USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 743 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 51 HIS : no HE2:sc= -0.27 K(o=0.55,f=-6.9!) USER MOD Set 1.2: A 96 ASN : amide:sc= 0.819 K(o=0.55,f=-2.5) USER MOD Single : A 1 MET CE :methyl 152:sc= 0 (180deg=-0.0119) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0319 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.7!) USER MOD Single : A 4 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.013) USER MOD Single : A 5 HIS : no HE2:sc= 0.295 K(o=0.29,f=-2.2!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.472 K(o=0.47,f=-2.1!) USER MOD Single : A 8 HIS : no HE2:sc= -0.489 K(o=-0.49,f=-3.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00829 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 2.53 (180deg=1.96) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.15) USER MOD Single : A 57 ASN : amide:sc= -0.478 K(o=-0.48,f=-2.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0561 K(o=-0.056,f=-0.85) USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.561 USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.21) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.0586 K(o=0.059,f=-7!) USER MOD Single : A 81 ASN : amide:sc= 0.923 K(o=0.92,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.819 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0668 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.179 -11.419 19.061 1.00 0.00 N ATOM 2 CA MET A 1 -0.345 -11.688 17.700 1.00 0.00 C ATOM 3 C MET A 1 -1.083 -10.451 17.169 1.00 0.00 C ATOM 4 O MET A 1 -1.725 -9.727 17.935 1.00 0.00 O ATOM 5 CB MET A 1 -1.248 -12.943 17.685 1.00 0.00 C ATOM 6 CG MET A 1 -1.570 -13.440 16.267 1.00 0.00 C ATOM 7 SD MET A 1 -2.562 -14.961 16.219 1.00 0.00 S ATOM 8 CE MET A 1 -2.529 -15.286 14.436 1.00 0.00 C ATOM 0 H1 MET A 1 -0.054 -12.216 19.687 1.00 0.00 H new ATOM 0 H2 MET A 1 1.212 -11.302 19.019 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.253 -10.549 19.434 1.00 0.00 H new ATOM 0 HA MET A 1 0.495 -11.895 17.037 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.757 -13.742 18.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.179 -12.719 18.205 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.103 -12.655 15.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.635 -13.612 15.733 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.627 -16.357 14.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.355 -14.762 13.955 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.585 -14.935 14.020 1.00 0.00 H new ATOM 20 N GLY A 2 -1.018 -10.209 15.855 1.00 0.00 N ATOM 21 CA GLY A 2 -1.740 -9.123 15.196 1.00 0.00 C ATOM 22 C GLY A 2 -1.798 -9.381 13.697 1.00 0.00 C ATOM 23 O GLY A 2 -2.886 -9.409 13.121 1.00 0.00 O ATOM 0 H GLY A 2 -0.455 -10.770 15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.749 -9.046 15.601 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.244 -8.172 15.392 1.00 0.00 H new ATOM 27 N HIS A 3 -0.652 -9.669 13.075 1.00 0.00 N ATOM 28 CA HIS A 3 -0.616 -10.147 11.695 1.00 0.00 C ATOM 29 C HIS A 3 -1.366 -11.485 11.620 1.00 0.00 C ATOM 30 O HIS A 3 -1.446 -12.206 12.619 1.00 0.00 O ATOM 31 CB HIS A 3 0.834 -10.244 11.203 1.00 0.00 C ATOM 32 CG HIS A 3 1.630 -8.983 11.452 1.00 0.00 C ATOM 33 ND1 HIS A 3 1.259 -7.698 11.117 1.00 0.00 N ATOM 34 CD2 HIS A 3 2.800 -8.890 12.158 1.00 0.00 C ATOM 35 CE1 HIS A 3 2.172 -6.855 11.624 1.00 0.00 C ATOM 36 NE2 HIS A 3 3.141 -7.536 12.266 1.00 0.00 N ATOM 0 H HIS A 3 0.266 -9.578 13.510 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.116 -9.444 11.029 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.325 -11.081 11.700 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.835 -10.463 10.135 1.00 0.00 H new ATOM 0 HD1 HIS A 3 0.434 -7.434 10.578 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.363 -9.718 12.562 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.135 -5.780 11.530 1.00 0.00 H new ATOM 44 N HIS A 4 -1.925 -11.807 10.448 1.00 0.00 N ATOM 45 CA HIS A 4 -2.869 -12.904 10.177 1.00 0.00 C ATOM 46 C HIS A 4 -4.224 -12.680 10.871 1.00 0.00 C ATOM 47 O HIS A 4 -5.265 -12.858 10.238 1.00 0.00 O ATOM 48 CB HIS A 4 -2.329 -14.303 10.541 1.00 0.00 C ATOM 49 CG HIS A 4 -1.035 -14.723 9.889 1.00 0.00 C ATOM 50 ND1 HIS A 4 -0.875 -15.184 8.599 1.00 0.00 N ATOM 51 CD2 HIS A 4 0.172 -14.872 10.521 1.00 0.00 C ATOM 52 CE1 HIS A 4 0.397 -15.592 8.458 1.00 0.00 C ATOM 53 NE2 HIS A 4 1.082 -15.420 9.605 1.00 0.00 N ATOM 0 H HIS A 4 -1.717 -11.273 9.604 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.006 -12.884 9.096 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.194 -14.344 11.622 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.092 -15.039 10.287 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.386 -14.612 11.547 1.00 0.00 H new ATOM 0 HE1 HIS A 4 0.813 -16.002 7.550 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.063 -15.643 9.773 1.00 0.00 H new ATOM 61 N HIS A 5 -4.230 -12.295 12.153 1.00 0.00 N ATOM 62 CA HIS A 5 -5.443 -12.111 12.943 1.00 0.00 C ATOM 63 C HIS A 5 -6.225 -10.884 12.463 1.00 0.00 C ATOM 64 O HIS A 5 -7.455 -10.942 12.377 1.00 0.00 O ATOM 65 CB HIS A 5 -5.070 -11.987 14.432 1.00 0.00 C ATOM 66 CG HIS A 5 -6.232 -12.074 15.397 1.00 0.00 C ATOM 67 ND1 HIS A 5 -7.558 -11.783 15.144 1.00 0.00 N ATOM 68 CD2 HIS A 5 -6.154 -12.462 16.709 1.00 0.00 C ATOM 