.828 -3.614 -10.044 1.00 0.00 C ATOM 1048 C LYS A 65 -3.348 -3.617 -10.410 1.00 0.00 C ATOM 1049 O LYS A 65 -2.582 -4.363 -9.808 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.578 -4.684 -10.840 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.465 -4.455 -12.350 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.186 -5.556 -13.127 1.00 0.00 C ATOM 1053 CE LYS A 65 -7.674 -5.580 -12.783 1.00 0.00 C ATOM 1054 NZ LYS A 65 -8.390 -6.609 -13.563 1.00 0.00 N ATOM 0 H LYS A 65 -6.206 -2.327 -10.936 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.885 -3.839 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.180 -5.668 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.629 -4.683 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.891 -3.485 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.415 -4.429 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.059 -5.395 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.739 -6.523 -12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.800 -5.775 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.111 -4.601 -12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.398 -6.600 -13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.289 -6.408 -14.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.988 -7.545 -13.354 1.00 0.00 H new ATOM 1068 N ARG A 66 -2.918 -2.806 -11.380 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.535 -2.876 -11.833 1.00 0.00 C ATOM 1070 C ARG A 66 -0.599 -2.264 -10.794 1.00 0.00 C ATOM 1071 O ARG A 66 0.491 -2.784 -10.556 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.427 -2.201 -13.203 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.364 -0.676 -13.100 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.671 -0.033 -14.452 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.099 -0.144 -14.766 1.00 0.00 N ATOM 1076 CZ ARG A 66 -3.620 -0.036 -15.990 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -2.842 0.191 -17.047 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -4.933 -0.156 -16.163 1.00 0.00 N ATOM 0 H ARG A 66 -3.494 -2.111 -11.854 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.225 -3.915 -11.946 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.536 -2.565 -13.715 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.284 -2.486 -13.814 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.078 -0.327 -12.354 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.374 -0.369 -12.762 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.378 1.017 -14.436 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.083 -0.517 -15.232 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.741 -0.316 -13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.833 0.285 -16.927 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.255 0.271 -17.976 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.539 -0.330 -15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.334 -0.074 -17.097 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.029 -1.162 -10.177 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.245 -0.502 -9.148 1.00 0.00 C ATOM 1094 C ASP A 67 -0.375 -1.277 -7.840 1.00 0.00 C ATOM 1095 O ASP A 67 0.542 -1.278 -7.020 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.757 0.926 -8.952 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.745 1.734 -10.251 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.173 1.524 -11.075 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.665 2.564 -10.408 1.00 0.00 O ATOM 0 H ASP A 67 -1.921 -0.711 -10.378 1.00 0.00 H new ATOM 0 HA ASP A 67 0.802 -0.471 -9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.772 0.894 -8.557 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.141 1.431 -8.208 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.521 -1.940 -7.649 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.785 -2.728 -6.458 1.00 0.00 C ATOM 1106 C ALA A 68 -0.917 -3.986 -6.418 1.00 0.00 C ATOM 1107 O ALA A 68 -0.319 -4.291 -5.387 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.262 -3.116 -6.471 1.00 0.00 C ATOM 0 H ALA A 68 -2.288 -1.940 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.545 -2.139 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.490 -3.710 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.875 -2.215 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.477 -3.701 -7.366 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.833 -4.725 -7.530 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.052 -5.952 -7.541 1.00 0.00 C ATOM 1116 C GLU A 69 1.439 -5.658 -7.424 1.00 0.00 C ATOM 1117 O GLU A 69 2.163 -6.455 -6.834 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.338 -6.765 -8.804 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.767 -7.310 -8.806 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.005 -8.213 -10.015 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.676 -9.417 -9.917 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.518 -7.694 -11.033 1.00 0.00 O ATOM 0 H GLU A 69 -1.288 -4.496 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.349 -6.542 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.184 -6.140 -9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.368 -7.592 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.948 -7.869 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.476 -6.482 -8.820 1.00 0.00 H new ATOM 1129 N ASP A 70 1.910 -4.531 -7.968 1.00 0.00 N ATOM 1130 CA ASP A 70 3.316 -4.173 -7.821 1.00 0.00 C ATOM 1131 C ASP A 70 3.600 -3.679 -6.406 1.00 0.00 C ATOM 1132 O ASP A 70 4.658 -3.972 -5.846 1.00 0.00 O ATOM 1133 CB ASP A 70 3.672 -3.062 -8.806 1.00 0.00 C ATOM 1134 CG ASP A 70 3.751 -3.543 -10.255 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.754 -4.776 -10.474 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.809 -2.664 -11.142 1.00 0.00 O ATOM 0 H ASP A 70 1.349 -3.867 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 70 3.916 -5.061 -8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.928 -2.269 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.630 -2.627 -8.522 1.00 0.00 H new ATOM 1141 N ALA A 71 2.664 -2.927 -5.822 1.00 0.00 N ATOM 1142 CA ALA A 71 2.855 -2.354 -4.502 1.00 0.00 C ATOM 1143 C ALA A 71 3.080 -3.441 -3.458 1.00 0.00 C ATOM 1144 O ALA A 71 3.833 -3.225 -2.515 1.00 0.00 O ATOM 1145 CB ALA A 71 1.642 -1.504 -4.135 1.00 0.00 C ATOM 0 H ALA A 71 1.765 -2.704 -6.250 1.00 0.00 H new ATOM 0 HA ALA A 71 3.745 -1.725 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.786 -1.074 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.525 -0.703 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.748 -2.127 -4.134 1.00 0.00 H new ATOM 1151 N MET A 72 2.447 -4.611 -3.598 1.00 0.00 N ATOM 1152 CA MET A 72 2.645 -5.671 -2.616 1.00 0.00 C ATOM 1153 C MET A 72 3.807 -6.574 -3.026 1.00 0.00 C ATOM 1154 O MET A 72 4.462 -7.159 -2.169 1.00 0.00 O ATOM 1155 CB MET A 72 1.360 -6.486 -2.445 1.00 0.00 C ATOM 1156 CG MET A 72 1.103 -7.324 -3.690 1.00 0.00 C ATOM 1157 SD MET A 72 -0.483 -8.190 -3.728 1.00 0.00 S ATOM 1158 CE MET A 72 -0.244 -9.095 -5.277 1.00 0.00 C ATOM 0 H MET A 72 1.811 -4.840 -4.362 1.00 0.00 H new ATOM 0 HA MET A 72 2.892 -5.213 -1.658 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.444 -7.133 -1.572 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.517 -5.818 -2.266 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.164 -6.675 -4.563 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.902 -8.060 -3.783 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.188 -9.144 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.498 -8.581 -5.888 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.102 -10.105 -5.058 1.00 0.00 H new ATOM 1168 N ASP A 73 4.075 -6.685 -4.331 1.00 0.00 N ATOM 1169 CA ASP A 73 5.178 -7.494 -4.829 1.00 0.00 C ATOM 1170 C ASP A 73 6.530 -6.875 -4.459 1.00 0.00 C ATOM 1171 O ASP A 73 7.567 -7.513 -4.628 1.00 0.00 O ATOM 1172 CB ASP A 73 5.045 -7.635 -6.345 1.00 0.00 C ATOM 1173 CG ASP A 73 6.121 -8.541 -6.927 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.101 -9.749 -6.601 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.959 -8.026 -7.701 1.00 0.00 O ATOM 0 H ASP A 73 3.536 -6.219 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 73 5.135 -8.479 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.061 -8.037 -6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.110 -6.650 -6.808 1.00 0.00 H new ATOM 1180 N ALA A 74 6.521 -5.637 -3.952 1.00 0.00 N ATOM 1181 CA ALA A 74 7.745 -4.937 -3.591 1.00 0.00 C ATOM 1182 C ALA A 74 7.705 -4.305 -2.197 1.00 0.00 C ATOM 1183 O ALA A 74 8.734 -3.825 -1.725 1.00 0.00 O ATOM 1184 CB ALA A 74 7.987 -3.867 -4.649 1.00 0.00 C ATOM 0 H ALA A 74 5.669 -5.101 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 74 8.557 -5.664 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.899 -3.320 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.091 -4.339 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.144 -3.176 -4.668 1.00 0.00 H new ATOM 1190 