USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot 44:sc= 0.685 USER MOD Set 1.2: B 105 A O2' : rot -65:sc= 0.574 USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 MET CE :methyl -131:sc= -1.06 (180deg=-7.57!) USER MOD Set 3.1: A 22 THR OG1 : rot -66:sc= 1.49 USER MOD Set 3.2: A 25 THR OG1 : rot -170:sc= 1.02 USER MOD Set 4.1: A 13 MET CE :methyl 177:sc= -0.242 (180deg=-0.235) USER MOD Set 4.2: A 63 HIS : no HE2:sc= -1.53 K(o=-1.8,f=-3.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0058 (180deg=-0.164) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0279 USER MOD Single : A 14 THR OG1 : rot -150:sc= 0 USER MOD Single : A 15 SER OG : rot 172:sc= 0.494 USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= 2 (180deg=0.475) USER MOD Single : A 20 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0095) 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= 0.0499 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.00276 USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.632 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -145:sc= -0.0352 (180deg=-1.18) USER MOD Single : A 88 GLN : amide:sc= -1.32 K(o=-1.3,f=-1.8) USER MOD Single : A 89 MET CE :methyl 161:sc= -0.739 (180deg=-1.38) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 70:sc= 0.23 USER MOD Single : A 99 HIS : no HD1:sc= -0.996 K(o=-1,f=-1.8) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 30:sc= 0.112 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot -173:sc= 0.575 USER MOD Single : B 104 C O2' : rot -162:sc= 1.57 USER MOD Single : B 106 G O2' : rot 34:sc= 0.233 USER MOD Single : B 107 U O2' : rot 140:sc= 0.0917 USER MOD Single : B 107 U O3' : rot 35:sc= 0.376 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.294 21.221 5.028 1.00 0.00 N ATOM 2 CA MET A 1 -4.956 19.935 4.740 1.00 0.00 C ATOM 3 C MET A 1 -4.303 19.259 3.537 1.00 0.00 C ATOM 4 O MET A 1 -3.890 19.936 2.595 1.00 0.00 O ATOM 5 CB MET A 1 -6.455 20.128 4.485 1.00 0.00 C ATOM 6 CG MET A 1 -7.170 20.633 5.741 1.00 0.00 C ATOM 7 SD MET A 1 -7.007 19.532 7.168 1.00 0.00 S ATOM 8 CE MET A 1 -8.003 20.461 8.363 1.00 0.00 C ATOM 0 H1 MET A 1 -3.974 21.233 6.017 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.475 21.339 4.398 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.966 22.000 4.872 1.00 0.00 H new ATOM 0 HA MET A 1 -4.839 19.295 5.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.600 20.838 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.897 19.184 4.167 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.774 21.614 6.004 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.228 20.767 5.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.019 19.930 9.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.569 21.451 8.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.021 20.562 7.987 1.00 0.00 H new ATOM 18 N SER A 2 -4.220 17.926 3.576 1.00 0.00 N ATOM 19 CA SER A 2 -3.582 17.140 2.523 1.00 0.00 C ATOM 20 C SER A 2 -4.282 15.797 2.317 1.00 0.00 C ATOM 21 O SER A 2 -3.758 14.931 1.620 1.00 0.00 O ATOM 22 CB SER A 2 -2.110 16.910 2.873 1.00 0.00 C ATOM 23 OG SER A 2 -1.446 18.144 3.058 1.00 0.00 O ATOM 0 H SER A 2 -4.594 17.364 4.340 1.00 0.00 H new ATOM 0 HA SER A 2 -3.659 17.701 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.035 16.311 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.625 16.345 2.077 1.00 0.00 H new ATOM 0 HG SER A 2 -0.506 17.979 3.283 1.00 0.00 H new ATOM 29 N TYR A 3 -5.464 15.617 2.921 1.00 0.00 N ATOM 30 CA TYR A 3 -6.201 14.362 2.868 1.00 0.00 C ATOM 31 C TYR A 3 -7.697 14.632 2.724 1.00 0.00 C ATOM 32 O TYR A 3 -8.132 15.780 2.746 1.00 0.00 O ATOM 33 CB TYR A 3 -5.910 13.557 4.136 1.00 0.00 C ATOM 34 CG TYR A 3 -4.425 13.394 4.368 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.708 12.463 3.607 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.767 14.189 5.318 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.322 12.319 3.786 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.381 14.070 5.492 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.651 13.141 4.717 1.00 0.00 C ATOM 40 OH TYR A 3 -0.304 13.036 4.875 1.00 0.00 O ATOM 0 H TYR A 3 -5.932 16.345 3.461 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.882 13.785 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.360 14.056 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.376 12.575 4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.222 11.853 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.328 14.893 5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.774 11.584 3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.872 14.687 6.217 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.004 13.675 5.555 1.00 0.00 H new ATOM 50 N GLY A 4 -8.492 13.570 2.577 1.00 0.00 N ATOM 51 CA GLY A 4 -9.923 13.706 2.380 1.00 0.00 C ATOM 52 C GLY A 4 -10.659 12.391 2.577 1.00 0.00 C ATOM 53 O GLY A 4 -10.037 11.347 2.768 1.00 0.00 O ATOM 0 H GLY A 4 -8.160 12.606 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.315 14.447 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.115 14.081 1.375 1.00 0.00 H new ATOM 57 N ARG A 5 -11.994 12.450 2.531 1.00 0.00 N ATOM 58 CA ARG A 5 -12.865 11.300 2.701 1.00 0.00 C ATOM 59 C ARG A 5 -12.570 10.214 1.664 1.00 0.00 C ATOM 60 O ARG A 5 -12.086 10.502 0.570 1.00 0.00 O ATOM 61 CB ARG A 5 -14.321 11.775 2.611 1.00 0.00 C ATOM 62 CG ARG A 5 -14.673 12.278 1.207 1.00 0.00 C ATOM 63 CD ARG A 5 -16.080 12.874 1.169 1.00 0.00 C ATOM 64 NE ARG A 5 -17.097 11.887 1.544 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.741 11.869 2.715 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.496 12.774 3.658 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.655 10.927 2.947 1.00 0.00 N ATOM 0 H ARG A 5 -12.502 13.320 2.371 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.686 10.852 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.987 10.956 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.488 12.573 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.948 13.030 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.605 11.455 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.133 13.726 1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.289 13.250 0.167 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.329 11.163 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.803 13.504 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.002 12.738 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.858 10.227 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.151 10.906 3.838 1.00 0.00 H new ATOM 81 N PRO A 6 -12.862 8.957 2.012 1.00 0.00 N ATOM 82 CA PRO A 6 -12.648 7.802 1.158 1.00 0.00 C ATOM 83 C PRO A 6 -13.687 7.763 0.033 1.00 0.00 C ATOM 84 O PRO A 6 -14.757 8.358 0.162 1.00 0.00 O ATOM 85 CB PRO A 6 -12.810 6.599 2.088 1.00 0.00 C ATOM 86 CG PRO A 6 -13.799 7.104 3.142 1.00 0.00 C ATOM 87 CD PRO A 6 -13.420 8.574 3.292 1.00 0.00 C ATOM 0 HA PRO A 6 -11.672 7.820 0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.196 5.729 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.860 6.304 2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.832 6.985 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.697 6.563 4.083 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.291 9.181 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.696 8.714 4.095 1.00 0.00 H new ATOM 95 N PRO A 7 -13.389 7.067 -1.073 1.00 0.00 N ATOM 96 CA PRO A 7 -14.311 6.878 -2.179 1.00 0.00 C ATOM 97 C PRO A 7 -15.646 6.280 -1.716 1.00 0.00 C ATOM 98 O PRO A 7 -15.673 5.478 -0.785 1.00 0.00 O ATOM 99 CB PRO A 7 -13.604 5.925 -3.142 1.00 0.00 C ATOM 100 CG PRO A 7 -12.122 6.133 -2.832 1.00 0.00 C ATOM 101 CD PRO A 7 -12.123 6.418 -1.334 1.00 0.00 C ATOM 0 HA PRO A 7 -14.557 7.831 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.907 4.891 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.833 6.162 -4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.531 5.250 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.703 6.963 -3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.026 5.498 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.287 7.059 -1.054 1.00 0.00 H new ATOM 109 N PRO A 8 -16.755 6.658 -2.365 1.00 0.00 N ATOM 110 CA PRO A 8 -18.087 6.163 -2.058 1.00 0.00 C ATOM 111 C PRO A 8 -18.318 4.762 -2.627 1.00 0.00 C ATOM 112 O PRO A 8 -19.433 4.245 -2.564 1.00 0.00 O ATOM 113 CB PRO A 8 -19.028 7.179 -2.696 1.00 0.00 C ATOM 114 CG PRO A 8 -18.251 7.612 -3.935 1.00 0.00 C ATOM 115 CD PRO A 8 -16.802 7.617 -3.451 1.00 0.00 C ATOM 0 HA PRO A 8 -18.246 6.065 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.990 6.736 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.232 8.018 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.397 6.920 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.563 8.597 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.119 7.336 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.505 8.609 -3.112 1.00 0.00 H new ATOM 123 N ASP A 9 -17.277 4.144 -3.183 1.00 0.00 N ATOM 124 CA ASP A 9 -17.376 2.845 -3.832 1.00 0.00 C ATOM 125 C ASP A 9 -16.135 1.998 -3.566 1.00 0.00 C ATOM 126 O ASP A 9 -15.840 1.068 -4.310 1.00 0.00 O ATOM 127 CB ASP A 9 -17.614 3.055 -5.330 1.00 0.00 C ATOM 128 CG ASP A 9 -16.388 3.602 -6.056 1.00 0.00 C ATOM 129 OD1 ASP A 9 -15.703 4.476 -5.481 1.00 0.00 O ATOM 130 OD2 ASP A 9 -16.150 3.136 -7.193 1.00 0.00 O ATOM 0 H ASP A 9 -16.336 4.537 -3.194 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.219 2.294 -3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.905 2.107 -5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.448 3.743 -5.467 1.00 0.00 H new ATOM 135 N VAL A 10 -15.408 2.329 -2.494 1.00 0.00 N ATOM 136 CA VAL A 10 -14.213 1.611 -2.059 1.00 0.00 C ATOM 137 C VAL A 10 -14.487 0.119 -1.846 1.00 0.00 C ATOM 138 O VAL A 10 -13.561 -0.687 -1.844 1.00 0.00 O ATOM 139 CB VAL A 10 -13.680 2.286 -0.788 1.00 0.00 C ATOM 140 CG1 VAL A 10 -14.713 2.247 0.341 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.388 1.632 -0.297 1.00 0.00 C ATOM 0 H VAL A 10 -15.641 3.120 -1.894 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.455 1.661 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.474 3.322 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.303 2.733 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.616 2.769 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.956 1.211 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.043 2.139 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.574 0.581 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.624 1.709 -1.071 1.00 0.00 H new ATOM 151 N GLU A 11 -15.753 -0.261 -1.668 1.00 0.00 N ATOM 152 CA GLU A 11 -16.156 -1.647 -1.476 1.00 0.00 C ATOM 153 C GLU A 11 -16.096 -2.460 -2.770 1.00 0.00 C ATOM 154 O GLU A 11 -16.281 -3.676 -2.756 1.00 0.00 O ATOM 155 CB GLU A 11 -17.585 -1.671 -0.939 1.00 0.00 C ATOM 156 CG GLU A 11 -18.572 -1.009 -1.900 1.00 0.00 C ATOM 157 CD GLU A 11 -19.991 -1.065 -1.337 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.693 -2.061 -1.627 1.00 0.00 O ATOM 159 OE2 GLU A 11 -20.367 -0.114 -0.622 1.00 0.00 O ATOM 0 H GLU A 11 -16.533 0.396 -1.654 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.459 -2.102 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.888 -2.703 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.619 -1.160 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.283 0.028 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.539 -1.511 -2.867 1.00 0.00 H new ATOM 166 N GLY A 12 -15.836 -1.780 -3.887 1.00 0.00 N ATOM 167 CA GLY A 12 -15.835 -2.372 -5.216 1.00 0.00 C ATOM 168 C GLY A 12 -14.563 -2.067 -6.004 1.00 0.00 C ATOM 169 O GLY A 12 -14.611 -1.987 -7.231 1.00 0.00 O ATOM 0 H GLY A 12 -15.617 -0.784 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.950 -3.452 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.697 -2.004 -5.772 1.00 0.00 H new ATOM 173 N MET A 13 -13.428 -1.896 -5.319 1.00 0.00 N ATOM 174 CA MET A 13 -12.148 -1.637 -5.971 1.00 0.00 C ATOM 175 C MET A 13 -11.043 -2.502 -5.364 1.00 0.00 C ATOM 176 O MET A 13 -11.266 -3.195 -4.375 1.00 0.00 O ATOM 177 CB MET A 13 -11.800 -0.151 -5.872 1.00 0.00 C ATOM 178 CG MET A 13 -12.806 0.686 -6.669 1.00 0.00 C ATOM 179 SD MET A 13 -12.375 2.439 -6.837 1.00 0.00 S ATOM 180 CE MET A 13 -12.531 2.963 -5.112 1.00 0.00 C ATOM 0 H MET A 13 -13.374 -1.934 -4.301 1.00 0.00 H new ATOM 0 HA MET A 13 -12.233 -1.902 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.804 0.161 -4.828 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.793 0.020 -6.252 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.908 0.255 -7.665 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.781 0.611 -6.188 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.248 4.012 -5.023 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.563 2.837 -4.785 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.876 2.356 -4.487 1.00 0.00 H new ATOM 190 N THR A 14 -9.849 -2.463 -5.962 1.00 0.00 N ATOM 191 CA THR A 14 -8.719 -3.291 -5.548 1.00 0.00 C ATOM 192 C THR A 14 -8.375 -3.083 -4.077 1.00 0.00 C ATOM 193 O THR A 14 -7.949 -4.019 -3.401 1.00 0.00 O ATOM 194 CB THR A 14 -7.513 -2.963 -6.430 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.880 -3.046 -7.793 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.370 -3.939 -6.181 1.00 0.00 C ATOM 0 H THR A 14 -9.641 -1.852 -6.751 1.00 0.00 H new ATOM 0 HA THR A 14 -8.994 -4.339 -5.667 1.00 0.00 H new ATOM 0 HB THR A 14 -7.184 -1.954 -6.183 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.101 -3.311 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.526 -3.682 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.064 -3.882 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.701 -4.953 -6.407 1.00 0.00 H new ATOM 203 N SER A 15 -8.559 -1.850 -3.588 1.00 0.00 N ATOM 204 CA SER A 15 -8.424 -1.483 -2.186 1.00 0.00 C ATOM 205 C SER A 15 -7.237 -2.147 -1.493 1.00 0.00 C ATOM 206 O SER A 15 -7.379 -2.688 -0.396 1.00 0.00 O ATOM 207 CB SER A 15 -9.743 -1.759 -1.463 1.00 0.00 C ATOM 208 OG SER A 15 -10.749 -0.960 -2.041 1.00 0.00 O ATOM 0 H SER A 15 -8.814 -1.061 -4.182 1.00 0.00 H new ATOM 0 HA SER A 15 -8.206 -0.416 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.005 -2.814 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.646 -1.535 -0.401 1.00 0.00 H new ATOM 0 HG SER A 15 -11.622 -1.223 -1.682 1.00 0.00 H new ATOM 214 N LEU A 16 -6.065 -2.108 -2.126 1.00 0.00 N ATOM 215 CA LEU A 16 -4.844 -2.685 -1.575 1.00 0.00 C ATOM 216 C LEU A 16 -4.380 -1.887 -0.356 1.00 0.00 C ATOM 217 O LEU A 16 -3.648 -0.914 -0.521 1.00 0.00 O ATOM 218 CB LEU A 16 -3.756 -2.657 -2.646 1.00 0.00 C ATOM 219 CG LEU A 16 -2.487 -3.360 -2.156 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.593 -4.861 -2.400 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.297 -2.829 -2.936 1.00 0.00 C ATOM 0 H LEU A 16 -5.938 -1.673 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.040 -3.712 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.119 -3.143 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.526 -1.625 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.364 -3.171 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.686 -5.352 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.453 -5.258 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.717 -5.048 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.388 -3.324 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.441 -3.027 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.207 -1.755 -2.776 1.00 0.00 H new ATOM 233 N LYS A 17 -4.782 -2.275 0.858 1.00 0.00 N ATOM 234 CA LYS A 17 -4.355 -1.543 2.042 1.00 0.00 C ATOM 235 C LYS A 17 -2.862 -1.752 2.323 1.00 0.00 C ATOM 236 O LYS A 17 -2.253 -2.676 1.787 1.00 0.00 O ATOM 237 CB LYS A 17 -5.229 -1.869 3.258 1.00 0.00 C ATOM 238 CG LYS A 17 -4.774 -3.065 4.095 1.00 0.00 C ATOM 239 CD LYS A 17 -5.647 -3.098 5.349 1.00 0.00 C ATOM 240 CE LYS A 17 -5.110 -4.063 6.404 1.00 0.00 C ATOM 241 NZ LYS A 17 -3.846 -3.590 6.987 1.00 0.00 N ATOM 0 H LYS A 17 -5.389 -3.074 1.040 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.492 -0.481 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.267 -0.991 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.246 -2.055 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.877 -3.991 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.721 -2.970 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.707 -2.096 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.661 -3.390 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.851 -4.186 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.958 -5.044 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.704 -4.035 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.057 -3.843 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.881 -2.557 7.100 1.00 0.00 H new ATOM 255 N VAL A 18 -2.275 -0.896 3.165 1.00 0.00 N ATOM 256 CA VAL A 18 -0.855 -0.905 3.490 1.00 0.00 C ATOM 257 C VAL A 18 -0.678 -0.534 4.959 1.00 0.00 C ATOM 258 O VAL A 18 -1.298 0.422 5.418 1.00 0.00 O ATOM 259 CB VAL A 18 -0.163 0.160 2.647 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.303 0.307 3.035 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.250 -0.132 1.152 1.00 0.00 C ATOM 0 H VAL A 18 -2.792 -0.161 3.649 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.434 -1.891 3.296 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.692 1.091 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.768 1.074 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.375 0.595 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.816 -0.642 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.258 0.657 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.226 -1.089 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.296 -0.172 0.849 1.00 0.00 H new ATOM 271 N ASP A 19 0.165 -1.284 5.680 1.00 0.00 N ATOM 272 CA ASP A 19 0.338 -1.142 7.124 1.00 0.00 C ATOM 273 C ASP A 19 1.726 -1.593 7.597 1.00 0.00 C ATOM 274 O ASP A 19 2.537 -2.065 6.804 1.00 0.00 O ATOM 275 CB ASP A 19 -0.744 -1.984 7.812 1.00 0.00 C ATOM 276 CG ASP A 19 -0.645 -3.472 7.473 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.153 -3.856 6.393 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.063 -4.212 8.294 1.00 0.00 O ATOM 0 H ASP A 19 0.750 -2.012 5.270 1.00 0.00 H new ATOM 0 HA ASP A 19 0.247 -0.087 7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.665 -1.856 8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.726 -1.614 7.519 1.00 0.00 H new ATOM 283 N ASN A 20 1.977 -1.437 8.906 1.00 0.00 N ATOM 284 CA ASN A 20 3.147 -1.933 9.641 1.00 0.00 C ATOM 285 C ASN A 20 4.308 -0.928 9.701 1.00 0.00 C ATOM 286 O ASN A 20 5.449 -1.327 9.926 1.00 0.00 O ATOM 287 CB ASN A 20 3.595 -3.307 9.132 1.00 0.00 C ATOM 288 CG ASN A 20 4.172 -4.150 10.258 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.429 -4.783 11.005 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.492 -4.171 10.397 1.00 0.00 N ATOM 0 H ASN A 20 1.331 -0.932 9.513 1.00 0.00 H new ATOM 0 HA ASN A 20 2.821 -2.057 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.747 -3.826 8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.342 -3.181 8.349 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.918 -4.724 11.141 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.081 -3.634 9.760 1.00 0.00 H new ATOM 297 N LEU A 21 4.035 0.364 9.505 1.00 0.00 N ATOM 298 CA LEU A 21 5.035 1.421 9.583 1.00 0.00 C ATOM 299 C LEU A 21 5.730 1.490 10.949 1.00 0.00 C ATOM 300 O LEU A 21 5.385 0.760 11.880 1.00 0.00 O ATOM 301 CB LEU A 21 4.397 2.773 9.240 1.00 0.00 C ATOM 302 CG LEU A 21 3.074 3.084 9.959 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.039 2.688 11.430 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.792 4.587 9.909 1.00 0.00 C ATOM 0 H LEU A 21 3.099 0.706 9.285 1.00 0.00 H new ATOM 0 HA LEU A 21 5.808 1.182 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.112 3.562 9.475 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.223 2.810 8.165 1.00 0.00 H new ATOM 0 HG LEU A 21 2.329 2.491 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.068 2.945 11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.202 1.614 11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.822 3.221 11.969 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.853 4.798 10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.602 5.126 10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.720 4.909 8.870 1.00 0.00 H new ATOM 316 N THR A 22 6.721 2.380 11.068 1.00 0.00 N ATOM 317 CA THR A 22 7.454 2.591 12.311 1.00 0.00 C ATOM 318 C THR A 22 6.716 3.562 13.224 1.00 0.00 C ATOM 319 O THR A 22 5.773 4.237 12.817 1.00 0.00 O ATOM 320 CB THR A 22 8.837 3.180 12.028 1.00 0.00 C ATOM 321 OG1 THR A 22 8.716 4.543 11.695 1.00 0.00 O ATOM 322 CG2 THR A 22 9.516 2.464 10.870 1.00 0.00 C ATOM 0 H THR A 22 7.035 2.974 10.300 1.00 0.00 H new ATOM 0 HA THR A 22 7.546 1.619 12.796 1.00 0.00 H new ATOM 0 HB THR A 22 9.439 3.056 12.928 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.236 4.631 10.845 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.497 2.906 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.632 1.408 11.113 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.906 2.565 9.972 1.00 0.00 H new ATOM 329 N TYR A 23 7.160 3.637 14.479 1.00 0.00 N ATOM 330 CA TYR A 23 6.621 4.555 15.470 1.00 0.00 C ATOM 331 C TYR A 23 7.007 6.011 15.168 1.00 0.00 C ATOM 332 O TYR A 23 6.777 6.895 15.991 1.00 0.00 O ATOM 333 CB TYR A 23 7.113 4.112 16.852 1.00 0.00 C ATOM 334 CG TYR A 23 8.618 4.173 17.026 1.00 0.00 C ATOM 335 CD1 TYR A 23 9.419 3.109 16.580 1.00 0.00 C ATOM 336 CD2 TYR A 23 9.208 5.290 17.638 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.810 3.165 16.729 1.00 0.00 C ATOM 338 CE2 TYR A 23 10.602 5.351 17.789 1.00 0.00 C ATOM 339 CZ TYR A 23 11.407 4.290 17.334 1.00 0.00 C ATOM 340 OH TYR A 23 12.761 4.350 17.482 1.00 0.00 O ATOM 0 H TYR A 23 7.915 3.051 14.836 1.00 0.00 H new ATOM 0 HA TYR A 23 5.532 4.523 15.442 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.645 4.740 17.610 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.779 3.091 17.034 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.961 2.245 16.121 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.590 6.102 17.992 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.425 2.348 16.381 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.057 6.213 18.255 1.00 0.00 H new ATOM 0 HH TYR A 23 13.005 5.194 17.917 1.00 0.00 H new ATOM 350 N ARG A 24 7.593 6.265 13.988 1.00 0.00 N ATOM 351 CA ARG A 24 8.072 7.582 13.579 1.00 0.00 C ATOM 352 C ARG A 24 7.635 7.944 12.157 1.00 0.00 C ATOM 353 O ARG A 24 7.849 9.076 11.730 1.00 0.00 O ATOM 354 CB ARG A 24 9.600 7.592 13.646 1.00 0.00 C ATOM 355 CG ARG A 24 10.135 7.472 15.070 1.00 0.00 C ATOM 356 CD ARG A 24 9.610 8.622 15.931 1.00 0.00 C ATOM 357 NE ARG A 24 10.286 8.670 17.232 1.00 0.00 N ATOM 358 CZ ARG A 24 9.664 8.818 18.406 1.00 0.00 C ATOM 359 NH1 ARG A 24 8.337 8.908 18.474 1.00 0.00 N ATOM 360 NH2 ARG A 24 10.375 8.881 19.529 1.00 0.00 N ATOM 0 H ARG A 24 7.747 5.544 13.283 1.00 0.00 H new ATOM 0 HA ARG A 24 7.641 8.320 14.256 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.990 6.769 13.047 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.972 8.515 13.201 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.832 6.518 15.501 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.225 7.485 15.059 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.758 9.567 15.408 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.537 8.505 16.081 1.00 0.00 H new ATOM 0 HE ARG A 24 11.302 8.584 17.242 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.779 8.864 17.622 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.879 9.021 19.378 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.392 8.816 19.493 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.903 8.994 20.426 1.00 0.00 H new ATOM 374 N THR A 25 7.032 7.006 11.428 1.00 0.00 N ATOM 375 CA THR A 25 6.565 7.252 10.070 1.00 0.00 C ATOM 376 C THR A 25 5.360 8.193 10.097 1.00 0.00 C ATOM 377 O THR A 25 4.725 8.365 11.139 1.00 0.00 O ATOM 378 CB THR A 25 6.222 5.915 9.413 1.00 0.00 C ATOM 379 OG1 THR A 25 7.374 5.102 9.386 1.00 0.00 O ATOM 380 CG2 THR A 25 5.736 6.063 7.971 1.00 0.00 C ATOM 0 H THR A 25 6.855 6.059 11.763 1.00 0.00 H new ATOM 0 HA THR A 25 7.346 7.735 9.483 1.00 0.00 H new ATOM 0 HB THR A 25 5.418 5.476 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.205 4.313 8.830 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.509 5.079 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.838 6.680 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.514 6.535 7.371 1.00 0.00 H new ATOM 387 N SER A 26 5.041 8.800 8.954 1.00 0.00 N ATOM 388 CA SER A 26 3.941 9.743 8.827 1.00 0.00 C ATOM 389 C SER A 26 3.201 9.505 7.516 1.00 0.00 C ATOM 390 O SER A 26 3.754 8.890 6.601 1.00 0.00 O ATOM 391 CB SER A 26 4.509 11.163 8.896 1.00 0.00 C ATOM 392 OG SER A 26 5.109 11.375 10.156 1.00 0.00 O ATOM 0 H SER A 26 5.548 8.646 8.083 1.00 0.00 H new ATOM 0 HA SER A 26 3.226 9.606 9.638 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.243 11.310 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.714 11.891 8.734 1.00 0.00 H new ATOM 0 HG SER A 26 5.473 12.284 10.196 1.00 0.00 H new ATOM 398 N PRO A 27 1.953 9.976 7.398 1.00 0.00 N ATOM 399 CA PRO A 27 1.120 9.696 6.241 1.00 0.00 C ATOM 400 C PRO A 27 1.594 10.462 5.007 1.00 0.00 C ATOM 401 O PRO A 27 1.205 10.127 3.888 1.00 0.00 O ATOM 402 CB PRO A 27 -0.293 10.107 6.656 1.00 0.00 C ATOM 403 CG PRO A 27 -0.061 11.208 7.691 1.00 0.00 C ATOM 404 CD PRO A 27 1.244 10.792 8.372 1.00 0.00 C ATOM 0 HA PRO A 27 1.164 8.645 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.870 10.472 5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.846 9.269 7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.026 12.188 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.884 11.268 8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.833 11.664 8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.047 10.230 9.285 1.00 0.00 H new ATOM 412 N ASP A 28 2.426 11.490 5.187 1.00 0.00 N ATOM 413 CA ASP A 28 2.985 12.225 4.064 1.00 0.00 C ATOM 414 C ASP A 28 4.151 11.438 3.472 1.00 0.00 C ATOM 415 O ASP A 28 4.401 11.500 2.270 1.00 0.00 O ATOM 416 CB ASP A 28 3.487 13.585 4.547 1.00 0.00 C ATOM 417 CG ASP A 28 3.995 14.438 3.388 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.152 14.865 2.569 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.224 14.651 3.330 1.00 0.00 O ATOM 0 H ASP A 28 2.724 11.828 6.102 1.00 0.00 H new ATOM 0 HA ASP A 28 2.217 12.367 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.681 14.110 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.288 13.442 5.273 1.00 0.00 H new ATOM 424 N THR A 29 4.859 10.691 4.319 1.00 0.00 N ATOM 425 CA THR A 29 5.971 9.879 3.859 1.00 0.00 C ATOM 426 C THR A 29 5.418 8.754 3.010 1.00 0.00 C ATOM 427 O THR A 29 5.889 8.532 1.902 1.00 0.00 O ATOM 428 CB THR A 29 6.738 9.278 5.038 1.00 0.00 C ATOM 429 OG1 THR A 29 6.620 10.088 6.191 1.00 0.00 O ATOM 430 CG2 THR A 29 8.216 9.156 4.684 1.00 0.00 C ATOM 0 H THR A 29 4.679 10.635 5.321 1.00 0.00 H new ATOM 0 HA THR A 29 6.655 10.505 3.287 1.00 0.00 H new ATOM 0 HB THR A 29 6.312 8.296 5.246 