69 CE1 HIS A 5 -8.256 -11.989 16.273 1.00 0.00 C ATOM 70 NE2 HIS A 5 -7.442 -12.406 17.263 1.00 0.00 N ATOM 0 H HIS A 5 -3.375 -12.101 12.675 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.090 -12.979 12.814 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.355 -12.772 14.678 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.562 -11.035 14.585 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -7.941 -11.466 14.253 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.255 -12.760 17.228 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.321 -11.841 16.373 1.00 0.00 H new ATOM 78 N HIS A 6 -5.539 -9.775 12.168 1.00 0.00 N ATOM 79 CA HIS A 6 -6.171 -8.565 11.668 1.00 0.00 C ATOM 80 C HIS A 6 -6.734 -8.843 10.273 1.00 0.00 C ATOM 81 O HIS A 6 -6.011 -9.303 9.385 1.00 0.00 O ATOM 82 CB HIS A 6 -5.174 -7.399 11.647 1.00 0.00 C ATOM 83 CG HIS A 6 -5.822 -6.101 11.226 1.00 0.00 C ATOM 84 ND1 HIS A 6 -6.573 -5.269 12.027 1.00 0.00 N ATOM 85 CD2 HIS A 6 -5.834 -5.561 9.965 1.00 0.00 C ATOM 86 CE1 HIS A 6 -7.023 -4.254 11.270 1.00 0.00 C ATOM 87 NE2 HIS A 6 -6.599 -4.388 9.998 1.00 0.00 N ATOM 0 H HIS A 6 -4.527 -9.698 12.272 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.987 -8.276 12.330 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.736 -7.280 12.638 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.358 -7.634 10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.339 -5.970 9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.639 -3.444 11.631 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.795 -3.762 9.217 1.00 0.00 H new ATOM 95 N HIS A 7 -8.019 -8.550 10.090 1.00 0.00 N ATOM 96 CA HIS A 7 -8.751 -8.669 8.838 1.00 0.00 C ATOM 97 C HIS A 7 -9.962 -7.729 8.936 1.00 0.00 C ATOM 98 O HIS A 7 -10.293 -7.252 10.027 1.00 0.00 O ATOM 99 CB HIS A 7 -9.177 -10.135 8.633 1.00 0.00 C ATOM 100 CG HIS A 7 -9.537 -10.477 7.209 1.00 0.00 C ATOM 101 ND1 HIS A 7 -8.651 -10.752 6.188 1.00 0.00 N ATOM 102 CD2 HIS A 7 -10.800 -10.634 6.700 1.00 0.00 C ATOM 103 CE1 HIS A 7 -9.367 -11.074 5.099 1.00 0.00 C ATOM 104 NE2 HIS A 7 -10.687 -11.002 5.354 1.00 0.00 N ATOM 0 H HIS A 7 -8.605 -8.206 10.851 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.141 -8.389 7.979 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.366 -10.787 8.958 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.033 -10.347 9.274 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -7.633 -10.717 6.250 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.723 -10.497 7.244 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.941 -11.353 4.146 1.00 0.00 H new ATOM 112 N HIS A 8 -10.627 -7.468 7.812 1.00 0.00 N ATOM 113 CA HIS A 8 -11.811 -6.613 7.731 1.00 0.00 C ATOM 114 C HIS A 8 -12.698 -7.076 6.569 1.00 0.00 C ATOM 115 O HIS A 8 -12.300 -7.959 5.805 1.00 0.00 O ATOM 116 CB HIS A 8 -11.383 -5.140 7.577 1.00 0.00 C ATOM 117 CG HIS A 8 -10.583 -4.834 6.332 1.00 0.00 C ATOM 118 ND1 HIS A 8 -11.086 -4.424 5.116 1.00 0.00 N ATOM 119 CD2 HIS A 8 -9.221 -4.894 6.200 1.00 0.00 C ATOM 120 CE1 HIS A 8 -10.059 -4.226 4.280 1.00 0.00 C ATOM 121 NE2 HIS A 8 -8.897 -4.541 4.882 1.00 0.00 N ATOM 0 H HIS A 8 -10.351 -7.855 6.909 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.393 -6.692 8.649 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.276 -4.516 7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.793 -4.856 8.449 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -12.072 -4.294 4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.520 -5.166 6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.150 -3.865 3.266 1.00 0.00 H new ATOM 129 N LEU A 9 -13.882 -6.475 6.421 1.00 0.00 N ATOM 130 CA LEU A 9 -14.799 -6.741 5.312 1.00 0.00 C ATOM 131 C LEU A 9 -14.092 -6.499 3.972 1.00 0.00 C ATOM 132 O LEU A 9 -13.274 -5.589 3.866 1.00 0.00 O ATOM 133 CB LEU A 9 -16.039 -5.837 5.467 1.00 0.00 C ATOM 134 CG LEU A 9 -17.139 -6.039 4.406 1.00 0.00 C ATOM 135 CD1 LEU A 9 -17.739 -7.452 4.441 1.00 0.00 C ATOM 136 CD2 LEU A 9 -18.258 -5.017 4.629 1.00 0.00 C ATOM 0 H LEU A 9 -14.235 -5.780 7.079 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.118 -7.783 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.472 -6.008 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.716 -4.797 5.437 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.674 -5.900 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.508 -7.540 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.954 -8.185 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.181 -7.636 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -19.036 -5.160 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.683 -5.154 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.852 -4.009 4.544 1.00 0.00 H new ATOM 148 N ASP A 10 -14.428 -7.291 2.951 1.00 0.00 N ATOM 149 CA ASP A 10 -13.852 -7.236 1.599 1.00 0.00 C ATOM 150 C ASP A 10 -13.912 -5.839 0.960 1.00 0.00 C ATOM 151 O ASP A 10 -13.007 -5.446 0.217 1.00 0.00 O ATOM 152 CB ASP A 10 -14.622 -8.239 0.728 1.00 0.00 C ATOM 153 CG ASP A 10 -14.189 -8.203 -0.747 1.00 0.00 C ATOM 154 OD1 ASP A 10 -13.237 -8.928 -1.106 1.00 0.00 O ATOM 155 OD2 ASP A 10 -14.849 -7.518 -1.560 1.00 0.00 O ATOM 0 H ASP A 10 -15.137 -8.018 3.044 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.793 -7.484 1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.472 -9.245 