N MET A 75 6.547 -4.291 -1.531 1.00 0.00 N ATOM 1191 CA MET A 75 6.465 -3.784 -0.159 1.00 0.00 C ATOM 1192 C MET A 75 5.963 -4.820 0.844 1.00 0.00 C ATOM 1193 O MET A 75 6.177 -4.627 2.039 1.00 0.00 O ATOM 1194 CB MET A 75 5.524 -2.585 -0.073 1.00 0.00 C ATOM 1195 CG MET A 75 5.941 -1.392 -0.926 1.00 0.00 C ATOM 1196 SD MET A 75 7.393 -0.494 -0.331 1.00 0.00 S ATOM 1197 CE MET A 75 6.805 1.193 -0.649 1.00 0.00 C ATOM 0 H MET A 75 5.662 -4.621 -1.915 1.00 0.00 H new ATOM 0 HA MET A 75 7.488 -3.509 0.098 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.525 -2.900 -0.375 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.456 -2.266 0.967 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.139 -1.741 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.103 -0.698 -0.986 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.559 1.741 -1.214 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.879 1.154 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.622 1.699 0.299 1.00 0.00 H new ATOM 1207 N ASP A 76 5.309 -5.908 0.415 1.00 0.00 N ATOM 1208 CA ASP A 76 4.834 -6.919 1.359 1.00 0.00 C ATOM 1209 C ASP A 76 5.982 -7.800 1.873 1.00 0.00 C ATOM 1210 O ASP A 76 5.922 -9.027 1.813 1.00 0.00 O ATOM 1211 CB ASP A 76 3.717 -7.757 0.733 1.00 0.00 C ATOM 1212 CG ASP A 76 3.003 -8.613 1.779 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.685 -8.062 2.858 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.778 -9.809 1.493 1.00 0.00 O ATOM 0 H ASP A 76 5.101 -6.106 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 76 4.422 -6.401 2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.997 -7.099 0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.134 -8.401 -0.041 1.00 0.00 H new ATOM 1219 N GLY A 77 7.031 -7.152 2.379 1.00 0.00 N ATOM 1220 CA GLY A 77 8.247 -7.802 2.838 1.00 0.00 C ATOM 1221 C GLY A 77 9.437 -6.842 2.913 1.00 0.00 C ATOM 1222 O GLY A 77 10.541 -7.277 3.237 1.00 0.00 O ATOM 0 H GLY A 77 7.054 -6.137 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.073 -8.236 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.491 -8.625 2.166 1.00 0.00 H new ATOM 1226 N ALA A 78 9.231 -5.551 2.624 1.00 0.00 N ATOM 1227 CA ALA A 78 10.301 -4.563 2.638 1.00 0.00 C ATOM 1228 C ALA A 78 10.679 -4.179 4.070 1.00 0.00 C ATOM 1229 O ALA A 78 10.165 -4.746 5.032 1.00 0.00 O ATOM 1230 CB ALA A 78 9.842 -3.335 1.855 1.00 0.00 C ATOM 0 H ALA A 78 8.318 -5.169 2.375 1.00 0.00 H new ATOM 0 HA ALA A 78 11.190 -4.988 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.634 -2.586 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.616 -3.622 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.948 -2.920 2.321 1.00 0.00 H new ATOM 1236 N VAL A 79 11.585 -3.204 4.208 1.00 0.00 N ATOM 1237 CA VAL A 79 12.011 -2.695 5.506 1.00 0.00 C ATOM 1238 C VAL A 79 12.067 -1.171 5.460 1.00 0.00 C ATOM 1239 O VAL A 79 12.801 -0.601 4.654 1.00 0.00 O ATOM 1240 CB VAL A 79 13.383 -3.281 5.882 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.929 -2.680 7.176 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.289 -4.800 6.057 1.00 0.00 C ATOM 0 H VAL A 79 12.041 -2.748 3.418 1.00 0.00 H new ATOM 0 HA VAL A 79 11.293 -2.998 6.268 1.00 0.00 H new ATOM 0 HB VAL A 79 14.061 -3.034 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.899 -3.123 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.041 -1.602 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.237 -2.885 7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.269 -5.197 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.577 -5.032 6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.955 -5.254 5.124 1.00 0.00 H new ATOM 1252 N LEU A 80 11.289 -0.514 6.326 1.00 0.00 N ATOM 1253 CA LEU A 80 11.229 0.941 6.383 1.00 0.00 C ATOM 1254 C LEU A 80 12.535 1.493 6.952 1.00 0.00 C ATOM 1255 O LEU A 80 13.196 2.317 6.318 1.00 0.00 O ATOM 1256 CB LEU A 80 10.029 1.340 7.256 1.00 0.00 C ATOM 1257 CG LEU A 80 9.610 2.815 7.195 1.00 0.00 C ATOM 1258 CD1 LEU A 80 10.639 3.762 7.809 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.328 3.252 5.758 1.00 0.00 C ATOM 0 H LEU A 80 10.686 -0.980 7.004 1.00 0.00 H new ATOM 0 HA LEU A 80 11.102 1.359 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.175 0.729 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.261 1.092 8.292 1.00 0.00 H new ATOM 0 HG LEU A 80 8.699 2.881 7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.280 4.788 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.788 3.507 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.585 