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.118 9.680 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.758 8.727 5.527 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.330 8.510 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.619 10.143 4.458 1.00 0.00 H new ATOM 437 N LEU A 30 4.414 8.038 3.527 1.00 0.00 N ATOM 438 CA LEU A 30 3.843 6.906 2.822 1.00 0.00 C ATOM 439 C LEU A 30 3.207 7.356 1.513 1.00 0.00 C ATOM 440 O LEU A 30 3.190 6.600 0.546 1.00 0.00 O ATOM 441 CB LEU A 30 2.797 6.215 3.690 1.00 0.00 C ATOM 442 CG LEU A 30 3.368 5.725 5.019 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.200 5.235 5.866 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.354 4.582 4.792 1.00 0.00 C ATOM 0 H LEU A 30 3.986 8.230 4.433 1.00 0.00 H new ATOM 0 HA LEU A 30 4.645 6.202 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.977 6.906 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.379 5.369 3.144 1.00 0.00 H new ATOM 0 HG LEU A 30 3.902 6.534 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.572 4.876 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.501 6.055 6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.690 4.423 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.750 4.247 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.844 3.754 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.174 4.928 4.162 1.00 0.00 H new ATOM 456 N ARG A 31 2.686 8.585 1.464 1.00 0.00 N ATOM 457 CA ARG A 31 2.074 9.097 0.248 1.00 0.00 C ATOM 458 C ARG A 31 3.124 9.131 -0.852 1.00 0.00 C ATOM 459 O ARG A 31 2.850 8.723 -1.977 1.00 0.00 O ATOM 460 CB ARG A 31 1.479 10.482 0.518 1.00 0.00 C ATOM 461 CG ARG A 31 1.167 11.249 -0.770 1.00 0.00 C ATOM 462 CD ARG A 31 0.177 10.496 -1.662 1.00 0.00 C ATOM 463 NE ARG A 31 0.097 11.125 -2.986 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.847 11.985 -3.380 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.837 12.350 -2.568 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.792 12.485 -4.610 1.00 0.00 N ATOM 0 H ARG A 31 2.678 9.235 2.250 1.00 0.00 H new ATOM 0 HA ARG A 31 1.260 8.449 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.565 10.373 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.177 11.062 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.757 12.227 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.091 11.423 -1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.489 9.457 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.808 10.489 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 31 0.823 10.886 -3.662 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.887 11.972 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.546 13.008 -2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.037 12.211 -5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.505 13.142 -4.926 1.00 0.00 H new ATOM 480 N ARG A 32 4.327 9.612 -0.542 1.00 0.00 N ATOM 481 CA ARG A 32 5.382 9.747 -1.542 1.00 0.00 C ATOM 482 C ARG A 32 6.086 8.412 -1.773 1.00 0.00 C ATOM 483 O ARG A 32 6.416 8.071 -2.907 1.00 0.00 O ATOM 484 CB ARG A 32 6.381 10.785 -1.031 1.00 0.00 C ATOM 485 CG ARG A 32 7.540 10.975 -2.012 1.00 0.00 C ATOM 486 CD ARG A 32 8.516 11.999 -1.445 1.00 0.00 C ATOM 487 NE ARG A 32 9.648 12.214 -2.351 1.00 0.00 N ATOM 488 CZ ARG A 32 9.663 13.098 -3.355 1.00 0.00 C ATOM 489 NH1 ARG A 32 8.605 13.863 -3.607 1.00 0.00 N ATOM 490 NH2 ARG A 32 10.748 13.217 -4.116 1.00 0.00 N ATOM 0 H ARG A 32 4.594 9.915 0.395 1.00 0.00 H new ATOM 0 HA ARG A 32 4.953 10.062 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.872 11.737 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.770 10.472 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.048 10.026 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.163 11.311 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.998 12.943 -1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.882 11.658 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 32 10.485 11.649 -2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.767 13.780 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.631 14.533 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.565 12.635 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.762 13.890 -4.882 1.00 0.00 H new ATOM 504 N VAL A 33 6.318 7.664 -0.695 1.00 0.00 N ATOM 505 CA VAL A 33 6.964 6.358 -0.733 1.00 0.00 C ATOM 506 C VAL A 33 6.198 5.390 -1.626 1.00 0.00 C ATOM 507 O VAL A 33 6.810 4.548 -2.276 1.00 0.00 O ATOM 508 CB VAL A 33 7.025 5.811 0.699 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.295 4.311 0.743 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.112 6.543 1.479 1.00 0.00 C ATOM 0 H VAL A 33 6.056 7.957 0.246 1.00 0.00 H new ATOM 0 HA VAL A 33 7.967 6.464 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 33 6.048 5.980 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.328 3.977 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.500 3.783 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.251 4.099 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.155 6.154 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.075 6.391 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.884 7.609 1.508 1.00 0.00 H new ATOM 520 N PHE A 34 4.869 5.509 -1.664 1.00 0.00 N ATOM 521 CA PHE A 34 4.025 4.590 -2.412 1.00 0.00 C ATOM 522 C PHE A 34 3.527 5.209 -3.720 1.00 0.00 C ATOM 523 O PHE A 34 2.980 4.500 -4.565 1.00 0.00 O ATOM 524 CB PHE A 34 2.849 4.186 -1.527 1.00 0.00 C ATOM 525 CG PHE A 34 3.201 3.092 -0.542 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.833 3.398 0.672 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.905 1.757 -0.852 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.178 2.378 1.566 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.237 0.735 0.048 1.00 0.00 C ATOM 530 CZ PHE A 34 3.881 1.045 1.252 1.00 0.00 C ATOM 0 H PHE A 34 4.355 6.243 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 34 4.612 3.713 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.495 5.060 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.026 3.849 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.055 4.426 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.420 1.516 -1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.672 2.618 2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.996 -0.291 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.149 0.256 1.939 1.00 0.00 H new ATOM 540 N GLU A 35 3.712 6.517 -3.899 1.00 0.00 N ATOM 541 CA GLU A 35 3.278 7.193 -5.118 1.00 0.00 C ATOM 542 C GLU A 35 4.105 6.755 -6.335 1.00 0.00 C ATOM 543 O GLU A 35 3.658 6.897 -7.472 1.00 0.00 O ATOM 544 CB GLU A 35 3.337 8.712 -4.919 1.00 0.00 C ATOM 545 CG GLU A 35 3.017 9.486 -6.197 1.00 0.00 C ATOM 546 CD GLU A 35 2.789 10.964 -5.890 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.660 11.301 -5.471 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.745 11.749 -6.078 1.00 0.00 O ATOM 0 H GLU A 35 4.159 7.128 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 35 2.246 6.907 -5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.633 9.000 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.331 8.990 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.837 9.379 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.129 9.066 -6.669 1.00 0.00 H new ATOM 555 N LYS A 36 5.310 6.222 -6.113 1.00 0.00 N ATOM 556 CA LYS A 36 6.175 5.782 -7.204 1.00 0.00 C ATOM 557 C LYS A 36 5.670 4.494 -7.842 1.00 0.00 C ATOM 558 O LYS A 36 6.032 4.175 -8.971 1.00 0.00 O ATOM 559 CB LYS A 36 7.592 5.602 -6.668 1.00 0.00 C ATOM 560 CG LYS A 36 7.705 4.407 -5.719 1.00 0.00 C ATOM 561 CD LYS A 36 9.126 4.254 -5.175 1.00 0.00 C ATOM 562 CE LYS A 36 9.516 5.464 -4.326 1.00 0.00 C ATOM 563 NZ LYS A 36 10.869 5.295 -3.767 1.00 0.00 N ATOM 0 H LYS A 36 5.707 6.086 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 36 6.169 6.543 -7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.280 5.467 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.899 6.508 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.009 4.533 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.415 3.496 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.195 3.346 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.827 4.144 -6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.479 6.368 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.797 5.594 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.114 6.127 -3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.894 4.444 -3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.555 5.194 -4.542 1.00 0.00 H new ATOM 577 N TYR A 37 4.832 3.754 -7.111 1.00 0.00 N ATOM 578 CA TYR A 37 4.252 2.502 -7.583 1.00 0.00 C ATOM 579 C TYR A 37 2.987 2.745 -8.399 1.00 0.00 C ATOM 580 O TYR A 37 2.517 1.844 -9.091 1.00 0.00 O ATOM 581 CB TYR A 37 3.903 1.630 -6.373 1.00 0.00 C ATOM 582 CG TYR A 37 5.106 1.236 -5.552 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.642 2.134 -4.620 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.681 -0.029 -5.728 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.766 1.780 -3.866 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.804 -0.391 -4.972 1.00 0.00 C ATOM 587 CZ TYR A 37 7.362 0.515 -4.051 1.00 0.00 C ATOM 588 OH TYR A 37 8.468 0.164 -3.335 1.00 0.00 O ATOM 0 H TYR A 37 4.537 4.012 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 37 4.982 2.006 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.199 2.168 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.397 0.729 -6.718 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.186 3.103 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.261 -0.722 -6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.176 2.472 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.243 -1.370 -5.097 1.00 0.00 H new ATOM 0 HH TYR A 37 8.747 -0.741 -3.586 1.00 0.00 H new ATOM 598 N GLY A 38 2.439 3.961 -8.321 1.00 0.00 N ATOM 599 CA GLY A 38 1.204 4.327 -8.981 1.00 0.00 C ATOM 600 C GLY A 38 0.435 5.269 -8.069 1.00 0.00 C ATOM 601 O GLY A 38 0.933 5.663 -7.013 1.00 0.00 O ATOM 0 H GLY A 38 2.855 4.724 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.413 4.809 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.611 3.438 -9.196 1.00 0.00 H new ATOM 605 N ARG A 39 -0.780 5.631 -8.472 1.00 0.00 N ATOM 606 CA ARG A 39 -1.620 6.480 -7.645 1.00 0.00 C ATOM 607 C ARG A 39 -1.968 5.711 -6.377 1.00 0.00 C ATOM 608 O ARG A 39 -2.581 4.648 -6.438 1.00 0.00 O ATOM 609 CB ARG A 39 -2.860 6.975 -8.408 1.00 0.00 C ATOM 610 CG ARG A 39 -3.799 5.869 -8.906 1.00 0.00 C ATOM 611 CD ARG A 39 -4.950 6.532 -9.668 1.00 0.00 C ATOM 612 NE ARG A 39 -5.844 5.536 -10.264 1.00 0.00 N ATOM 613 CZ ARG A 39 -6.804 5.824 -11.147 1.00 0.00 C ATOM 614 NH1 ARG A 39 -7.027 7.082 -11.527 1.00 0.00 N ATOM 615 NH2 ARG A 39 -7.551 4.847 -11.652 1.00 0.00 N ATOM 0 H ARG A 39 -1.199 5.351 -9.359 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.081 7.386 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.424 7.645 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.530 7.564 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.262 5.177 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.182 5.288 -8.067 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.516 7.171 -8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.547 7.175 -10.450 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.726 4.561 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.461 7.839 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.763 7.288 -12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.390 3.882 -11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.285 5.063 -12.326 1.00 0.00 H new ATOM 629 N VAL A 40 -1.567 6.260 -5.229 1.00 0.00 N ATOM 630 CA VAL A 40 -1.781 5.627 -3.932 1.00 0.00 C ATOM 631 C VAL A 40 -3.259 5.374 -3.653 1.00 0.00 C ATOM 632 O VAL A 40 -3.577 4.605 -2.757 1.00 0.00 O ATOM 633 CB VAL A 40 -1.179 6.454 -2.794 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.316 6.669 -3.027 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.878 7.804 -2.643 1.00 0.00 C ATOM 0 H VAL A 40 -1.084 7.157 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.271 4.665 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.326 5.894 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.731 7.259 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.820 5.704 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.465 7.198 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.421 8.361 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.778 8.371 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.935 7.645 -2.428 1.00 0.00 H new ATOM 645 N GLY A 41 -4.147 6.022 -4.414 1.00 0.00 N ATOM 646 CA GLY A 41 -5.592 5.861 -4.317 1.00 0.00 C ATOM 647 C GLY A 41 -6.169 6.569 -3.096 1.00 0.00 C ATOM 648 O GLY A 41 -7.050 7.420 -3.234 1.00 0.00 O ATOM 0 H GLY A 41 -3.868 6.690 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.061 6.255 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.835 4.800 -4.268 1.00 0.00 H new ATOM 652 N ASP A 42 -5.677 6.226 -1.907 1.00 0.00 N ATOM 653 CA ASP A 42 -6.056 6.867 -0.660 1.00 0.00 C ATOM 654 C ASP A 42 -4.939 6.656 0.361 1.00 0.00 C ATOM 655 O ASP A 42 -4.081 5.797 0.177 1.00 0.00 O ATOM 656 CB ASP A 42 -7.369 6.261 -0.156 1.00 0.00 C ATOM 657 CG ASP A 42 -7.934 7.054 1.014 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.459 8.156 0.755 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.833 6.557 2.159 1.00 0.00 O ATOM 0 H ASP A 42 -4.991 5.480 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.204 7.936 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.096 6.239 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.201 