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.689 -8.026 0.794 1.00 0.00 H new ATOM 160 N SER A 11 -14.984 -5.107 1.266 1.00 0.00 N ATOM 161 CA SER A 11 -15.290 -3.765 0.793 1.00 0.00 C ATOM 162 C SER A 11 -14.272 -2.712 1.268 1.00 0.00 C ATOM 163 O SER A 11 -13.379 -2.983 2.078 1.00 0.00 O ATOM 164 CB SER A 11 -16.703 -3.403 1.284 1.00 0.00 C ATOM 165 OG SER A 11 -17.609 -4.478 1.069 1.00 0.00 O ATOM 0 H SER A 11 -15.706 -5.463 1.892 1.00 0.00 H new ATOM 0 HA SER A 11 -15.237 -3.762 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.671 -3.157 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.057 -2.514 0.761 1.00 0.00 H new ATOM 0 HG SER A 11 -18.499 -4.225 1.391 1.00 0.00 H new ATOM 171 N TYR A 12 -14.427 -1.480 0.773 1.00 0.00 N ATOM 172 CA TYR A 12 -13.691 -0.325 1.277 1.00 0.00 C ATOM 173 C TYR A 12 -14.059 -0.061 2.744 1.00 0.00 C ATOM 174 O TYR A 12 -15.079 -0.545 3.249 1.00 0.00 O ATOM 175 CB TYR A 12 -13.955 0.904 0.388 1.00 0.00 C ATOM 176 CG TYR A 12 -15.407 1.349 0.314 1.00 0.00 C ATOM 177 CD1 TYR A 12 -15.927 2.222 1.290 1.00 0.00 C ATOM 178 CD2 TYR A 12 -16.236 0.893 -0.729 1.00 0.00 C ATOM 179 CE1 TYR A 12 -17.274 2.625 1.238 1.00 0.00 C ATOM 180 CE2 TYR A 12 -17.584 1.291 -0.788 1.00 0.00 C ATOM 181 CZ TYR A 12 -18.111 2.158 0.198 1.00 0.00 C ATOM 182 OH TYR A 12 -19.419 2.537 0.130 1.00 0.00 O ATOM 0 H TYR A 12 -15.068 -1.259 0.011 1.00 0.00 H new ATOM 0 HA TYR A 12 -12.622 -0.534 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -13.355 1.736 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.607 0.684 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -15.288 2.584 2.082 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.835 0.235 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -17.669 3.290 1.992 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -18.217 0.934 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 12 -19.840 2.120 -0.651 1.00 0.00 H new ATOM 192 N ALA A 13 -13.238 0.742 3.418 1.00 0.00 N ATOM 193 CA ALA A 13 -13.405 1.168 4.804 1.00 0.00 C ATOM 194 C ALA A 13 -12.862 2.604 4.924 1.00 0.00 C ATOM 195 O ALA A 13 -12.194 3.058 3.992 1.00 0.00 O ATOM 196 CB ALA A 13 -12.651 0.184 5.715 1.00 0.00 C ATOM 0 H ALA A 13 -12.398 1.132 2.991 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.451 1.167 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.767 0.489 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.058 -0.818 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.593 0.183 5.453 1.00 0.00 H new ATOM 202 N PRO A 14 -13.084 3.327 6.041 1.00 0.00 N ATOM 203 CA PRO A 14 -12.663 4.720 6.207 1.00 0.00 C ATOM 204 C PRO A 14 -11.190 5.036 5.887 1.00 0.00 C ATOM 205 O PRO A 14 -10.874 6.199 5.625 1.00 0.00 O ATOM 206 CB PRO A 14 -12.999 5.079 7.657 1.00 0.00 C ATOM 207 CG PRO A 14 -14.212 4.202 7.952 1.00 0.00 C ATOM 208 CD PRO A 14 -13.893 2.920 7.186 1.00 0.00 C ATOM 0 HA PRO A 14 -13.193 5.323 5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.170 4.861 8.330 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.230 6.139 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.328 4.017 9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.138 4.661 7.605 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.351 2.214 7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.806 2.422 6.861 1.00 0.00 H new ATOM 216 N ARG A 15 -10.294 4.038 5.888 1.00 0.00 N ATOM 217 CA ARG A 15 -8.883 4.213 5.528 1.00 0.00 C ATOM 218 C ARG A 15 -8.367 3.124 4.578 1.00 0.00 C ATOM 219 O ARG A 15 -7.150 2.984 4.455 1.00 0.00 O ATOM 220 CB ARG A 15 -8.040 4.358 6.814 1.00 0.00 C ATOM 221 CG ARG A 15 -7.837 3.048 7.599 1.00 0.00 C ATOM 222 CD ARG A 15 -7.157 3.243 8.966 1.00 0.00 C ATOM 223 NE ARG A 15 -5.985 4.144 8.959 1.00 0.00 N ATOM 224 CZ ARG A 15 -4.811 3.976 8.338 1.00 0.00 C ATOM 225 NH1 ARG A 15 -4.579 2.954 7.519 1.00 0.00 N ATOM 226 NH2 ARG A 15 -3.862 4.878 8.537 1.00 0.00 N ATOM 0 H ARG A 15 -10.533 3.079 6.141 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.783 5.134 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.063 4.762 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.520 5.087 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.806 2.572 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.236 2.365 6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.893 3.635 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.845 2.269 9.342 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.084 5.005 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.309 2.264 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.671 2.861 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.036 5.674 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.957 4.776 8.077 1.00 0.00 H new ATOM 240 N ALA A 16 -9.238 2.345 3.923 1.00 0.00 N ATOM 241 CA ALA A 16 -8.829 1.231 3.068 1.00 0.00 C ATOM 242 C ALA A 16 -9.652 1.226 1.783 1.00 0.00 C ATOM 243 O ALA A 16 -10.869 1.405 1.810 1.00 0.00 O ATOM 244 CB ALA A 16 -8.970 -0.104 3.808 1.00 0.00 C ATOM 0 H ALA A 16 -10.249 2.473 3.974 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.778 1.361 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.660 -0.918 3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.340 -0.095 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.010 -0.250 4.101 1.00 0.00 H new ATOM 250 N GLU A 17 -8.986 0.943 0.667 1.00 0.00 N ATOM 251 