3.668 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.034 4.301 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.227 3.121 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.522 2.645 5.345 1.00 0.00 H new ATOM 1271 N ASP A 81 12.905 1.033 8.150 1.00 0.00 N ATOM 1272 CA ASP A 81 14.136 1.446 8.812 1.00 0.00 C ATOM 1273 C ASP A 81 14.705 0.353 9.727 1.00 0.00 C ATOM 1274 O ASP A 81 15.755 0.553 10.337 1.00 0.00 O ATOM 1275 CB ASP A 81 13.856 2.727 9.607 1.00 0.00 C ATOM 1276 CG ASP A 81 15.139 3.340 10.168 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.024 3.684 9.352 1.00 0.00 O ATOM 1278 OD2 ASP A 81 15.227 3.465 11.410 1.00 0.00 O ATOM 0 H ASP A 81 12.355 0.362 8.686 1.00 0.00 H new ATOM 0 HA ASP A 81 14.893 1.631 8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.358 3.452 8.964 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.172 2.504 10.426 1.00 0.00 H new ATOM 1283 N GLY A 82 14.037 -0.797 9.838 1.00 0.00 N ATOM 1284 CA GLY A 82 14.515 -1.881 10.686 1.00 0.00 C ATOM 1285 C GLY A 82 13.451 -2.937 10.999 1.00 0.00 C ATOM 1286 O GLY A 82 13.780 -3.968 11.582 1.00 0.00 O ATOM 0 H GLY A 82 13.164 -0.998 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.361 -2.365 10.198 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.884 -1.462 11.622 1.00 0.00 H new ATOM 1290 N ARG A 83 12.186 -2.699 10.625 1.00 0.00 N ATOM 1291 CA ARG A 83 11.117 -3.678 10.760 1.00 0.00 C ATOM 1292 C ARG A 83 10.508 -3.960 9.394 1.00 0.00 C ATOM 1293 O ARG A 83 10.993 -3.476 8.375 1.00 0.00 O ATOM 1294 CB ARG A 83 10.064 -3.180 11.755 1.00 0.00 C ATOM 1295 CG ARG A 83 9.311 -1.986 11.166 1.00 0.00 C ATOM 1296 CD ARG A 83 8.237 -1.478 12.124 1.00 0.00 C ATOM 1297 NE ARG A 83 8.783 -1.150 13.446 1.00 0.00 N ATOM 1298 CZ ARG A 83 8.050 -0.711 14.475 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.745 -0.483 14.339 1.00 0.00 N ATOM 1300 NH2 ARG A 83 8.629 -0.497 15.653 1.00 0.00 N ATOM 0 H ARG A 83 11.882 -1.814 10.219 1.00 0.00 H new ATOM 0 HA ARG A 83 11.523 -4.611 11.151 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.364 -3.982 11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.543 -2.893 12.691 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.014 -1.183 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.851 -2.274 10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.763 -0.593 11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.461 -2.236 12.231 1.00 0.00 H new ATOM 0 HE ARG A 83 9.786 -1.264 13.589 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.290 -0.643 13.440 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.200 -0.148 15.134 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.628 -0.668 15.769 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.074 -0.162 16.441 1.00 0.00 H new ATOM 1314 N GLU A 84 9.438 -4.748 9.373 1.00 0.00 N ATOM 1315 CA GLU A 84 8.848 -5.245 8.138 1.00 0.00 C ATOM 1316 C GLU A 84 7.765 -4.299 7.625 1.00 0.00 C ATOM 1317 O GLU A 84 7.376 -3.354 8.309 1.00 0.00 O ATOM 1318 CB GLU A 84 8.220 -6.616 8.402 1.00 0.00 C ATOM 1319 CG GLU A 84 9.293 -7.669 8.646 1.00 0.00 C ATOM 1320 CD GLU A 84 8.674 -9.052 8.829 1.00 0.00 C ATOM 1321 OE1 GLU A 84 8.086 -9.558 7.848 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.793 -9.597 9.951 1.00 0.00 O ATOM 0 H GLU A 84 8.955 -5.060 10.215 1.00 0.00 H new ATOM 0 HA GLU A 84 9.633 -5.317 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.560 -6.557 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.605 -6.908 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.988 -7.686 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.871 -7.406 9.532 1.00 0.00 H new ATOM 1329 N LEU A 85 7.281 -4.568 6.413 1.00 0.00 N ATOM 1330 CA LEU A 85 6.109 -3.904 5.863 1.00 0.00 C ATOM 1331 C LEU A 85 5.074 -4.960 5.495 1.00 0.00 C ATOM 1332 O LEU A 85 5.393 -6.143 5.376 1.00 0.00 O ATOM 1333 CB LEU A 85 6.470 -3.062 4.637 1.00 0.00 C ATOM 1334 CG LEU A 85 7.033 -1.691 5.008 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.485 -1.788 5.454 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.963 -0.782 3.787 1.00 0.00 C ATOM 0 H LEU A 85 7.696 -5.257 5.785 1.00 0.00 H new ATOM 0 HA LEU A 85 5.700 -3.227 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.202 -3.600 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.583 -2.930 4.018 1.00 0.00 H new ATOM 0 HG LEU A 85 6.441 -1.291 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.854 -0.795 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.555 -2.438 6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.087 -2.201 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.363 0.200 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.551 -1.215 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.926 -0.680 3.468 1.00 0.00 H new ATOM 1348 N ARG A 86 3.827 -4.519 5.315 1.00 0.00 N ATOM 1349 CA ARG A 86 2.707 -5.394 5.023 1.00 0.00 C ATOM 1350 C ARG A 86 1.795 -4.707 4.027 1.00 0.00 C ATOM 1351 O ARG A 86 1.471 -3.532 4.194 1.00 0.00 O ATOM 1352 CB ARG A 86 1.941 -5.660 6.322 1.00 0.00 C ATOM 1353 CG ARG A 86 2.693 -6.600 7.257 1.00 0.00 C ATOM 1354 CD ARG A 86 2.911 -7.958 6.600 1.00 0.00 C ATOM 1355 NE ARG A 86 3.520 -8.876 7.559 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.822 -9.176 7.614 1.00 0.00 C ATOM 1357 NH1 ARG A 86 5.691 -8.621 6.776 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.276 -10.039 8.514 1.00 0.00 N ATOM 0 H ARG A 86 3.572 -3.533 5.370 1.00 0.00 H new ATOM 0 HA ARG A 86 3.060 -6.337 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.757 -4.715 6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.967 -6.089 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.655 -6.162 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.132 -6.725 8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.960 -8.360 6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.553 -7.851 5.726 1.00 0.00 H new ATOM 0 HE ARG A 86 2.905 -9.323 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.369 -7.953 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.680 -8.862 6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.630 -10.479 9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.271 -10.263 8.550 1.00 0.00 H new ATOM 1372 N VAL A 87 1.384 -5.445 2.995 1.00 0.00 N ATOM 1373 CA VAL A 87 0.538 -4.920 1.934 1.00 0.00 C ATOM 1374 C VAL A 87 -0.310 -6.056 1.367 1.00 0.00 C ATOM 1375 O VAL A 87 0.226 -7.084 0.961 1.00 0.00 O ATOM 1376 CB VAL A 87 1.423 -4.336 0.827 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.558 -3.745 -0.278 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.324 -3.231 1.373 1.00 0.00 C ATOM 0 H VAL A 87 1.632 -6.427 2.875 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.113 -4.139 2.327 1.00 0.00 H new ATOM 0 HB VAL A 87 2.038 -5.146 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.197 -3.333 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.075 -4.525 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.068 -2.953 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.941 -2.834 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.709 -2.432 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.965 -3.638 2.155 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.633 -5.875 1.331 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.540 -6.910 0.853 1.00 0.00 C ATOM 1390 C GLN A 88 -3.928 -6.333 0.570 1.00 0.00 C ATOM 1391 O GLN A 88 -4.245 -5.226 1.003 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.628 -8.041 1.889 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.318 -7.645 3.204 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.596 -6.533 3.960 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -3.152 -5.465 4.188 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -1.350 -6.759 4.360 1.00 0.00 N ATOM 0 H GLN A 88 -2.096 -5.017 1.629 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.149 -7.312 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.167 -8.880 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.620 -8.392 2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.337 -7.324 2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.390 -8.523 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.905 -7.655 4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.838 -6.037 4.867 1.00 0.00 H new ATOM 1405 N MET A 89 -4.759 -7.084 -0.155 1.00 0.00 N ATOM 1406 CA MET A 89 -6.093 -6.630 -0.532 1.00 0.00 C ATOM 1407 C MET A 89 -6.981 -6.475 0.706 1.00 0.00 C ATOM 1408 O MET A 89 -6.819 -7.204 1.685 1.00 0.00 O ATOM 1409 CB MET A 89 -6.711 -7.626 -1.513 1.00 0.00 C ATOM 1410 CG MET A 89 -5.805 -7.798 -2.738 1.00 0.00 C ATOM 1411 SD MET A 89 -5.513 -6.279 -3.684 1.00 0.00 S ATOM 1412 CE MET A 89 -4.093 -6.820 -4.676 1.00 0.00 C ATOM 0 H MET A 89 -4.526 -8.017 -0.494 1.00 0.00 H new ATOM 0 HA MET A 89 -6.014 -5.655 -1.013 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.856 -8.588 -1.022 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.695 -7.276 -1.826 