5.228 0.150 1.00 0.00 H new ATOM 664 N VAL A 43 -4.942 7.440 1.442 1.00 0.00 N ATOM 665 CA VAL A 43 -3.917 7.363 2.469 1.00 0.00 C ATOM 666 C VAL A 43 -4.499 7.822 3.802 1.00 0.00 C ATOM 667 O VAL A 43 -5.072 8.905 3.896 1.00 0.00 O ATOM 668 CB VAL A 43 -2.705 8.203 2.043 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.133 9.567 1.490 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.733 8.393 3.206 1.00 0.00 C ATOM 0 H VAL A 43 -5.658 8.144 1.624 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.578 6.335 2.595 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.198 7.656 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.249 10.135 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.775 9.422 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.680 10.115 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.884 8.992 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.241 8.903 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.380 7.420 3.548 1.00 0.00 H new ATOM 680 N TYR A 44 -4.348 6.992 4.841 1.00 0.00 N ATOM 681 CA TYR A 44 -4.863 7.320 6.157 1.00 0.00 C ATOM 682 C TYR A 44 -4.033 6.681 7.267 1.00 0.00 C ATOM 683 O TYR A 44 -3.370 5.667 7.056 1.00 0.00 O ATOM 684 CB TYR A 44 -6.326 6.876 6.254 1.00 0.00 C ATOM 685 CG TYR A 44 -7.107 7.615 7.317 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.089 9.019 7.359 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.860 6.899 8.259 1.00 0.00 C ATOM 688 CE1 TYR A 44 -7.813 9.708 8.341 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.602 7.584 9.229 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.575 8.992 9.284 1.00 0.00 C ATOM 691 OH TYR A 44 -9.277 9.658 10.243 1.00 0.00 O ATOM 0 H TYR A 44 -3.872 6.091 4.787 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.798 8.400 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.809 7.026 5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.361 5.807 6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.514 9.571 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.868 5.819 8.236 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.787 10.787 8.375 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.198 7.030 9.939 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.740 10.421 9.839 1.00 0.00 H new ATOM 701 N ILE A 45 -4.077 7.288 8.455 1.00 0.00 N ATOM 702 CA ILE A 45 -3.541 6.748 9.696 1.00 0.00 C ATOM 703 C ILE A 45 -4.563 7.149 10.752 1.00 0.00 C ATOM 704 O ILE A 45 -4.515 8.257 11.286 1.00 0.00 O ATOM 705 CB ILE A 45 -2.132 7.275 10.010 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.128 6.745 8.980 1.00 0.00 C ATOM 707 CG2 ILE A 45 -1.731 6.779 11.403 1.00 0.00 C ATOM 708 CD1 ILE A 45 0.289 7.252 9.246 1.00 0.00 C ATOM 0 H ILE A 45 -4.505 8.206 8.578 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.406 5.668 9.646 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.132 8.364 9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.132 5.655 8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.440 7.049 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.732 7.143 11.645 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.442 7.152 12.141 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.733 5.689 11.416 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.966 6.851 8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.300 8.341 9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.613 6.926 10.234 1.00 0.00 H new ATOM 720 N PRO A 46 -5.500 6.242 11.055 1.00 0.00 N ATOM 721 CA PRO A 46 -6.710 6.532 11.802 1.00 0.00 C ATOM 722 C PRO A 46 -6.529 6.749 13.293 1.00 0.00 C ATOM 723 O PRO A 46 -7.491 7.115 13.971 1.00 0.00 O ATOM 724 CB PRO A 46 -7.593 5.313 11.550 1.00 0.00 C ATOM 725 CG PRO A 46 -6.588 4.175 11.428 1.00 0.00 C ATOM 726 CD PRO A 46 -5.459 4.846 10.659 1.00 0.00 C ATOM 0 HA PRO A 46 -7.126 7.482 11.466 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.293 5.146 12.369 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.186 5.426 10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.261 3.811 12.402 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.999 3.321 10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.496 4.397 10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.598 4.738 9.583 1.00 0.00 H new ATOM 734 N ARG A 47 -5.312 6.533 13.798 1.00 0.00 N ATOM 735 CA ARG A 47 -5.037 6.530 15.232 1.00 0.00 C ATOM 736 C ARG A 47 -6.246 5.928 15.964 1.00 0.00 C ATOM 737 O ARG A 47 -6.687 4.825 15.657 1.00 0.00 O ATOM 738 CB ARG A 47 -4.770 7.960 15.718 1.00 0.00 C ATOM 739 CG ARG A 47 -3.709 8.736 14.942 1.00 0.00 C ATOM 740 CD ARG A 47 -2.345 8.047 14.986 1.00 0.00 C ATOM 741 NE ARG A 47 -1.248 8.982 14.693 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.123 9.737 13.594 1.00 0.00 C ATOM 743 NH1 ARG A 47 -2.024 9.709 12.614 1.00 0.00 N ATOM 744 NH2 ARG A 47 -0.073 10.539 13.471 1.00 0.00 N ATOM 0 H ARG A 47 -4.490 6.355 13.221 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.151 5.930 15.441 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.705 8.519 15.677 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.470 7.918 16.765 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.026 8.845 13.905 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.621 9.741 15.355 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.193 7.606 15.971 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.328 7.230 14.265 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.512 9.063 15.394 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.839 9.100 12.688 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.899 10.297 11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.630 10.576 14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.032 11.118 12.638 1.00 0.00 H new ATOM 758 N ASP A 48 -6.770 6.677 16.931 1.00 0.00 N ATOM 759 CA ASP A 48 -8.039 6.433 17.588 1.00 0.00 C ATOM 760 C ASP A 48 -8.630 7.817 17.831 1.00 0.00 C ATOM 761 O ASP A 48 -7.947 8.702 18.354 1.00 0.00 O ATOM 762 CB ASP A 48 -7.827 5.647 18.880 1.00 0.00 C ATOM 763 CG ASP A 48 -9.043 5.736 19.799 1.00 0.00 C ATOM 764 OD1 ASP A 48 -9.135 6.761 20.506 1.00 0.00 O ATOM 765 OD2 ASP A 48 -9.857 4.788 19.783 1.00 0.00 O ATOM 0 H ASP A 48 -6.296 7.506 17.290 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.718 5.825 16.990 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.626 4.602 18.642 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.949 6.030 19.400 1.00 0.00 H new ATOM 770 N ARG A 49 -9.892 8.017 17.452 1.00 0.00 N ATOM 771 CA ARG A 49 -10.502 9.340 17.409 1.00 0.00 C ATOM 772 C ARG A 49 -10.784 9.948 18.787 1.00 0.00 C ATOM 773 O ARG A 49 -11.549 10.906 18.882 1.00 0.00 O ATOM 774 CB ARG A 49 -11.743 9.277 16.513 1.00 0.00 C ATOM 775 CG ARG A 49 -12.930 8.596 17.206 1.00 0.00 C ATOM 776 CD ARG A 49 -14.077 8.427 16.205 1.00 0.00 C ATOM 777 NE ARG A 49 -14.463 9.716 15.622 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.326 10.571 16.176 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.936 10.281 17.323 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.583 11.728 15.578 1.00 0.00 N ATOM 0 H ARG A 49 -10.518 7.264 17.167 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.780 10.033 16.977 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.028 10.287 16.220 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.500 8.736 15.598 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.628 7.624 17.597 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.260 9.193 18.056 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.775 7.742 15.413 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.936 7.978 16.704 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.043 9.978 14.730 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.747 9.395 17.792 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.593 10.945 17.733 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.122 11.961 14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.242 12.384 15.998 1.00 0.00 H new ATOM 794 N TYR A 50 -10.177 9.408 19.851 1.00 0.00 N ATOM 795 CA TYR A 50 -10.371 9.919 21.208 1.00 0.00 C ATOM 796 C TYR A 50 -9.068 9.957 22.006 1.00 0.00 C ATOM 797 O TYR A 50 -9.016 10.577 23.067 1.00 0.00 O ATOM 798 CB TYR A 50 -11.355 9.041 21.977 1.00 0.00 C ATOM 799 CG TYR A 50 -12.600 8.636 21.231 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.643 9.550 21.040 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.702 7.328 20.740 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.797 9.157 20.348 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.850 6.928 20.048 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.903 7.845 19.845 1.00 0.00 C ATOM 805 OH TYR A 50 -16.021 7.472 19.162 1.00 0.00 O ATOM 0 H TYR A 50 -9.543 8.611 19.794 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.755 10.933 21.097 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.834 8.137 22.293 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.653 9.570 22.882 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.559 10.556 21.425 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.894 6.628 20.896 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.604 9.859 20.200 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.930 5.920 19.670 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.936 6.537 18.882 1.00 0.00 H new ATOM 815 N THR A 51 -8.018 9.299 21.503 1.00 0.00 N ATOM 816 CA THR A 51 -6.756 9.169 22.216 1.00 0.00 C ATOM 817 C THR A 51 -5.558 9.407 21.295 1.00 0.00 C ATOM 818 O THR A 51 -4.431 9.543 21.775 1.00 0.00 O ATOM 819 CB THR A 51 -6.685 7.773 22.851 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.617 6.798 21.835 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.914 7.482 23.715 1.00 0.00 C ATOM 0 H THR A 51 -8.026 8.844 20.590 1.00 0.00 H new ATOM 0 HA THR A 51 -6.713 9.931 22.994 1.00 0.00 H new ATOM 0 HB THR A 51 -5.797 7.742 23.482 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.422 6.848 21.279 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.827 6.485 24.147 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.980 8.220 24.515 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.812 7.534 23.099 1.00 0.00 H new ATOM 828 N LYS A 52 -5.803 9.461 19.981 1.00 0.00 N ATOM 829 CA LYS A 52 -4.840 9.791 18.934 1.00 0.00 C ATOM 830 C LYS A 52 -3.433 9.237 19.182 1.00 0.00 C ATOM 831 O LYS A 52 -2.454 9.973 19.065 1.00 0.00 O ATOM 832 CB LYS A 52 -4.821 11.305 18.712 1.00 0.00 C ATOM 833 CG LYS A 52 -6.213 11.812 18.326 1.00 0.00 C ATOM 834 CD LYS A 52 -6.163 13.314 18.055 1.00 0.00 C ATOM 835 CE LYS A 52 -7.554 13.814 17.661 1.00 0.00 C ATOM 836 NZ LYS A 52 -7.545 15.266 17.400 1.00 0.00 N ATOM 0 H LYS A 52 -6.730 9.264 19.603 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.176 9.293 18.025 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.484 11.807 19.619 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.107 11.554 17.927 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.568 11.286 17.440 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.921 11.602 19.127 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.814 13.842 18.943 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.451 13.526 17.258 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.895 13.284 16.772 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.263 13.589 18.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.501 15.577 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.242 15.771 18.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.885 15.475 16.624 1.00 0.00 H new ATOM 850 N GLU A 53 -3.313 7.947 19.522 1.00 0.00 N ATOM 851 CA GLU A 53 -2.010 7.358 19.839 1.00 0.00 C ATOM 852 C GLU A 53 -1.784 5.986 19.201 1.00 0.00 C ATOM 853 O GLU A 53 -0.773 5.339 19.476 1.00 0.00 O ATOM 854 CB GLU A 53 -1.838 7.275 21.361 1.00 0.00 C ATOM 855 CG GLU A 53 -2.880 6.358 22.001 1.00 0.00 C ATOM 856 CD GLU A 53 -2.647 6.237 23.505 1.00 0.00 C ATOM 857 OE1 GLU A 53 -3.104 7.140 24.240 1.00 0.00 O ATOM 858 OE2 GLU A 53 -2.007 5.240 23.915 1.00 0.00 O ATOM 0 H GLU A 53 -4.097 7.297 19.584 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.255 8.016 19.409 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.839 6.908 21.594 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.919 8.273 21.791 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.880 6.750 21.814 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.834 5.371 21.541 1.00 0.00 H new ATOM 865 N SER A 54 -2.704 5.523 18.349 1.00 0.00 N ATOM 866 CA SER A 54 -2.603 4.209 17.720 1.00 0.00 C ATOM 867 C SER A 54 -1.754 4.262 16.450 1.00 0.00 C ATOM 868 O SER A 54 -2.038 3.562 15.479 1.00 0.00 O ATOM 869 CB SER A 54 -4.001 3.669 17.424 1.00 0.00 C ATOM 870 OG SER A 54 -4.787 3.689 18.596 1.00 0.00 O ATOM 0 H SER A 54 -3.535 6.049 18.079 1.00 0.00 H new ATOM 0 HA SER A 54 -2.103 3.532 18.412 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.475 4.271 16.649 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.932 2.651 17.040 1.00 0.00 H new ATOM 0 HG SER A 54 -5.682 3.343 18.396 1.00 0.00 H new ATOM 876 N ARG A 55 -0.707 5.100 16.459 1.00 0.00 N ATOM 877 CA ARG A 55 0.225 5.308 15.353 1.00 0.00 C ATOM 878 C ARG A 55 0.982 4.031 14.963 1.00 0.00 C ATOM 879 O ARG A 55 1.842 4.071 14.091 1.00 0.00 O ATOM 880 CB ARG A 55 1.199 6.420 15.767 1.00 0.00 C ATOM 881 CG ARG A 55 1.994 7.002 14.595 1.00 0.00 C ATOM 882 CD ARG A 55 2.895 8.116 15.116 1.00 0.00 C ATOM 883 NE ARG A 55 3.687 8.718 14.039 1.00 0.00 N ATOM 884 CZ ARG A 55 4.488 9.774 14.203 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.630 10.344 15.396 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.157 10.266 13.166 1.00 0.00 N ATOM 0 H ARG A 55 -0.482 5.672 17.273 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.338 5.595 14.465 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.639 7.221 16.250 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.895 6.026 16.508 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.592 6.224 14.121 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.316 7.390 13.