CA GLU A 17 -9.506 1.087 -0.692 1.00 0.00 C ATOM 252 C GLU A 17 -9.991 -0.256 -1.276 1.00 0.00 C ATOM 253 O GLU A 17 -9.963 -0.438 -2.497 1.00 0.00 O ATOM 254 CB GLU A 17 -8.427 1.742 -1.582 1.00 0.00 C ATOM 255 CG GLU A 17 -7.864 3.078 -1.073 1.00 0.00 C ATOM 256 CD GLU A 17 -8.923 4.189 -0.995 1.00 0.00 C ATOM 257 OE1 GLU A 17 -9.109 4.925 -1.988 1.00 0.00 O ATOM 258 OE2 GLU A 17 -9.516 4.383 0.090 1.00 0.00 O ATOM 0 H GLU A 17 -8.028 0.592 0.684 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.383 1.733 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.601 1.040 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.848 1.901 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.429 2.929 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.057 3.399 -1.731 1.00 0.00 H new ATOM 265 N ALA A 18 -10.405 -1.198 -0.416 1.00 0.00 N ATOM 266 CA ALA A 18 -10.981 -2.514 -0.731 1.00 0.00 C ATOM 267 C ALA A 18 -9.962 -3.528 -1.267 1.00 0.00 C ATOM 268 O ALA A 18 -8.843 -3.181 -1.662 1.00 0.00 O ATOM 269 CB ALA A 18 -12.179 -2.388 -1.689 1.00 0.00 C ATOM 0 H ALA A 18 -10.341 -1.049 0.591 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.330 -2.911 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.581 -3.379 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.952 -1.774 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.854 -1.922 -2.619 1.00 0.00 H new ATOM 275 N GLU A 19 -10.371 -4.798 -1.303 1.00 0.00 N ATOM 276 CA GLU A 19 -9.622 -5.884 -1.930 1.00 0.00 C ATOM 277 C GLU A 19 -9.922 -5.925 -3.430 1.00 0.00 C ATOM 278 O GLU A 19 -11.083 -5.810 -3.832 1.00 0.00 O ATOM 279 CB GLU A 19 -10.030 -7.216 -1.277 1.00 0.00 C ATOM 280 CG GLU A 19 -9.105 -8.374 -1.679 1.00 0.00 C ATOM 281 CD GLU A 19 -9.461 -9.680 -0.947 1.00 0.00 C ATOM 282 OE1 GLU A 19 -9.264 -9.741 0.289 1.00 0.00 O ATOM 283 OE2 GLU A 19 -9.896 -10.653 -1.602 1.00 0.00 O ATOM 0 H GLU A 19 -11.251 -5.104 -0.888 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.553 -5.720 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.018 -7.105 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.054 -7.458 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.170 -8.533 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.072 -8.105 -1.459 1.00 0.00 H new ATOM 290 N LYS A 20 -8.890 -6.118 -4.259 1.00 0.00 N ATOM 291 CA LYS A 20 -9.032 -6.395 -5.690 1.00 0.00 C ATOM 292 C LYS A 20 -8.020 -7.480 -6.066 1.00 0.00 C ATOM 293 O LYS A 20 -7.016 -7.657 -5.371 1.00 0.00 O ATOM 294 CB LYS A 20 -8.804 -5.143 -6.567 1.00 0.00 C ATOM 295 CG LYS A 20 -9.781 -3.959 -6.410 1.00 0.00 C ATOM 296 CD LYS A 20 -9.570 -3.015 -5.210 1.00 0.00 C ATOM 297 CE LYS A 20 -8.140 -2.464 -5.117 1.00 0.00 C ATOM 298 NZ LYS A 20 -7.927 -1.696 -3.868 1.00 0.00 N ATOM 0 H LYS A 20 -7.919 -6.085 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.055 -6.723 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.798 -4.774 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.826 -5.458 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.734 -3.361 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.791 -4.363 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.269 -2.182 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.807 -3.549 -4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.429 -3.289 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.941 -1.824 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.094 -1.083 -3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.765 -1.111 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.773 -2.354 -3.078 1.00 0.00 H new ATOM 312 N THR A 21 -8.274 -8.194 -7.158 1.00 0.00 N ATOM 313 CA THR A 21 -7.328 -9.114 -7.776 1.00 0.00 C ATOM 314 C THR A 21 -6.304 -8.320 -8.600 1.00 0.00 C ATOM 315 O THR A 21 -6.649 -7.300 -9.208 1.00 0.00 O ATOM 316 CB THR A 21 -8.105 -10.131 -8.634 1.00 0.00 C ATOM 317 OG1 THR A 21 -9.192 -9.527 -9.321 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.687 -11.240 -7.749 1.00 0.00 C ATOM 0 H THR A 21 -9.167 -8.147 -7.649 1.00 0.00 H new ATOM 0 HA THR A 21 -6.776 -9.668 -7.017 1.00 0.00 H new ATOM 0 HB THR A 21 -7.394 -10.533 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.658 -10.204 -9.855 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.233 -11.951 -8.369 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.878 -11.756 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.365 -10.802 -7.016 1.00 0.00 H new ATOM 326 N PHE A 22 -5.055 -8.790 -8.639 1.00 0.00 N ATOM 327 CA PHE A 22 -3.946 -8.186 -9.365 1.00 0.00 C ATOM 328 C PHE A 22 -3.078 -9.276 -9.996 1.00 0.00 C ATOM 329 O PHE A 22 -3.061 -10.421 -9.531 1.00 0.00 O ATOM 330 CB PHE A 22 -3.090 -7.335 -8.414 1.00 0.00 C ATOM 331 CG PHE A 22 -3.800 -6.110 -7.881 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.833 -4.927 -8.642 1.00 0.00 C ATOM 333 CD2 PHE A 22 -4.454 -6.160 -6.638 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.511 -3.797 -8.155 1.00 0.00 C ATOM 335 CE2 PHE A 22 -5.119 -5.027 -6.143 1.00 0.00 C ATOM 336 CZ PHE A 22 -5.145 -3.844 -6.901 1.00 0.00 C ATOM 0 H PHE A 22 -4.782 -9.638 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.351 -7.547 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.773 -7.954 -7.574 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.187 -7.021 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.337 -4.888 -9.601 