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.845 -8.196 -2.410 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.249 -8.542 -3.399 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.772 -6.006 -5.326 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.273 -7.101 -4.015 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.380 -7.678 -5.284 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.917 -5.525 0.657 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.838 -5.286 1.758 1.00 0.00 C ATOM 1424 C ALA A 90 -9.972 -6.317 1.784 1.00 0.00 C ATOM 1425 O ALA A 90 -10.006 -7.241 0.973 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.411 -3.874 1.647 1.00 0.00 C ATOM 0 H ALA A 90 -8.053 -4.907 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.284 -5.386 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.101 -3.695 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.599 -3.148 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.942 -3.770 0.701 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.901 -6.142 2.730 1.00 0.00 N ATOM 1433 CA ARG A 91 -12.064 -7.007 2.886 1.00 0.00 C ATOM 1434 C ARG A 91 -13.331 -6.217 3.196 1.00 0.00 C ATOM 1435 O ARG A 91 -14.427 -6.773 3.188 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.791 -7.999 4.012 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.724 -7.297 5.370 1.00 0.00 C ATOM 1438 CD ARG A 91 -11.230 -8.240 6.467 1.00 0.00 C ATOM 1439 NE ARG A 91 -12.156 -9.361 6.669 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.994 -10.308 7.594 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.946 -10.287 8.412 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -12.886 -11.290 7.705 1.00 0.00 N ATOM 0 H ARG A 91 -10.861 -5.386 3.414 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.229 -7.528 1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.575 -8.756 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.851 -8.518 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.059 -6.436 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.711 -6.917 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.245 -8.624 6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.117 -7.687 7.400 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.975 -9.419 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.255 -9.541 8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.833 -11.017 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.694 -11.318 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.762 -12.014 8.413 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.174 -4.920 3.470 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.287 -4.031 3.760 1.00 0.00 C ATOM 1458 C TYR A 92 -14.136 -2.718 2.992 1.00 0.00 C ATOM 1459 O TYR A 92 -13.124 -2.497 2.330 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.329 -3.699 5.259 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.364 -4.870 6.211 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.332 -5.877 6.068 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.423 -4.934 7.245 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.356 -6.952 6.969 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.441 -6.005 8.150 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.413 -7.018 8.016 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.440 -8.057 8.897 1.00 0.00 O ATOM 0 H TYR A 92 -12.264 -4.460 3.496 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.204 -4.539 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.456 -3.092 5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.207 -3.081 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.055 -5.824 5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.681 -4.156 7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.097 -7.730 6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.713 -6.054 8.947 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.721 -7.948 9.554 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.149 -1.853 3.088 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.080 -0.504 2.546 1.00 0.00 C ATOM 1479 C GLY A 93 -14.879 0.498 3.682 1.00 0.00 C ATOM 1480 O GLY A 93 -14.295 1.559 3.475 1.00 0.00 O ATOM 0 H GLY A 93 -16.035 -2.072 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.259 -0.430 1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.996 -0.273 2.002 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.360 0.147 4.881 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.171 0.874 6.118 1.00 0.00 C ATOM 