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.286 8.884 15.593 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.562 7.718 15.880 1.00 0.00 H new ATOM 0 HE ARG A 55 3.622 8.305 13.108 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.124 9.975 16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.245 11.150 15.506 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.059 9.837 12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.769 11.072 13.290 1.00 0.00 H new ATOM 900 N GLY A 56 0.671 2.901 15.598 1.00 0.00 N ATOM 901 CA GLY A 56 1.341 1.631 15.357 1.00 0.00 C ATOM 902 C GLY A 56 1.104 1.058 13.959 1.00 0.00 C ATOM 903 O GLY A 56 1.724 0.054 13.610 1.00 0.00 O ATOM 0 H GLY A 56 -0.064 2.845 16.303 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.412 1.763 15.508 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.002 0.907 16.098 1.00 0.00 H new ATOM 907 N PHE A 57 0.229 1.660 13.148 1.00 0.00 N ATOM 908 CA PHE A 57 -0.036 1.186 11.798 1.00 0.00 C ATOM 909 C PHE A 57 -0.523 2.313 10.892 1.00 0.00 C ATOM 910 O PHE A 57 -0.641 3.458 11.319 1.00 0.00 O ATOM 911 CB PHE A 57 -1.049 0.041 11.844 1.00 0.00 C ATOM 912 CG PHE A 57 -2.468 0.506 12.032 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.889 1.019 13.267 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.368 0.432 10.960 1.00 0.00 C ATOM 915 CE1 PHE A 57 -4.210 1.453 13.428 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.686 0.878 11.118 1.00 0.00 C ATOM 917 CZ PHE A 57 -5.111 1.374 12.357 1.00 0.00 C ATOM 0 H PHE A 57 -0.310 2.485 13.412 1.00 0.00 H new ATOM 0 HA PHE A 57 0.897 0.817 11.373 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.982 -0.531 10.919 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.785 -0.635 12.657 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.195 1.079 14.093 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.045 0.031 10.011 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.535 1.849 14.379 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.374 0.840 10.286 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.134 1.696 12.487 1.00 0.00 H new ATOM 927 N ALA A 58 -0.801 1.969 9.633 1.00 0.00 N ATOM 928 CA ALA A 58 -1.246 2.908 8.614 1.00 0.00 C ATOM 929 C ALA A 58 -2.253 2.244 7.682 1.00 0.00 C ATOM 930 O ALA A 58 -2.565 1.065 7.839 1.00 0.00 O ATOM 931 CB ALA A 58 -0.033 3.409 7.825 1.00 0.00 C ATOM 0 H ALA A 58 -0.720 1.011 9.292 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.737 3.755 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.362 4.113 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.661 3.907 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.466 2.564 7.350 1.00 0.00 H new ATOM 937 N PHE A 59 -2.762 3.007 6.712 1.00 0.00 N ATOM 938 CA PHE A 59 -3.790 2.536 5.809 1.00 0.00 C ATOM 939 C PHE A 59 -3.718 3.217 4.436 1.00 0.00 C ATOM 940 O PHE A 59 -4.658 3.901 4.034 1.00 0.00 O ATOM 941 CB PHE A 59 -5.136 2.777 6.491 1.00 0.00 C ATOM 942 CG PHE A 59 -6.223 1.803 6.112 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.315 1.294 4.806 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.139 1.400 7.088 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.322 0.369 4.490 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.138 0.475 6.771 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.223 -0.048 5.475 1.00 0.00 C ATOM 0 H PHE A 59 -2.466 3.968 6.538 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.648 1.474 5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.992 2.736 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.473 3.786 6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.614 1.613 4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.075 1.804 8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.401 -0.021 3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.845 0.164 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.985 -0.774 5.236 1.00 0.00 H new ATOM 957 N VAL A 60 -2.618 3.045 3.694 1.00 0.00 N ATOM 958 CA VAL A 60 -2.597 3.517 2.302 1.00 0.00 C ATOM 959 C VAL A 60 -3.428 2.524 1.492 1.00 0.00 C ATOM 960 O VAL A 60 -3.447 1.351 1.849 1.00 0.00 O ATOM 961 CB VAL A 60 -1.167 3.628 1.757 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.171 4.306 0.389 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.291 4.449 2.698 1.00 0.00 C ATOM 0 H VAL A 60 -1.759 2.599 4.017 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.015 4.522 2.233 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.767 2.618 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.150 4.378 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.771 3.719 -0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.595 5.306 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.718 4.514 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.707 5.451 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.258 3.969 3.676 1.00 0.00 H new ATOM 973 N ARG A 61 -4.117 2.946 0.420 1.00 0.00 N ATOM 974 CA ARG A 61 -5.032 2.047 -0.279 1.00 0.00 C ATOM 975 C ARG A 61 -5.211 2.372 -1.759 1.00 0.00 C ATOM 976 O ARG A 61 -5.832 3.374 -2.111 1.00 0.00 O ATOM 977 CB ARG A 61 -6.378 2.099 0.433 1.00 0.00 C ATOM 978 CG ARG A 61 -7.406 1.249 -0.311 1.00 0.00 C ATOM 979 CD ARG A 61 -8.722 1.176 0.456 1.00 0.00 C ATOM 980 NE ARG A 61 -9.340 2.499 0.621 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.165 3.275 1.693 1.00 0.00 C ATOM 982 NH1 ARG A 61 -8.321 2.928 2.658 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.839 4.416 1.813 1.00 0.00 N ATOM 0 H ARG A 61 -4.057 3.886 0.029 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.598 1.047 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.270 1.738 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.725 3.131 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.582 1.670 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.012 0.243 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.412 0.517 -0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.546 0.734 1.437 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.939 2.845 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.795 2.057 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.199 3.532 3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.493 4.701 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.702 5.005 2.634 1.00 0.00 H new ATOM 997 N PHE A 62 -4.661 1.511 -2.623 1.00 0.00 N ATOM 998 CA PHE A 62 -4.740 1.668 -4.069 1.00 0.00 C ATOM 999 C PHE A 62 -6.095 1.189 -4.586 1.00 0.00 C ATOM 1000 O PHE A 62 -6.837 0.531 -3.856 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.632 0.846 -4.739 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.226 1.261 -4.376 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.675 0.904 -3.138 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.459 1.998 -5.291 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.360 1.274 -2.820 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.142 2.360 -4.979 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.412 1.990 -3.745 1.00 0.00 C ATOM 0 H PHE A 62 -4.146 0.681 -2.330 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.618 2.724 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.766 -0.203 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.749 0.918 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.264 0.343 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.886 2.287 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.058 1.007 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.446 2.924 -5.688 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.431 2.256 -3.508 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.416 1.512 -5.843 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.703 1.177 -6.447 1.00 0.00 C ATOM 1019 C HIS A 63 -7.545 0.552 -7.833 1.00 0.00 C ATOM 1020 O HIS A 63 -8.544 0.343 -8.524 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.557 2.441 -6.570 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.697 3.217 -5.291 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.235 2.741 -4.095 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.317 4.518 -5.131 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.172 3.777 -3.246 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.630 4.856 -3.836 1.00 0.00 N ATOM 0 H HIS A 63 -5.787 2.014 -6.469 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.185 0.446 -5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -8.119 3.089 -7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.550 2.162 -6.923 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.598 1.806 -3.907 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.861 5.155 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.512 3.748 -2.221 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.314 0.252 -8.245 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.038 -0.307 -9.563 1.00 0.00 C ATOM 1036 C ASP A 64 -5.109 -1.507 -9.438 1.00 0.00 C ATOM 1037 O ASP A 64 -4.115 -1.450 -8.718 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.403 0.767 -10.448 1.00 0.00 C ATOM 1039 CG ASP A 64 -6.305 1.992 -10.578 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -6.202 2.880 -9.703 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -7.089 2.039 -11.550 1.00 0.00 O ATOM 0 H ASP A 64 -5.481 0.391 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.971 -0.639 -10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.442 1.065 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.204 0.354 -11.437 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.440 -2.592 -10.141 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.734 -3.857 -9.998 1.00 0.00 C ATOM 1048 C LYS A 65 -3.256 -3.770 -10.369 1.00 0.00 C ATOM 1049 O LYS A 65 -2.438 -4.453 -9.760 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.439 -4.938 -10.825 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.363 -4.661 -12.329 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.083 -5.750 -13.121 1.00 0.00 C ATOM 1053 CE LYS A 65 -7.572 -5.753 -12.784 1.00 0.00 C ATOM 1054 NZ LYS A 65 -8.294 -6.772 -13.570 1.00 0.00 N ATOM 0 H LYS A 65 -6.201 -2.614 -10.820 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.762 -4.122 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.987 -5.907 -10.613 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.484 -5.001 -10.522 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.810 -3.691 -12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.320 -4.608 -12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.945 -5.584 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.649 -6.723 -12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.707 -5.948 -11.720 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.995 -4.768 -12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.303 -6.752 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.184 -6.570 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.904 -7.713 -13.360 1.00 0.00 H new ATOM 1068 N ARG A 66 -2.884 -2.947 -11.354 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.493 -2.921 -11.791 1.00 0.00 C ATOM 1070 C ARG A 66 -0.623 -2.152 -10.798 1.00 0.00 C ATOM 1071 O ARG A 66 0.499 -2.571 -10.505 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.408 -2.338 -13.206 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.740 -0.843 -13.248 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.712 -0.319 -14.687 1.00 0.00 C ATOM 1075 NE ARG A 66 -2.745 -0.949 -15.519 1.00 0.00 N ATOM 1076 CZ ARG A 66 -2.892 -0.727 -16.829 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -2.080 0.114 -17.464 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -3.854 -1.345 -17.504 1.00 0.00 N ATOM 0 H ARG A 66 -3.508 -2.309 -11.849 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.106 -3.940 -11.822 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.404 -2.495 -13.600 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.094 -2.877 -13.859 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.725 -0.672 -12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.024 -0.290 -12.641 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.858 0.761 -14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.731 -0.506 -15.123 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.391 -1.597 -15.069 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.340 0.594 -16.951 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.197 0.279 -18.464 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.481 -1.990 -17.023 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.966 -1.175 -18.504 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.139 -1.041 -10.274 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.427 -0.244 -9.284 1.00 0.00 C ATOM 1094 C ASP A 67 -0.391 -1.012 -7.964 1.00 0.00 C ATOM 1095 O ASP A 67 0.541 -0.860 -7.177 1.00 0.00 O ATOM 1096 CB ASP A 67 -1.150 1.093 -9.089 1.00 0.00 C ATOM 1097 CG ASP A 67 -1.199 1.909 -10.383 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.200 1.879 -11.132 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -2.241 2.559 -10.613 1.00 0.00 O ATOM 0 H ASP A 67 -2.057 -0.672 -10.524 1.00 0.00 H new ATOM 0 HA ASP A 67 0.591 -0.051 -9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.165 0.909 -8.737 