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.445 -7.073 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.545 -2.892 -8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.610 -5.065 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.652 -2.970 -6.520 1.00 0.00 H new ATOM 346 N SER A 23 -2.335 -8.856 -11.021 1.00 0.00 N ATOM 347 CA SER A 23 -1.334 -9.593 -11.780 1.00 0.00 C ATOM 348 C SER A 23 -0.254 -8.580 -12.194 1.00 0.00 C ATOM 349 O SER A 23 -0.421 -7.377 -11.966 1.00 0.00 O ATOM 350 CB SER A 23 -1.971 -10.243 -13.018 1.00 0.00 C ATOM 351 OG SER A 23 -3.031 -11.120 -12.669 1.00 0.00 O ATOM 0 H SER A 23 -2.431 -7.902 -11.370 1.00 0.00 H new ATOM 0 HA SER A 23 -0.902 -10.395 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.347 -9.466 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.210 -10.795 -13.570 1.00 0.00 H new ATOM 0 HG SER A 23 -3.412 -11.513 -13.482 1.00 0.00 H new ATOM 357 N TYR A 24 0.831 -9.042 -12.823 1.00 0.00 N ATOM 358 CA TYR A 24 1.946 -8.206 -13.273 1.00 0.00 C ATOM 359 C TYR A 24 2.421 -8.699 -14.653 1.00 0.00 C ATOM 360 O TYR A 24 2.075 -9.825 -15.023 1.00 0.00 O ATOM 361 CB TYR A 24 3.082 -8.284 -12.241 1.00 0.00 C ATOM 362 CG TYR A 24 2.696 -7.805 -10.858 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.572 -6.427 -10.594 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.412 -8.743 -9.850 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.136 -5.992 -9.332 1.00 0.00 C ATOM 366 CE2 TYR A 24 1.957 -8.319 -8.591 1.00 0.00 C ATOM 367 CZ TYR A 24 1.805 -6.935 -8.333 1.00 0.00 C ATOM 368 OH TYR A 24 1.338 -6.492 -7.135 1.00 0.00 O ATOM 0 H TYR A 24 0.961 -10.031 -13.038 1.00 0.00 H new ATOM 0 HA TYR A 24 1.630 -7.167 -13.365 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.426 -9.316 -12.173 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.923 -7.690 -12.598 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.812 -5.706 -11.361 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.545 -9.797 -10.045 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.054 -4.935 -9.125 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.725 -9.044 -7.825 1.00 0.00 H new ATOM 0 HH TYR A 24 1.153 -7.258 -6.552 1.00 0.00 H new ATOM 378 N PRO A 25 3.226 -7.928 -15.420 1.00 0.00 N ATOM 379 CA PRO A 25 3.630 -6.534 -15.192 1.00 0.00 C ATOM 380 C PRO A 25 2.462 -5.556 -15.011 1.00 0.00 C ATOM 381 O PRO A 25 2.578 -4.618 -14.222 1.00 0.00 O ATOM 382 CB PRO A 25 4.464 -6.138 -16.417 1.00 0.00 C ATOM 383 CG PRO A 25 5.010 -7.468 -16.926 1.00 0.00 C ATOM 384 CD PRO A 25 3.865 -8.431 -16.628 1.00 0.00 C ATOM 0 HA PRO A 25 4.183 -6.474 -14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.856 -5.639 -17.172 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.267 -5.451 -16.150 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.242 -7.431 -17.990 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.926 -7.755 -16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.159 -8.467 -17.458 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.236 -9.445 -16.481 1.00 0.00 H new ATOM 392 N LEU A 26 1.328 -5.823 -15.676 1.00 0.00 N ATOM 393 CA LEU A 26 0.132 -4.978 -15.694 1.00 0.00 C ATOM 394 C LEU A 26 0.538 -3.507 -15.892 1.00 0.00 C ATOM 395 O LEU A 26 1.208 -3.216 -16.887 1.00 0.00 O ATOM 396 CB LEU A 26 -0.756 -5.320 -14.476 1.00 0.00 C ATOM 397 CG LEU A 26 -2.171 -4.700 -14.441 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.962 -4.934 -15.734 1.00 0.00 C ATOM 399 CD2 LEU A 26 -2.953 -5.292 -13.262 1.00 0.00 C ATOM 0 H LEU A 26 1.218 -6.668 -16.237 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.513 -5.179 -16.550 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.860 -6.404 -14.427 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.228 -5.009 -13.574 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.045 -3.623 -14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.947 -4.475 -15.646 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.427 -4.489 -16.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.075 -6.005 -15.903 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.952 -4.857 -13.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.031 -6.373 -13.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.433 -5.067 -12.331 1.00 0.00 H new ATOM 411 N ASP A 27 0.162 -2.585 -15.001 1.00 0.00 N ATOM 412 CA ASP A 27 0.460 -1.156 -15.135 1.00 0.00 C ATOM 413 C ASP A 27 0.509 -0.482 -13.756 1.00 0.00 C ATOM 414 O ASP A 27 -0.077 0.578 -13.533 1.00 0.00 O ATOM 415 CB ASP A 27 -0.551 -0.484 -16.082 1.00 0.00 C ATOM 416 CG ASP A 27 -0.127 0.949 -16.439 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.024 1.154 -16.889 1.00 0.00 O ATOM 418 OD2 ASP A 27 -0.976 1.863 -16.336 1.00 0.00 O ATOM 0 H ASP A 27 -0.364 -2.812 -14.157 1.00 0.00 H new ATOM 0 HA ASP A 27 1.447 -1.037 -15.581 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.644 -1.074 -16.994 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.534 -0.466 -15.612 1.00 0.00 H new ATOM 423 N LEU A 28 1.163 -1.144 -12.795 1.00 0.00 N ATOM 424 CA LEU A 28 1.368 -0.658 -11.430 1.00 0.00 C ATOM 425 C LEU A 28 2.731 -1.125 -10.914 1.00 0.00 C ATOM 426 O LEU A 28 3.315 -2.061 -11.468 1.00 0.00 O ATOM 427 CB LEU A 28 0.217 -1.086 -10.492 1.00 0.00 C ATOM 428 CG LEU A 28 0.226 -2.543 -9.980 1.00 0.00 C ATOM 429 CD1 LEU A 28 -0.888 -2.721 -8.943 