1486 C ARG A 94 -15.291 -0.129 7.263 1.00 0.00 C ATOM 1487 O ARG A 94 -15.949 -1.161 7.117 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.255 1.941 6.296 1.00 0.00 C ATOM 1489 CG ARG A 94 -16.111 3.083 5.294 1.00 0.00 C ATOM 1490 CD ARG A 94 -17.095 4.194 5.651 1.00 0.00 C ATOM 1491 NE ARG A 94 -16.919 5.371 4.796 1.00 0.00 N ATOM 1492 CZ ARG A 94 -16.015 6.331 5.021 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -15.173 6.257 6.047 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.945 7.383 4.211 1.00 0.00 N ATOM 0 H ARG A 94 -15.919 -0.697 5.009 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.198 1.365 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.237 1.481 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.206 2.341 7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.091 3.467 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.303 2.722 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.115 3.822 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.959 4.479 6.694 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.523 5.464 3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.209 5.458 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.491 6.999 6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.581 7.459 3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.255 8.114 4.383 1.00 0.00 H new ATOM 1508 N PRO A 95 -14.667 0.168 8.403 1.00 0.00 N ATOM 1509 CA PRO A 95 -14.784 -0.583 9.638 1.00 0.00 C ATOM 1510 C PRO A 95 -16.250 -0.687 10.064 1.00 0.00 C ATOM 1511 O PRO A 95 -17.022 0.244 9.842 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.941 0.187 10.657 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.793 1.586 10.046 1.00 0.00 C ATOM 1514 CD PRO A 95 -13.777 1.292 8.564 1.00 0.00 C ATOM 0 HA PRO A 95 -14.432 -1.610 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.431 0.227 11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.971 -0.286 10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.621 2.239 10.322 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.876 2.077 10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.117 2.152 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.771 1.053 8.219 1.00 0.00 H new ATOM 1522 N PRO A 96 -16.639 -1.818 10.673 1.00 0.00 N ATOM 1523 CA PRO A 96 -18.024 -2.126 10.981 1.00 0.00 C ATOM 1524 C PRO A 96 -18.559 -1.430 12.234 1.00 0.00 C ATOM 1525 O PRO A 96 -19.776 -1.304 12.368 1.00 0.00 O ATOM 1526 CB PRO A 96 -18.030 -3.637 11.201 1.00 0.00 C ATOM 1527 CG PRO A 96 -16.649 -3.901 11.802 1.00 0.00 C ATOM 1528 CD PRO A 96 -15.760 -2.909 11.054 1.00 0.00 C ATOM 0 HA PRO A 96 -18.669 -1.779 10.174 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -18.829 -3.944 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -18.175 -4.181 10.267 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.636 -3.725 12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -16.329 -4.931 11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.946 -2.556 11.687 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.305 -3.372 10.178 1.00 0.00 H new ATOM 1536 N ASP A 97 -17.696 -0.976 13.149 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.173 -0.400 14.404 1.00 0.00 C ATOM 1538 C ASP A 97 -17.139 0.500 15.091 1.00 0.00 C ATOM 1539 O ASP A 97 -17.267 0.787 16.280 1.00 0.00 O ATOM 1540 CB ASP A 97 -18.598 -1.548 15.328 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.377 -1.053 16.546 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -20.338 -0.276 16.343 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.009 -1.452 17.675 1.00 0.00 O ATOM 0 H ASP A 97 -16.682 -0.996 13.045 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.019 0.250 14.180 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -19.212 -2.253 14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.713 -2.090 15.661 1.00 0.00 H new ATOM 1548 N SER A 98 -16.115 0.950 14.366 1.00 0.00 N ATOM 1549 CA SER A 98 -15.078 1.792 14.953 1.00 0.00 C ATOM 1550 C SER A 98 -15.602 3.179 15.311 1.00 0.00 C ATOM 1551 O SER A 98 -14.939 3.911 16.042 1.00 0.00 O ATOM 1552 CB SER A 98 -13.894 1.922 13.996 1.00 0.00 C ATOM 1553 OG SER A 98 -13.280 0.661 13.842 1.00 0.00 O ATOM 0 H SER A 98 -15.983 0.746 13.375 1.00 0.00 H new ATOM 0 HA SER A 98 -14.754 1.308 15.874 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.232 2.296 13.029 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.176 2.644 14.383 1.00 0.00 H new ATOM 0 HG SER A 98 -12.521 0.740 13.227 1.00 0.00 H new