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.644 1.670 -8.315 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.414 -1.840 -7.729 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.542 -2.588 -6.497 1.00 0.00 C ATOM 1106 C ALA A 68 -0.710 -3.874 -6.504 1.00 0.00 C ATOM 1107 O ALA A 68 -0.077 -4.199 -5.501 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.013 -2.934 -6.286 1.00 0.00 C ATOM 0 H ALA A 68 -2.170 -2.003 -8.394 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.166 -1.966 -5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.125 -3.498 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.597 -2.016 -6.224 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.369 -3.535 -7.123 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.695 -4.615 -7.617 1.00 0.00 N ATOM 1115 CA GLU A 69 0.055 -5.860 -7.655 1.00 0.00 C ATOM 1116 C GLU A 69 1.550 -5.593 -7.555 1.00 0.00 C ATOM 1117 O GLU A 69 2.275 -6.406 -6.980 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.255 -6.660 -8.923 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.633 -7.315 -8.842 1.00 0.00 C ATOM 1120 CD GLU A 69 -1.901 -8.176 -10.076 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.505 -9.363 -10.049 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.501 -7.646 -11.039 1.00 0.00 O ATOM 0 H GLU A 69 -1.183 -4.377 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.253 -6.455 -6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.213 -6.001 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.507 -7.426 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.696 -7.930 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.401 -6.546 -8.756 1.00 0.00 H new ATOM 1129 N ASP A 70 2.029 -4.468 -8.096 1.00 0.00 N ATOM 1130 CA ASP A 70 3.436 -4.127 -7.937 1.00 0.00 C ATOM 1131 C ASP A 70 3.719 -3.673 -6.505 1.00 0.00 C ATOM 1132 O ASP A 70 4.766 -3.994 -5.939 1.00 0.00 O ATOM 1133 CB ASP A 70 3.802 -2.996 -8.902 1.00 0.00 C ATOM 1134 CG ASP A 70 3.876 -3.457 -10.360 1.00 0.00 C ATOM 1135 OD1 ASP A 70 4.075 -4.672 -10.583 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.732 -2.584 -11.246 1.00 0.00 O ATOM 0 H ASP A 70 1.477 -3.798 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 70 4.034 -5.012 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.064 -2.198 -8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.764 -2.574 -8.611 1.00 0.00 H new ATOM 1141 N ALA A 71 2.788 -2.922 -5.912 1.00 0.00 N ATOM 1142 CA ALA A 71 2.971 -2.374 -4.584 1.00 0.00 C ATOM 1143 C ALA A 71 3.125 -3.477 -3.539 1.00 0.00 C ATOM 1144 O ALA A 71 3.831 -3.277 -2.555 1.00 0.00 O ATOM 1145 CB ALA A 71 1.784 -1.475 -4.240 1.00 0.00 C ATOM 0 H ALA A 71 1.895 -2.683 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 71 3.890 -1.787 -4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.919 -1.061 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.721 -0.663 -4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.864 -2.059 -4.270 1.00 0.00 H new ATOM 1151 N MET A 72 2.489 -4.635 -3.729 1.00 0.00 N ATOM 1152 CA MET A 72 2.640 -5.724 -2.766 1.00 0.00 C ATOM 1153 C MET A 72 3.795 -6.639 -3.160 1.00 0.00 C ATOM 1154 O MET A 72 4.405 -7.263 -2.295 1.00 0.00 O ATOM 1155 CB MET A 72 1.345 -6.518 -2.622 1.00 0.00 C ATOM 1156 CG MET A 72 1.090 -7.322 -3.889 1.00 0.00 C ATOM 1157 SD MET A 72 -0.498 -8.182 -3.962 1.00 0.00 S ATOM 1158 CE MET A 72 -0.231 -9.063 -5.519 1.00 0.00 C ATOM 0 H MET A 72 1.879 -4.839 -4.521 1.00 0.00 H new ATOM 0 HA MET A 72 2.870 -5.282 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.411 -7.186 -1.763 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.511 -5.841 -2.436 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.158 -6.650 -4.744 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.887 -8.058 -3.997 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.173 -9.134 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.497 -8.522 -6.123 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.144 -10.065 -5.310 1.00 0.00 H new ATOM 1168 N ASP A 73 4.106 -6.719 -4.456 1.00 0.00 N ATOM 1169 CA ASP A 73 5.217 -7.528 -4.938 1.00 0.00 C ATOM 1170 C ASP A 73 6.561 -6.918 -4.526 1.00 0.00 C ATOM 1171 O ASP A 73 7.600 -7.559 -4.679 1.00 0.00 O ATOM 1172 CB ASP A 73 5.125 -7.667 -6.457 1.00 0.00 C ATOM 1173 CG ASP A 73 6.207 -8.588 -7.017 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.196 -9.783 -6.644 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.036 -8.092 -7.816 1.00 0.00 O ATOM 0 H ASP A 73 3.597 -6.228 -5.191 1.00 0.00 H new ATOM 0 HA ASP A 73 5.155 -8.518 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.143 -8.057 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.214 -6.683 -6.917 1.00 0.00 H new ATOM 1180 N ALA A 74 6.551 -5.688 -4.003 1.00 0.00 N ATOM 1181 CA ALA A 74 7.778 -5.019 -3.606 1.00 0.00 C ATOM 1182 C ALA A 74 7.731 -4.406 -2.204 1.00 0.00 C ATOM 1183 O ALA A 74 8.775 -3.976 -1.710 1.00 0.00 O ATOM 1184 CB ALA A 74 8.060 -3.942 -4.643 1.00 0.00 C ATOM 0 H ALA A 74 5.704 -5.142 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 74 8.572 -5.764 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.977 -3.415 -4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.175 -4.403 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.230 -3.236 -4.669 1.00 0.00 H new ATOM 1190 N MET A 75 6.562 -4.354 -1.554 1.00 0.00 N ATOM 1191 CA MET A 75 6.485 -3.883 -0.171 1.00 0.00 C ATOM 1192 C MET A 75 6.023 -4.961 0.807 1.00 0.00 C ATOM 1193 O MET A 75 6.328 -4.852 1.996 1.00 0.00 O ATOM 1194 CB MET A 75 5.539 -2.693 -0.043 1.00 0.00 C ATOM 1195 CG MET A 75 5.952 -1.464 -0.848 1.00 0.00 C ATOM 1196 SD MET A 75 7.400 -0.581 -0.209 1.00 0.00 S ATOM 1197 CE MET A 75 6.876 1.100 -0.637 1.00 0.00 C ATOM 0 H MET A 75 5.668 -4.629 -1.960 1.00 0.00 H new ATOM 0 HA MET A 75 7.503 -3.593 0.088 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.543 -3.001 -0.361 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.466 -2.415 1.008 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.156 -1.772 -1.874 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.110 -0.772 -0.884 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.688 1.614 -1.152 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.004 1.054 -1.290 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.621 1.644 0.272 1.00 0.00 H new ATOM 1207 N ASP A 76 5.297 -5.999 0.367 1.00 0.00 N ATOM 1208 CA ASP A 76 4.898 -7.041 1.304 1.00 0.00 C ATOM 1209 C ASP A 76 6.133 -7.744 1.867 1.00 0.00 C ATOM 1210 O ASP A 76 6.923 -8.315 1.119 1.00 0.00 O ATOM 1211 CB ASP A 76 3.973 -8.054 0.624 1.00 0.00 C ATOM 1212 CG ASP A 76 3.465 -9.085 1.627 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.038 -8.664 2.725 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.504 -10.290 1.289 1.00 0.00 O ATOM 0 H ASP A 76 4.987 -6.132 -0.596 1.00 0.00 H new ATOM 0 HA ASP A 76 4.352 -6.577 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.129 -7.535 0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.508 -8.557 -0.182 1.00 0.00 H new ATOM 1219 N GLY A 77 6.297 -7.704 3.192 1.00 0.00 N ATOM 1220 CA GLY A 77 7.413 -8.347 3.873 1.00 0.00 C ATOM 1221 C GLY A 77 8.715 -7.549 3.758 1.00 0.00 C ATOM 1222 O GLY A 77 9.759 -8.009 4.217 1.00 0.00 O ATOM 0 H GLY A 77 5.655 -7.222 3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.164 -8.478 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.564 -9.342 3.455 1.00 0.00 H new ATOM 1226 N ALA A 78 8.659 -6.358 3.153 1.00 0.00 N ATOM 1227 CA ALA A 78 9.818 -5.497 2.985 1.00 0.00 C ATOM 1228 C ALA A 78 10.240 -4.868 4.311 1.00 0.00 C ATOM 1229 O ALA A 78 9.719 -5.214 5.374 1.00 0.00 O ATOM 1230 CB ALA A 78 9.488 -4.427 1.948 1.00 0.00 C ATOM 0 H ALA A 78 7.799 -5.968 2.766 1.00 0.00 H new ATOM 0 HA ALA A 78 10.662 -6.093 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.350 -3.774 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.241 -4.904 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.637 -3.838 2.291 1.00 0.00 H new ATOM 1236 N VAL A 79 11.196 -3.935 4.251 1.00 0.00 N ATOM 1237 CA VAL A 79 11.768 -3.279 5.423 1.00 0.00 C ATOM 1238 C VAL A 79 11.894 -1.780 5.147 1.00 0.00 C ATOM 1239 O VAL A 79 12.092 -1.381 4.002 1.00 0.00 O ATOM 1240 CB VAL A 79 13.152 -3.888 5.701 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.869 -3.175 6.850 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.039 -5.380 6.034 1.00 0.00 C ATOM 0 H VAL A 79 11.598 -3.612 3.371 1.00 0.00 H new ATOM 0 HA VAL A 79 11.128 -3.425 6.293 1.00 0.00 H new ATOM 0 HB VAL A 79 13.737 -3.759 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.843 -3.637 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.004 -2.123 6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.272 -3.257 7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.032 -5.786 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.416 -5.509 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.588 -5.907 5.193 1.00 0.00 H new ATOM 1252 N LEU A 80 11.781 -0.957 6.192 1.00 0.00 N ATOM 1253 CA LEU A 80 11.934 0.489 6.069 1.00 0.00 C ATOM 1254 C LEU A 80 13.072 1.009 6.940 1.00 0.00 C ATOM 1255 O LEU A 80 14.025 1.591 6.421 1.00 0.00 O ATOM 1256 CB LEU A 80 10.616 1.158 6.472 1.00 0.00 C ATOM 1257 CG LEU A 80 10.747 2.677 6.600 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.195 3.305 5.287 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.384 3.230 7.002 1.00 0.00 C ATOM 0 H LEU A 80 11.582 -1.275 7.141 1.00 0.00 H new ATOM 0 HA LEU A 80 12.180 0.729 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.851 0.923 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.277 0.744 7.422 1.00 0.00 H new ATOM 0 HG LEU A 80 11.501 2.916 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.279 4.385 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.164 2.896 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.463 3.084 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.446 4.314 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.649 2.977 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.081 2.795 7.955 1.00 0.00 H new ATOM 1271 N ASP A 81 12.984 0.805 8.255 1.00 0.00 N ATOM 1272 CA ASP A 81 14.018 1.259 9.179 1.00 0.00 C ATOM 1273 C ASP A 81 14.673 0.094 9.924 1.00 0.00 C ATOM 1274 O ASP A 81 15.661 0.285 10.637 1.00 0.00 O ATOM 1275 CB ASP A 81 13.402 2.248 10.173 1.00 0.00 C ATOM 1276 CG ASP A 81 12.659 1.526 11.294 1.00 0.00 C ATOM 1277 OD1 ASP A 81 11.976 0.527 10.979 1.00 0.00 O ATOM 1278 OD2 ASP A 81 12.777 1.974 12.455 1.00 0.00 O ATOM 0 H ASP A 81 12.203 0.326 8.703 1.00 0.00 H new ATOM 0 HA ASP A 81 14.802 1.749 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.187 2.873 10.599 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.715 2.912 9.649 1.00 0.00 H new ATOM 1283 N GLY A 82 14.123 -1.116 9.762 1.00 0.00 N ATOM 1284 CA GLY A 82 14.645 -2.320 10.390 1.00 0.00 C ATOM 1285 C GLY A 82 13.533 -3.308 10.747 1.00 0.00 C ATOM 1286 O GLY A 82 13.815 -4.472 11.029 1.00 0.00 O ATOM 0 H GLY A 82 13.297 -1.280 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.355 -2.801 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.193 -2.050 11.292 1.00 0.00 H new ATOM 1290 N ARG A 83 12.273 -2.849 10.738 1.00 0.00 N ATOM 1291 CA ARG A 83 11.120 -3.709 10.983 1.00 0.00 C ATOM 1292 C ARG A 83 10.577 -4.220 9.655 1.00 0.00 C ATOM 1293 O ARG A 83 11.274 -4.201 8.646 1.00 0.00 O ATOM 1294 CB ARG A 83 10.048 -2.973 11.798 1.00 0.00 C ATOM 1295 CG ARG A 83 9.485 -1.757 11.061 1.00 0.00 C ATOM 1296 CD ARG A 83 8.275 -1.172 11.793 1.00 0.00 C ATOM 1297 NE ARG A 83 8.452 -1.094 13.255 1.00 0.00 N ATOM 1298 CZ ARG A 83 9.434 -0.462 13.911 1.00 0.00 C ATOM 1299 NH1 ARG A 83 10.418 0.160 13.273 1.00 0.00 N ATOM 1300 NH2 ARG A 83 9.425 -0.457 15.242 1.00 0.00 N ATOM 0 H ARG A 83 12.032 -1.874 10.561 1.00 0.00 H new ATOM 0 HA ARG A 83 11.430 -4.568 11.579 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.236 -3.662 12.030 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.475 -2.652 12.748 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.259 -0.995 10.