1.00 0.00 C ATOM 430 CD2 LEU A 28 0.024 -3.572 -11.101 1.00 0.00 C ATOM 0 H LEU A 28 1.577 -2.063 -12.953 1.00 0.00 H new ATOM 0 HA LEU A 28 1.361 0.432 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.224 -0.424 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.725 -0.918 -11.015 1.00 0.00 H new ATOM 0 HG LEU A 28 1.208 -2.721 -9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.885 -3.748 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.721 -2.040 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.852 -2.502 -9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.040 -4.577 -10.679 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.936 -3.397 -11.587 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.825 -3.473 -11.834 1.00 0.00 H new ATOM 442 N LEU A 29 3.240 -0.477 -9.863 1.00 0.00 N ATOM 443 CA LEU A 29 4.569 -0.712 -9.299 1.00 0.00 C ATOM 444 C LEU A 29 4.553 -0.303 -7.823 1.00 0.00 C ATOM 445 O LEU A 29 3.807 0.605 -7.451 1.00 0.00 O ATOM 446 CB LEU A 29 5.591 0.129 -10.093 1.00 0.00 C ATOM 447 CG LEU A 29 7.067 -0.025 -9.669 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.578 -1.461 -9.847 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.937 0.925 -10.500 1.00 0.00 C ATOM 0 H LEU A 29 2.721 0.248 -9.367 1.00 0.00 H new ATOM 0 HA LEU A 29 4.847 -1.764 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.507 -0.134 -11.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.315 1.180 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 29 7.130 0.221 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.621 -1.517 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.980 -2.138 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.497 -1.749 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.980 0.818 -10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.835 0.681 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.616 1.953 -10.332 1.00 0.00 H new ATOM 461 N LEU A 30 5.406 -0.914 -6.995 1.00 0.00 N ATOM 462 CA LEU A 30 5.544 -0.616 -5.568 1.00 0.00 C ATOM 463 C LEU A 30 6.986 -0.200 -5.267 1.00 0.00 C ATOM 464 O LEU A 30 7.907 -0.611 -5.979 1.00 0.00 O ATOM 465 CB LEU A 30 5.197 -1.843 -4.702 1.00 0.00 C ATOM 466 CG LEU A 30 3.785 -2.436 -4.860 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.620 -3.597 -3.873 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.673 -1.413 -4.622 1.00 0.00 C ATOM 0 H LEU A 30 6.037 -1.651 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 30 4.853 0.192 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.920 -2.628 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.334 -1.568 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 30 3.691 -2.775 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.623 -4.024 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.366 -4.363 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.754 -3.231 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.703 -1.894 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.753 -1.018 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.770 -0.597 -5.338 1.00 0.00 H new ATOM 480 N LYS A 31 7.194 0.568 -4.193 1.00 0.00 N ATOM 481 CA LYS A 31 8.518 0.931 -3.674 1.00 0.00 C ATOM 482 C LYS A 31 8.468 0.989 -2.151 1.00 0.00 C ATOM 483 O LYS A 31 7.398 1.223 -1.594 1.00 0.00 O ATOM 484 CB LYS A 31 9.002 2.257 -4.303 1.00 0.00 C ATOM 485 CG LYS A 31 8.105 3.499 -4.103 1.00 0.00 C ATOM 486 CD LYS A 31 8.350 4.272 -2.797 1.00 0.00 C ATOM 487 CE LYS A 31 7.432 5.502 -2.694 1.00 0.00 C ATOM 488 NZ LYS A 31 7.825 6.606 -3.611 1.00 0.00 N ATOM 0 H LYS A 31 6.429 0.964 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 31 9.247 0.170 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.988 2.483 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.126 2.098 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.256 4.177 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.062 3.184 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.177 3.614 -1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.392 4.588 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.408 5.202 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.442 5.870 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.169 7.404 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.792 6.917 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.789 6.270 -4.594 1.00 0.00 H new ATOM 502 N LEU A 32 9.604 0.793 -1.480 1.00 0.00 N ATOM 503 CA LEU A 32 9.722 0.931 -0.026 1.00 0.00 C ATOM 504 C LEU A 32 9.945 2.409 0.290 1.00 0.00 C ATOM 505 O LEU A 32 10.865 3.018 -0.260 1.00 0.00 O ATOM 506 CB LEU A 32 10.888 0.044 0.465 1.00 0.00 C ATOM 507 CG LEU A 32 11.204 0.005 1.979 1.00 0.00 C ATOM 508 CD1 LEU A 32 12.052 1.178 2.480 1.00 0.00 C ATOM 509 CD2 LEU A 32 9.958 -0.122 2.861 1.00 0.00 C ATOM 0 H LEU A 32 10.478 0.531 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 32 8.819 0.602 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.685 -0.977 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.791 0.368 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 32 11.799 -0.903 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.225 1.070 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.008 1.185 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.527 2.114 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.255 -0.143 