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.197 -2.044 10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.074 -0.173 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.398 -1.781 11.573 1.00 0.00 H new ATOM 0 HE ARG A 83 7.754 -1.571 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.441 0.166 12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.151 0.632 13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.677 -0.930 15.749 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.166 0.020 15.755 1.00 0.00 H new ATOM 1314 N GLU A 84 9.332 -4.675 9.663 1.00 0.00 N ATOM 1315 CA GLU A 84 8.695 -5.274 8.507 1.00 0.00 C ATOM 1316 C GLU A 84 7.675 -4.299 7.939 1.00 0.00 C ATOM 1317 O GLU A 84 7.368 -3.286 8.564 1.00 0.00 O ATOM 1318 CB GLU A 84 8.001 -6.573 8.917 1.00 0.00 C ATOM 1319 CG GLU A 84 9.038 -7.650 9.230 1.00 0.00 C ATOM 1320 CD GLU A 84 8.355 -8.970 9.569 1.00 0.00 C ATOM 1321 OE1 GLU A 84 8.115 -9.756 8.625 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.077 -9.189 10.771 1.00 0.00 O ATOM 0 H GLU A 84 8.731 -4.636 10.486 1.00 0.00 H new ATOM 0 HA GLU A 84 9.445 -5.498 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.373 -6.398 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.345 -6.912 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.699 -7.786 8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.660 -7.331 10.066 1.00 0.00 H new ATOM 1329 N LEU A 85 7.155 -4.609 6.755 1.00 0.00 N ATOM 1330 CA LEU A 85 6.159 -3.802 6.073 1.00 0.00 C ATOM 1331 C LEU A 85 5.098 -4.741 5.513 1.00 0.00 C ATOM 1332 O LEU A 85 5.374 -5.919 5.288 1.00 0.00 O ATOM 1333 CB LEU A 85 6.837 -3.003 4.955 1.00 0.00 C ATOM 1334 CG LEU A 85 7.868 -1.991 5.465 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.464 -1.288 4.251 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.242 -0.945 6.394 1.00 0.00 C ATOM 0 H LEU A 85 7.422 -5.445 6.236 1.00 0.00 H new ATOM 0 HA LEU A 85 5.689 -3.094 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.327 -3.695 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.074 -2.475 4.383 1.00 0.00 H new ATOM 0 HG LEU A 85 8.627 -2.522 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.204 -0.559 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.942 -2.023 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.673 -0.779 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.011 -0.250 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.468 -0.398 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.801 -1.443 7.258 1.00 0.00 H new ATOM 1348 N ARG A 86 3.888 -4.227 5.283 1.00 0.00 N ATOM 1349 CA ARG A 86 2.785 -5.048 4.816 1.00 0.00 C ATOM 1350 C ARG A 86 1.878 -4.295 3.866 1.00 0.00 C ATOM 1351 O ARG A 86 1.789 -3.068 3.900 1.00 0.00 O ATOM 1352 CB ARG A 86 1.951 -5.520 6.000 1.00 0.00 C ATOM 1353 CG ARG A 86 2.532 -6.794 6.609 1.00 0.00 C ATOM 1354 CD ARG A 86 1.369 -7.671 7.069 1.00 0.00 C ATOM 1355 NE ARG A 86 0.491 -6.937 7.987 1.00 0.00 N ATOM 1356 CZ ARG A 86 -0.418 -7.490 8.792 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.593 -8.808 8.830 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -1.156 -6.703 9.566 1.00 0.00 N ATOM 0 H ARG A 86 3.654 -3.243 5.415 1.00 0.00 H new ATOM 0 HA ARG A 86 3.220 -5.895 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.912 -4.736 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.926 -5.702 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.141 -7.323 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.182 -6.552 7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.798 -8.007 6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.754 -8.563 7.563 1.00 0.00 H new ATOM 0 HE ARG A 86 0.583 -5.921 8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.027 -9.415 8.237 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.293 -9.212 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.023 -5.692 9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.855 -7.109 10.187 1.00 0.00 H new ATOM 1372 N VAL A 87 1.211 -5.066 3.015 1.00 0.00 N ATOM 1373 CA VAL A 87 0.313 -4.554 1.997 1.00 0.00 C ATOM 1374 C VAL A 87 -0.455 -5.723 1.382 1.00 0.00 C ATOM 1375 O VAL A 87 0.137 -6.734 1.007 1.00 0.00 O ATOM 1376 CB VAL A 87 1.154 -3.813 0.954 1.00 0.00 C ATOM 1377 CG1 VAL A 87 2.364 -4.644 0.550 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.334 -3.479 -0.283 1.00 0.00 C ATOM 0 H VAL A 87 1.283 -6.083 3.017 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.416 -3.860 2.415 1.00 0.00 H new ATOM 0 HB VAL A 87 1.491 -2.882 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.948 -4.099 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.981 -4.838 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.030 -5.591 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.960 -2.953 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.040 -4.400 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.506 -2.844 -0.002 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.780 -5.584 1.275 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.642 -6.616 0.710 1.00 0.00 C ATOM 1390 C GLN A 88 -4.048 -6.060 0.494 1.00 0.00 C ATOM 1391 O GLN A 88 -4.387 -5.006 1.027 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.702 -7.831 1.651 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.200 -7.482 3.062 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.140 -6.768 3.900 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.053 -7.292 4.126 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.449 -5.562 4.370 1.00 0.00 N ATOM 0 H GLN A 88 -2.282 -4.750 1.579 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.230 -6.931 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.359 -8.586 1.218 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.709 -8.276 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.084 -6.849 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.506 -8.396 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.361 -5.153 4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.774 -5.047 4.935 1.00 0.00 H new ATOM 1405 N MET A 89 -4.875 -6.765 -0.286 1.00 0.00 N ATOM 1406 CA MET A 89 -6.224 -6.321 -0.607 1.00 0.00 C ATOM 1407 C MET A 89 -7.092 -6.232 0.652 1.00 0.00 C ATOM 1408 O MET A 89 -6.899 -6.989 1.605 1.00 0.00 O ATOM 1409 CB MET A 89 -6.852 -7.273 -1.627 1.00 0.00 C ATOM 1410 CG MET A 89 -6.190 -7.137 -3.000 1.00 0.00 C ATOM 1411 SD MET A 89 -4.470 -7.708 -3.104 1.00 0.00 S ATOM 1412 CE MET A 89 -4.016 -6.964 -4.695 1.00 0.00 C ATOM 0 H MET A 89 -4.622 -7.658 -0.709 1.00 0.00 H new ATOM 0 HA MET A 89 -6.166 -5.322 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.756 -8.300 -1.275 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.918 -7.064 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.783 -7.694 -3.726 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.224 -6.089 -3.297 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.930 -6.912 -4.775 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.411 -7.574 -5.508 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.434 -5.959 -4.759 1.00 0.00 H new ATOM 1422 N ALA A 90 -8.049 -5.301 0.655 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.951 -5.095 1.782 1.00 0.00 C ATOM 1424 C ALA A 90 -9.966 -6.237 1.909 1.00 0.00 C ATOM 1425 O ALA A 90 -9.991 -7.158 1.089 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.667 -3.755 1.613 1.00 0.00 C ATOM 0 H ALA A 90 -8.218 -4.669 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.364 -5.084 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.343 -3.595 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.932 -2.951 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.238 -3.762 0.684 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.810 -6.168 2.947 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.832 -7.178 3.212 1.00 0.00 C ATOM 1434 C ARG A 91 -13.138 -6.580 3.725 1.00 0.00 C ATOM 1435 O ARG A 91 -14.131 -7.288 3.878 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.290 -8.161 4.246 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.225 -7.511 5.629 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.420 -8.356 6.619 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.077 -9.641 6.887 1.00 0.00 N ATOM 1440 CZ ARG A 91 -10.695 -10.491 7.842 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -9.653 -10.215 8.626 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -11.354 -11.634 8.024 1.00 0.00 N ATOM 0 H ARG A 91 -10.800 -5.407 3.626 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.057 -7.676 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.927 -9.045 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.296 -8.497 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.774 -6.522 5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.236 -7.369 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.421 -8.533 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.298 -7.807 7.553 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.875 -9.900 6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.136 -9.345 8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.372 -10.874 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.153 -11.862 7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.059 -12.282 8.755 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.123 -5.275 3.989 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.270 -4.560 4.523 1.00 0.00 C ATOM 1458 C TYR A 92 -14.560 -3.301 3.710 1.00 0.00 C ATOM 1459 O TYR A 92 -13.886 -3.019 2.718 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.013 -4.185 5.985 1.00 0.00 C ATOM 1461 CG TYR A 92 -13.779 -5.346 6.923 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -14.700 -6.399 6.998 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -12.632 -5.361 7.730 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -14.483 -7.465 7.886 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -12.407 -6.419 8.623 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.332 -7.475 8.702 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.121 -8.508 9.568 1.00 0.00 O ATOM 0 H TYR A 92 -12.306 -4.684 3.836 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.139 -5.215 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.145 -3.527 6.026 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -14.865 -3.612 6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.579 -6.391 6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -11.918 -4.553 7.663 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.195 -8.275 7.944 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.526 -6.422 9.248 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.283 -8.361 10.054 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.570 -2.544 4.142 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.998 -1.314 3.490 1.00 0.00 C ATOM 1479 C GLY A 93 -16.049 -0.148 4.479 1.00 0.00 C ATOM 1480 O GLY A 93 -16.752 0.826 4.211 1.00 0.00 O ATOM 0 H GLY A 93 -16.120 -2.776 4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.313 -1.074 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.982 -1.459 3.045 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.308 -0.280 5.588 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.057 0.653 6.686 1.00 0.00 C ATOM 1486 C ARG A 94 -15.475 0.006 8.008 1.00 0.00 C ATOM 1487 O ARG A 94 -16.449 -0.741 8.055 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.701 2.021 6.481 1.00 0.00 C ATOM 1489 CG ARG A 94 -14.925 2.773 5.394 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.578 4.119 5.073 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.429 5.061 6.189 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.950 6.291 6.228 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.701 6.748 5.229 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.717 7.070 7.278 1.00 0.00 N ATOM 0 H ARG A 94 -14.810 -1.155 5.752 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.986 0.856 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.745 1.907 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.690 2.587 7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.898 2.934 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.879 2.165 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.126 4.540 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.636 3.971 4.858 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.887 4.753 6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.886 6.157 4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.091 7.689 5.274 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.143 6.729 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.112 8.010 7.313 1.00 0.00 H new ATOM 1508 N PRO A 95 -14.737 0.292 9.086 1.00 0.00 N ATOM 1509 CA PRO A 95 -14.899 -0.315 10.394 1.00 0.00 C ATOM 1510 C PRO A 95 -16.184 0.130 11.088 1.00 0.00 C ATOM 1511 O PRO A 95 -16.463 1.326 11.169 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.675 0.140 11.190 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.309 1.477 10.552 1.00 0.00 C ATOM 1514 CD PRO A 95 -13.637 1.228 9.087 1.00 0.00 C ATOM 0 HA PRO A 95 -14.975 -1.399 10.315 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.904 0.251 12.250 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.858 -0.577 11.114 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.891 2.300 10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.258 1.725 10.698 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.912 2.155 8.584 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.776 0.821 8.557 1.00 0.00 H new ATOM 1522 N PRO A 96 -16.978 -0.829 11.591 1.00 0.00 N ATOM 1523 CA PRO A 96 -18.131 -0.568 12.433 1.00 0.00 C ATOM 1524 C PRO A 96 -17.688 -0.385 13.889 1.00 0.00 C ATOM 1525 O PRO A 96 -16.502 -0.483 14.203 1.00 0.00 O ATOM 1526 CB PRO A 96 -18.983 -1.831 12.296 1.00 0.00 C ATOM 1527 CG PRO A 96 -17.925 -2.926 12.187 1.00 0.00 C ATOM 1528 CD PRO A 96 -16.818 -2.256 11.377 1.00 0.00 C ATOM 0 HA PRO A 96 -18.668 0.336 12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -19.634 -1.978 13.158 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.624 -1.796 11.415 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -17.571 -3.244 13.168 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.312 -3.813 11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -15.835 -2.593 11.706 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.903 -2.504 10.319 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.657 -0.121 14.772 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.463 -0.033 16.214 1.00 0.00 C ATOM 1538 C ASP A 97 -17.242 0.797 16.633 1.00 0.00 C ATOM 1539 O ASP A 97 -16.625 0.518 17.661 1.00 0.00 O ATOM 1540 CB ASP A 97 -18.438 -1.456 16.785 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.539 -1.471 18.311 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.380 -0.714 18.844 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -17.773 -2.240 18.934 1.00 0.00 O ATOM 0 H ASP A 97 -19.624 0.041 14.490 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.301 0.520 16.639 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -19.264 -2.029 16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.517 -1.952 16.479 1.00 0.00 H new ATOM 1548 N SER A 98 -16.885 1.821 15.848 1.00 0.00 N ATOM 1549 CA SER A 98 -15.775 2.713 16.174 1.00 0.00 C ATOM 1550 C