3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.301 0.730 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.430 -1.043 2.615 1.00 0.00 H new ATOM 521 N HIS A 33 9.127 2.985 1.174 1.00 0.00 N ATOM 522 CA HIS A 33 9.295 4.328 1.720 1.00 0.00 C ATOM 523 C HIS A 33 8.580 4.389 3.071 1.00 0.00 C ATOM 524 O HIS A 33 7.531 3.770 3.239 1.00 0.00 O ATOM 525 CB HIS A 33 8.709 5.367 0.755 1.00 0.00 C ATOM 526 CG HIS A 33 8.864 6.791 1.229 1.00 0.00 C ATOM 527 ND1 HIS A 33 10.010 7.553 1.165 1.00 0.00 N ATOM 528 CD2 HIS A 33 7.899 7.565 1.821 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.741 8.756 1.701 1.00 0.00 C ATOM 530 NE2 HIS A 33 8.461 8.813 2.118 1.00 0.00 N ATOM 0 H HIS A 33 8.302 2.510 1.540 1.00 0.00 H new ATOM 0 HA HIS A 33 10.354 4.551 1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.193 5.262 -0.216 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.650 5.156 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.882 7.264 2.023 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.452 9.565 1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 33 7.995 9.605 2.561 1.00 0.00 H new ATOM 538 N ASP A 34 9.130 5.139 4.031 1.00 0.00 N ATOM 539 CA ASP A 34 8.568 5.303 5.379 1.00 0.00 C ATOM 540 C ASP A 34 8.244 3.947 6.033 1.00 0.00 C ATOM 541 O ASP A 34 7.182 3.739 6.626 1.00 0.00 O ATOM 542 CB ASP A 34 7.390 6.290 5.348 1.00 0.00 C ATOM 543 CG ASP A 34 6.859 6.606 6.754 1.00 0.00 C ATOM 544 OD1 ASP A 34 7.661 6.681 7.714 1.00 0.00 O ATOM 545 OD2 ASP A 34 5.637 6.821 6.904 1.00 0.00 O ATOM 0 H ASP A 34 9.996 5.660 3.892 1.00 0.00 H new ATOM 0 HA ASP A 34 9.322 5.747 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.706 7.215 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.585 5.873 4.743 1.00 0.00 H new ATOM 550 N GLU A 35 9.185 3.008 5.868 1.00 0.00 N ATOM 551 CA GLU A 35 9.147 1.604 6.287 1.00 0.00 C ATOM 552 C GLU A 35 7.883 0.826 5.870 1.00 0.00 C ATOM 553 O GLU A 35 7.543 -0.183 6.493 1.00 0.00 O ATOM 554 CB GLU A 35 9.568 1.441 7.764 1.00 0.00 C ATOM 555 CG GLU A 35 8.597 2.006 8.812 1.00 0.00 C ATOM 556 CD GLU A 35 9.027 1.622 10.239 1.00 0.00 C ATOM 557 OE1 GLU A 35 9.875 2.324 10.837 1.00 0.00 O ATOM 558 OE2 GLU A 35 8.511 0.623 10.790 1.00 0.00 O ATOM 0 H GLU A 35 10.063 3.231 5.400 1.00 0.00 H new ATOM 0 HA GLU A 35 9.911 1.094 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.709 0.379 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.536 1.922 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.554 3.091 8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.592 1.630 8.619 1.00 0.00 H new ATOM 565 N ARG A 36 7.213 1.227 4.781 1.00 0.00 N ATOM 566 CA ARG A 36 6.133 0.454 4.169 1.00 0.00 C ATOM 567 C ARG A 36 6.296 0.403 2.657 1.00 0.00 C ATOM 568 O ARG A 36 6.996 1.231 2.078 1.00 0.00 O ATOM 569 CB ARG A 36 4.773 1.086 4.500 1.00 0.00 C ATOM 570 CG ARG A 36 4.443 1.099 5.999 1.00 0.00 C ATOM 571 CD ARG A 36 2.997 1.562 6.227 1.00 0.00 C ATOM 572 NE ARG A 36 2.151 0.554 6.901 1.00 0.00 N ATOM 573 CZ ARG A 36 1.462 -0.435 6.311 1.00 0.00 C ATOM 574 NH1 ARG A 36 1.672 -0.738 5.035 1.00 0.00 N ATOM 575 NH2 ARG A 36 0.573 -1.135 7.008 1.00 0.00 N ATOM 0 H ARG A 36 7.410 2.104 4.299 1.00 0.00 H new ATOM 0 HA ARG A 36 6.178 -0.558 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.758 2.110 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.991 0.541 3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.582 0.102 6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.131 1.763 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.006 2.474 6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.550 1.815 5.266 1.00 0.00 H new ATOM 0 HE ARG A 36 2.084 0.617 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.362 -0.217 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.143 -1.492 4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.414 -0.921 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.050 -1.886 6.558 1.00 0.00 H new ATOM 589 N VAL A 37 5.663 -0.570 2.004 1.00 0.00 N ATOM 590 CA VAL A 37 5.579 -0.543 0.549 1.00 0.00 C ATOM 591 C VAL A 37 4.445 0.422 0.205 1.00 0.00 C ATOM 592 O VAL A 37 3.351 0.322 0.772 1.00 0.00 O ATOM 593 CB VAL A 37 5.368 -1.939 -0.065 1.00 0.00 C ATOM 594 CG1 VAL A 37 6.687 -2.720 -0.094 1.00 0.00 C ATOM 595 CG2 VAL A 37 4.306 -2.778 0.655 1.00 0.00 C ATOM 0 H VAL A 37 5.211 -1.369 2.449 1.00 0.00 H new ATOM 0 HA VAL A 37 6.522 -0.206 0.119 1.00 0.00 H new ATOM 0 HB VAL A 37 5.005 -1.760 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.518 -3.704 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.418 -2.177 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.064 -2.835 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.214 -3.747 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.600 -2.923 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.347 -2.261 0.618 1.00 0.00 H new ATOM 605 N LEU A 38 4.701 1.342 -0.724 1.00 0.00 N ATOM 606 CA LEU A 38 3.725 2.287 -1.242 1.00 0.00 C ATOM 607 C LEU A 38 3.595 2.064 -2.741 1.00 0.00 C ATOM 608 O LEU A 38 4.543 1.613 -3.389 1.00 0.00 O ATOM 609 CB LEU A 38 4.140 3.749 -0.982 1.00 0.00 C ATOM 610 CG LEU A 38 4.361 4.160 0.485 1.00 0.00 C ATOM 611 CD1 LEU A 38 4.648 5.664 0.557 1.00 0.00 C ATOM 612 CD2 LEU A 38 3.171 3.849 1.394 1.00 0.00 C ATOM 0 H LEU A 38 5.623 1.450 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 