SER A 98 -16.159 4.171 15.961 1.00 0.00 C ATOM 1551 O SER A 98 -15.605 5.060 16.606 1.00 0.00 O ATOM 1552 CB SER A 98 -14.562 2.382 15.303 1.00 0.00 C ATOM 1553 OG SER A 98 -14.152 1.050 15.522 1.00 0.00 O ATOM 0 H SER A 98 -17.358 2.051 14.974 1.00 0.00 H new ATOM 0 HA SER A 98 -15.528 2.566 17.225 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.811 2.525 14.251 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.744 3.064 15.533 1.00 0.00 H new ATOM 0 HG SER A 98 -14.819 0.437 15.148 1.00 0.00 H new ATOM 1559 N HIS A 99 -17.111 4.423 15.058 1.00 0.00 N ATOM 1560 CA HIS A 99 -17.610 5.760 14.801 1.00 0.00 C ATOM 1561 C HIS A 99 -19.001 5.668 14.177 1.00 0.00 C ATOM 1562 O HIS A 99 -19.290 4.748 13.417 1.00 0.00 O ATOM 1563 CB HIS A 99 -16.641 6.488 13.864 1.00 0.00 C ATOM 1564 CG HIS A 99 -17.164 7.838 13.453 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -17.462 8.229 12.146 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -17.429 8.873 14.303 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -17.893 9.499 12.245 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -17.885 9.908 13.525 1.00 0.00 N ATOM 0 H HIS A 99 -17.552 3.700 14.489 1.00 0.00 H new ATOM 0 HA HIS A 99 -17.683 6.321 15.733 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -15.678 6.608 14.360 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -16.469 5.880 12.976 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -17.304 8.877 15.376 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -18.204 10.108 11.409 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.169 10.828 13.861 1.00 0.00 H new ATOM 1576 N HIS A 100 -19.863 6.632 14.511 1.00 0.00 N ATOM 1577 CA HIS A 100 -21.246 6.662 14.058 1.00 0.00 C ATOM 1578 C HIS A 100 -21.846 8.041 14.324 1.00 0.00 C ATOM 1579 O HIS A 100 -21.220 8.876 14.982 1.00 0.00 O ATOM 1580 CB HIS A 100 -22.037 5.585 14.807 1.00 0.00 C ATOM 1581 CG HIS A 100 -21.777 5.578 16.289 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -20.834 4.770 16.933 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -22.408 6.356 17.218 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -20.926 5.083 18.235 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -21.864 6.024 18.437 1.00 0.00 N ATOM 0 H HIS A 100 -19.613 7.419 15.110 1.00 0.00 H new ATOM 0 HA HIS A 100 -21.291 6.465 12.987 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -23.102 5.739 14.633 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -21.785 4.607 14.396 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -23.181 7.087 17.032 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -20.327 4.638 19.016 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -22.127 6.423 19.338 1.00 0.00 H new ATOM 1593 N SER A 101 -23.061 8.272 13.816 1.00 0.00 N ATOM 1594 CA SER A 101 -23.769 9.540 13.942 1.00 0.00 C ATOM 1595 C SER A 101 -25.264 9.298 14.090 1.00 0.00 C ATOM 1596 O SER A 101 -25.820 8.566 13.244 1.00 0.00 O ATOM 1597 CB SER A 101 -23.510 10.410 12.713 1.00 0.00 C ATOM 1598 OG SER A 101 -22.132 10.697 12.603 1.00 0.00 O ATOM 1599 OXT SER A 101 -25.844 9.848 15.056 1.00 0.00 O ATOM 0 H SER A 101 -23.585 7.567 13.297 1.00 0.00 H new ATOM 0 HA SER A 101 -23.403 10.054 14.830 1.00 0.00 H new ATOM 0 HB2 SER A 101 -23.855 9.897 11.815 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.078 11.337 12.788 1.00 0.00 H new ATOM 0 HG SER A 101 -21.976 11.254 11.812 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -8.896 -3.520 13.929 1.00 0.00 O ATOM 1607 C5' U B 102 -7.699 -4.272 13.965 1.00 0.00 C ATOM 1608 C4' U B 102 -6.543 -3.466 13.375 1.00 0.00 C ATOM 1609 O4' U B 102 -6.166 -2.437 14.277 1.00 0.00 O ATOM 1610 C3' U B 102 -5.330 -4.380 13.173 1.00 0.00 C ATOM 1611 O3' U B 102 -4.681 -4.055 11.958 1.00 0.00 O ATOM 1612 C2' U B 102 -4.446 -3.985 14.346 1.00 0.00 C ATOM 1613 O2' U B 102 -3.075 -4.259 14.124 1.00 0.00 O ATOM 1614 C1' U B 102 -4.765 -2.499 14.400 1.00 0.00 C ATOM 1615 N1 U B 102 -4.238 -1.871 15.628 1.00 0.00 N ATOM 1616 C2 U B 102 -4.941 -1.958 16.830 1.00 0.00 C ATOM 1617 O2 U B 102 -5.991 -2.579 16.952 1.00 0.00 O ATOM 1618 N3 U B 102 -4.381 -1.293 17.911 1.00 0.00 N ATOM 1619 C4 U B 102 -3.191 -0.585 17.902 1.00 0.00 C ATOM 1620 O4 U B 102 -2.785 -0.021 18.916 1.00 0.00 O ATOM 1621 C5 U B 102 -2.512 -0.584 16.627 1.00 0.00 C ATOM 1622 C6 U B 102 -3.047 -1.218 15.556 1.00 0.00 C ATOM 0 H5' U B 102 -7.827 -5.198 13.405 1.00 0.00 H new ATOM 0 H5'' U B 102 -7.468 -4.551 14.993 1.00 0.00 H new ATOM 0 H4' U B 102 -6.864 -3.040 12.425 1.00 0.00 H new ATOM 0 H3' U B 102 -5.573 -5.442 13.129 1.00 0.00 H new ATOM 0 H2' U B 102 -4.630 -4.529 15.273 1.00 0.00 H new ATOM 0 HO2' U B 102 -2.880 -4.197 13.166 1.00 0.00 H new ATOM 0 HO5' U B 102 -9.627 -4.051 14.309 1.00 0.00 H new ATOM 0 H1' U B 102 -4.284 -1.929 13.605 1.00 0.00 H new ATOM 0 H3 U B 102 -4.892 -1.329 18.793 1.00 0.00 H new ATOM 0 H5 U B 102 -1.567 -0.072 16.526 1.00 0.00 H new ATOM 0 H6 U B 102 -2.512 -1.205 14.618 1.00 0.00 H new ATOM 1634 P C B 103 -5.205 -4.630 10.548 1.00 0.00 P ATOM 1635 OP1 C B 103 -5.660 -6.023 10.761 1.00 0.00 O ATOM 1636 OP2 C B 103 -4.162 -4.361 9.531 1.00 0.00 O ATOM 1637 O5' C B 103 -6.491 -3.731 10.190 1.00 0.00 O ATOM 1638 C5' C B 103 -6.354 -2.365 9.856 1.00 0.00 C ATOM 1639 C4' C B 103 -7.693 -1.749 9.431 1.00 0.00 C ATOM 1640 O4' C B 103 -7.991 -2.092 8.087 1.00 0.00 O ATOM 1641 C3' C B 103 -8.861 -2.234 10.286 1.00 0.00 C ATOM 1642 O3' C B 103 -9.854 -1.229 10.376 1.00 0.00 O ATOM 1643 C2' C B 103 -9.373 -3.422 9.484 1.00 0.00 C ATOM 1644 O2' C B 103 -10.747 -3.638 9.711 1.00 0.00 O ATOM 1645 C1' C B 103 -9.079 -3.001 8.048 1.00 0.00 C ATOM 1646 N1 C B 103 -8.713 -4.136 7.168 1.00 0.00 N ATOM 1647 C2 C B 103 -9.198 -4.136 5.869 1.00 0.00 C ATOM 1648 O2 C B 103 -9.971 -3.257 5.486 1.00 0.00 O ATOM 1649 N3 C B 103 -8.805 -5.126 5.023 1.00 0.00 N ATOM 1650 C4 C B 103 -7.992 -6.094 5.443 1.00 0.00 C ATOM 1651 N4 C B 103 -7.619 -7.036 4.581 1.00 0.00 N ATOM 1652 C5 C B 103 -7.522 -6.142 6.789 1.00 0.00 C ATOM 1653 C6 C B 103 -7.906 -5.146 7.612 1.00 0.00 C ATOM 0 H5' C B 103 -5.631 -2.259 9.047 1.00 0.00 H new ATOM 0 H5'' C B 103 -5.957 -1.819 10.712 1.00 0.00 H new ATOM 0 H4' C B 103 -7.578 -0.672 9.554 1.00 0.00 H new ATOM 0 H3' C B 103 -8.588 -2.482 11.312 1.00 0.00 H new ATOM 0 H2' C B 103 -8.905 -4.370 9.750 1.00 0.00 H new ATOM 0 HO2' C B 103 -11.024 -4.470 9.273 1.00 0.00 H new ATOM 0 H1' C B 103 -9.985 -2.559 7.634 1.00 0.00 H new ATOM 0 H41 C B 103 -6.997 -7.786 4.883 1.00 0.00 H new ATOM 0 H42 C B 103 -7.955 -7.008 3.618 1.00 0.00 H new ATOM 0 H5 C B 103 -6.885 -6.943 7.134 1.00 0.00 H new ATOM 0 H6 C B 103 -7.571 -5.146 8.639 1.00 0.00 H new ATOM 1665 P C B 104 -9.650 0.050 11.333 1.00 0.00 P ATOM 1666 OP1 C B 104 -8.232 0.099 11.751 1.00 0.00 O ATOM 1667 OP2 C B 104 -10.710 0.023 12.366 1.00 0.00 O ATOM 1668 O5' C B 104 -9.920 1.310 10.368 1.00 0.00 O ATOM 1669 C5' C B 104 -9.895 2.611 10.918 1.00 0.00 C ATOM 1670 C4' C B 104 -10.090 3.705 9.864 1.00 0.00 C ATOM 1671 O4' C B 104 -9.261 3.481 8.738 1.00 0.00 O ATOM 1672 C3' C B 104 -11.509 3.883 9.341 1.00 0.00 C ATOM 1673 O3' C B 104 -12.355 4.596 10.229 1.00 0.00 O ATOM 1674 C2' C B 104 -11.228 4.638 8.055 1.00 0.00 C ATOM 1675 O2' C B 104 -11.038 6.017 8.301 1.00 0.00 O ATOM 1676 C1' C B 104 -9.910 4.022 7.599 1.00 0.00 C ATOM 1677 N1 C B 104 -10.228 2.962 6.619 1.00 0.00 N ATOM 1678 C2 C B 104 -9.949 3.186 5.276 1.00 0.00 C ATOM 1679 O2 C B 104 -9.337 4.194 4.918 1.00 0.00 O ATOM 1680 N3 C B 104 -10.367 2.270 4.363 1.00 0.00 N ATOM 1681 C4 C B 104 -10.960 1.142 4.755 1.00 0.00 C ATOM 1682 N4 C B 104 -11.346 0.273 3.822 1.00 0.00 N ATOM 1683 C5 C B 104 -11.178 0.845 6.136 1.00 0.00 C ATOM 1684 C6 C B 104 -10.806 1.793 7.024 1.00 0.00 C ATOM 0 H5' C B 104 -8.943 2.768 11.426 1.00 0.00 H new ATOM 0 H5'' C B 104 -10.677 2.697 11.673 1.00 0.00 H new ATOM 0 H4' C B 104 -9.827 4.613 10.406 1.00 0.00 H new ATOM 0 H3' C B 104 -12.059 2.951 9.212 1.00 0.00 H new ATOM 0 H2' C B 104 -12.041 4.564 7.333 1.00 0.00 H new ATOM 0 HO2' C B 104 -11.151 6.517 7.466 1.00 0.00 H new ATOM 0 H1' C B 104 -9.252 4.757 7.134 1.00 0.00 H new ATOM 0 H41 C B 104 -11.802 -0.598 4.094 1.00 0.00 H new ATOM 0 H42 C B 104 -11.185 0.479 2.836 1.00 0.00 H new ATOM 0 H5 C B 104 -11.617 -0.089 6.453 1.00 0.00 H new ATOM 0 H6 C B 104 -10.969 1.622 8.078 1.00 0.00 H new ATOM 1696 P A B 105 -13.875 4.957 9.820 1.00 0.00 P ATOM 1697 OP1 A B 105 -14.757 4.578 10.947 1.00 0.00 O ATOM 1698 OP2 A B 105 -14.136 4.399 8.475 1.00 0.00 O ATOM 1699 O5' A B 105 -13.900 6.564 9.666 1.00 0.00 O ATOM 1700 C5' A B 105 -14.766 7.363 10.456 1.00 0.00 C ATOM 1701 C4' A B 105 -14.139 7.762 11.794 1.00 0.00 C ATOM 1702 O4' A B 105 -13.826 6.630 12.596 1.00 0.00 O ATOM 1703 C3' A B 105 -12.849 8.563 11.584 1.00 0.00 C ATOM 1704 O3' A B 105 -12.818 9.682 12.452 1.00 0.00 O ATOM 1705 C2' A B 105 -11.801 7.557 12.019 1.00 0.00 C ATOM 1706 O2' A B 105 -10.603 8.179 12.434 1.00 0.00 O ATOM 1707 C1' A B 105 -12.556 6.868 13.148 1.00 0.00 C ATOM 1708 N9 A B 105 -11.865 5.667 13.653 1.00 0.00 N ATOM 1709 C8 A B 105 -11.001 4.869 12.976 1.00 0.00 C ATOM 1710 N7 A B 105 -10.488 3.897 13.678 1.00 0.00 N ATOM 1711 C5 A B 105 -11.067 4.065 14.933 1.00 0.00 C ATOM 1712 C6 A B 105 -10.947 3.370 16.154 1.00 0.00 C ATOM 1713 N6 A B 105 -10.170 2.297 16.327 1.00 0.00 N ATOM 1714 N1 A B 105 -11.642 3.813 17.205 1.00 0.00 N ATOM 1715 C2 A B 105 -12.411 4.882 17.053 1.00 0.00 C ATOM 1716 N3 A B 105 -12.622 5.618 15.972 1.00 0.00 N ATOM 1717 C4 A B 105 -11.914 5.140 14.922 1.00 0.00 C ATOM 0 H5' A B 105 -15.691 6.817 10.641 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.032 8.262 9.901 1.00 0.00 H new ATOM 0 H4' A B 105 -14.884 8.372 12.305 1.00 0.00 H new ATOM 0 H3' A B 105 -12.724 8.949 10.573 1.00 0.00 H new ATOM 0 H2' A B 105 -11.449 6.880 11.241 1.00 0.00 H new ATOM 0 HO2' A B 105 -10.193 8.640 11.673 1.00 0.00 H new ATOM 0 H1' A B 105 -12.625 7.474 14.051 1.00 0.00 H new ATOM 0 H8 A B 105 -10.757 5.027 11.936 1.00 0.00 H new ATOM 0 H61 A B 105 -10.128 1.839 17.238 1.00 0.00 H new ATOM 0 H62 A B 105 -9.619 1.936 15.548 1.00 0.00 H new ATOM 0 H2 A B 105 -12.942 5.199 17.938 1.00 0.00 H new ATOM 1729 P G B 106 -13.643 11.026 12.122 1.00 0.00 P ATOM 1730 OP1 G B 106 -13.848 11.752 13.398 1.00 0.00 O ATOM 1731 OP2 G B 106 -14.816 10.675 11.290 1.00 0.00 O ATOM 1732 O5' G B 106 -12.628 11.889 11.218 1.00 0.00 O ATOM 1733 C5' G B 106 -12.398 11.545 9.864 1.00 0.00 C ATOM 1734 C4' G B 106 -11.489 12.577 9.187 1.00 0.00 C ATOM 1735 O4' G B 106 -10.463 11.942 8.443 1.00 0.00 O ATOM 1736 C3' G B 106 -12.275 13.409 8.180 1.00 0.00 C ATOM 1737 O3' G B 106 -11.678 14.681 8.039 1.00 0.00 O ATOM 1738 C2' G B 106 -12.142 12.604 6.891 1.00 0.00 C ATOM 1739 O2' G B 106 -11.931 13.445 5.773 1.00 0.00 O ATOM 1740 C1' G B 106 -10.936 11.701 7.127 1.00 0.00 C ATOM 1741 N9 G B 106 -11.302 10.282 6.916 1.00 0.00 N ATOM 1742 C8 G B 106 -12.351 9.557 7.427 1.00 0.00 C ATOM 1743 N7 G B 106 -12.425 8.338 6.984 1.00 0.00 N ATOM 1744 C5 G B 106 -11.336 8.232 6.120 1.00 0.00 C ATOM 1745 C6 G B 106 -10.914 7.143 5.301 1.00 0.00 C ATOM 1746 O6 G B 106 -11.426 6.032 5.187 1.00 0.00 O ATOM 1747 N1 G B 106 -9.778 7.454 4.574 1.00 0.00 N ATOM 1748 C2 G B 106 -9.139 8.669 4.599 1.00 0.00 C ATOM 1749 N2 G B 106 -8.078 8.796 3.808 1.00 0.00 N ATOM 1750 N3 G B 106 -9.527 9.703 5.355 1.00 0.00 N ATOM 1751 C4 G B 106 -10.632 9.414 6.090 1.00 0.00 C ATOM 0 H5' G B 106 -13.348 11.486 9.333 1.00 0.00 H new ATOM 0 H5'' G B 106 -11.940 10.558 9.808 1.00 0.00 H new ATOM 0 H4' G B 106 -11.076 13.194 9.985 1.00 0.00 H new ATOM 0 H3' G B 106 -13.312 13.584 8.467 1.00 0.00 H new ATOM 0 H2' G B 106 -13.048 12.041 6.668 1.00 0.00 H new ATOM 0 HO2' G B 106 -11.401 14.223 6.045 1.00 0.00 H new ATOM 0 H1' G B 106 -10.140 11.923 6.416 1.00 0.00 H new ATOM 0 H8 G B 106 -13.055 9.966 8.137 1.00 0.00 H new ATOM 0 H1 G B 106 -9.387 6.727 3.975 1.00 0.00 H new ATOM 0 H21 G B 106 -7.562 9.676 3.784 1.00 0.00 H new ATOM 0 H22 G B 106 -7.780 8.014 3.225 1.00 0.00 H new ATOM 1763 P U B 107 -12.438 16.000 8.557 1.00 0.00 P ATOM 1764 OP1 U B 107 -11.507 17.147 8.445 1.00 0.00 O ATOM 1765 OP2 U B 107 -13.076 15.694 9.856 1.00 0.00 O ATOM 1766 O5' U B 107 -13.596 16.172 7.454 1.00 0.00 O ATOM 1767 C5' U B 107 -13.280 16.640 6.160 1.00 0.00 C ATOM 1768 C4' U B 107 -14.506 16.529 5.250 1.00 0.00 C ATOM 1769 O4' U B 107 -14.541 17.627 4.355 1.00 0.00 O ATOM 1770 C3' U B 107 -14.432 15.309 4.345 1.00 0.00 C ATOM 1771 O3' U B 107 -15.710 15.070 3.783 1.00 0.00 O ATOM 1772 C2' U B 107 -13.439 15.817 3.312 1.00 0.00 C ATOM 1773 O2' U B 107 -13.573 15.144 2.074 1.00 0.00 O ATOM 1774 C1' U B 107 -13.771 17.305 3.203 1.00 0.00 C ATOM 1775 N1 U B 107 -12.533 18.111 3.044 1.00 0.00 N ATOM 1776 C2 U B 107 -12.432 19.362 3.650 1.00 0.00 C ATOM 1777 O2 U B 107 -13.335 19.875 4.308 1.00 0.00 O ATOM 1778 N3 U B 107 -11.232 20.036 3.481 1.00 0.00 N ATOM 1779 C4 U B 107 -10.150 19.599 2.739 1.00 0.00 C ATOM 1780 O4 U B 107 -9.135 20.286 2.655 1.00 0.00 O ATOM 1781 C5 U B 107 -10.347 18.310 2.116 1.00 0.00 C ATOM 1782 C6 U B 107 -11.502 17.622 2.277 1.00 0.00 C ATOM 0 H5' U B 107 -12.455 16.060 5.746 1.00 0.00 H new ATOM 0 H5'' U B 107 -12.947 17.677 6.210 1.00 0.00 H new ATOM 0 H4' U B 107 -15.370 16.482 5.912 1.00 0.00 H new ATOM 0 H3' U B 107 -14.142 14.368 4.813 1.00 0.00 H new ATOM 0 H2' U B 107 -12.402 15.641 3.598 1.00 0.00 H new ATOM 0 HO2' U B 107 -13.474 15.786 1.340 1.00 0.00 H new ATOM 0 HO3' U B 107 -16.157 15.925 3.612 1.00 0.00 H new ATOM 0 H1' U B 107 -14.356 17.540 2.314 1.00 0.00 H new ATOM 0 H3 U B 107 -11.139 20.938 3.947 1.00 0.00 H new ATOM 0 H5 U B 107 -9.558 17.888 1.511 1.00 0.00 H new ATOM 0 H6 U B 107 -11.616 16.665 1.790 1.00 0.00 H new TER 1794 U B 107