38 2.777 2.119 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.061 3.943 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.374 4.399 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 38 5.206 3.572 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.804 5.955 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.543 5.892 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.801 6.216 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.398 4.166 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.290 4.383 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.975 2.777 1.383 1.00 0.00 H new ATOM 624 N VAL A 39 2.436 2.417 -3.290 1.00 0.00 N ATOM 625 CA VAL A 39 2.170 2.464 -4.720 1.00 0.00 C ATOM 626 C VAL A 39 3.117 3.501 -5.330 1.00 0.00 C ATOM 627 O VAL A 39 2.920 4.704 -5.143 1.00 0.00 O ATOM 628 CB VAL A 39 0.680 2.789 -4.961 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.345 2.860 -6.456 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.250 1.738 -4.334 1.00 0.00 C ATOM 0 H VAL A 39 1.629 2.688 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 39 2.354 1.503 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 39 0.518 3.759 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.713 3.091 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.945 3.639 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.565 1.901 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.288 2.008 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.041 0.761 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.081 1.699 -3.258 1.00 0.00 H new ATOM 640 N ALA A 40 4.143 3.032 -6.046 1.00 0.00 N ATOM 641 CA ALA A 40 5.044 3.878 -6.818 1.00 0.00 C ATOM 642 C ALA A 40 4.333 4.396 -8.068 1.00 0.00 C ATOM 643 O ALA A 40 4.543 5.539 -8.473 1.00 0.00 O ATOM 644 CB ALA A 40 6.281 3.073 -7.233 1.00 0.00 C ATOM 0 H ALA A 40 4.370 2.039 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 40 5.349 4.724 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.952 3.709 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.797 2.714 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.974 2.223 -7.842 1.00 0.00 H new ATOM 650 N PHE A 41 3.493 3.552 -8.671 1.00 0.00 N ATOM 651 CA PHE A 41 2.681 3.872 -9.833 1.00 0.00 C ATOM 652 C PHE A 41 1.459 2.956 -9.812 1.00 0.00 C ATOM 653 O PHE A 41 1.544 1.832 -9.320 1.00 0.00 O ATOM 654 CB PHE A 41 3.500 3.658 -11.115 1.00 0.00 C ATOM 655 CG PHE A 41 2.827 4.204 -12.359 1.00 0.00 C ATOM 656 CD1 PHE A 41 2.921 5.577 -12.662 1.00 0.00 C ATOM 657 CD2 PHE A 41 2.089 3.352 -13.205 1.00 0.00 C ATOM 658 CE1 PHE A 41 2.294 6.092 -13.810 1.00 0.00 C ATOM 659 CE2 PHE A 41 1.457 3.871 -14.347 1.00 0.00 C ATOM 660 CZ PHE A 41 1.566 5.237 -14.657 1.00 0.00 C ATOM 0 H PHE A 41 3.359 2.594 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 41 2.364 4.915 -9.810 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.473 4.135 -10.999 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.681 2.591 -11.248 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.476 6.235 -12.010 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.009 2.300 -12.975 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.371 7.144 -14.042 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.885 3.218 -14.989 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.092 5.630 -15.544 1.00 0.00 H new ATOM 670 N GLY A 42 0.335 3.424 -10.351 1.00 0.00 N ATOM 671 CA GLY A 42 -0.923 2.686 -10.391 1.00 0.00 C ATOM 672 C GLY A 42 -2.030 3.608 -10.887 1.00 0.00 C ATOM 673 O GLY A 42 -2.763 3.243 -11.805 1.00 0.00 O ATOM 0 H GLY A 42 0.274 4.347 -10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.831 1.822 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.167 2.306 -9.399 1.00 0.00 H new ATOM 677 N GLN A 43 -2.053 4.836 -10.349 1.00 0.00 N ATOM 678 CA GLN A 43 -2.850 5.993 -10.768 1.00 0.00 C ATOM 679 C GLN A 43 -4.312 5.681 -11.137 1.00 0.00 C ATOM 680 O GLN A 43 -4.861 6.260 -12.078 1.00 0.00 O ATOM 681 CB GLN A 43 -2.084 6.810 -11.832 1.00 0.00 C ATOM 682 CG GLN A 43 -1.792 6.065 -13.148 1.00 0.00 C ATOM 683 CD GLN A 43 -1.317 6.999 -14.266 1.00 0.00 C ATOM 684 OE1 GLN A 43 -0.692 8.032 -14.036 1.00 0.00 O ATOM 685 NE2 GLN A 43 -1.613 6.666 -15.513 1.00 0.00 N ATOM 0 H GLN A 43 -1.467 5.061 -9.545 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.973 6.626 -9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.659 7.707 -12.061 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.138 7.139 -11.402 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.032 5.304 -12.969 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.693 5.545 -13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.132 5.808 -15.702 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.322 7.267 -16.284 1.00 0.00 H new ATOM 694 N ARG A 44 -4.958 4.776 -10.395 1.00 0.00 N ATOM 695 CA ARG A 44 -6.347 4.373 -10.619 1.00 0.00 C ATOM 696 C ARG A 44 -7.026 4.226 -9.268 1.00 0.00 C ATOM 697 O ARG A 44 -6.354 4.009 -8.256 1.00 0.00 O ATOM 698 CB ARG A 44 -6.396 3.039 -11.388 1.00 0.00 C ATOM 699 CG ARG A 44 -5.955 3.152 -12.856 1.00 0.00 C ATOM 700 CD ARG A 44 -5.756 1.753 -13.445 1.00 0.00 C ATOM 701 NE ARG A 44 -5.290 1.805 -14.840 1.00 0.00 N ATOM 702 CZ ARG A 44 -4.015 1.886 -15.243 1.00 0.00 C ATOM 703 NH1 ARG A 44 -3.010 2.080 -14.396 1.00 0.00 N ATOM 704 NH2 ARG A 44 -3.716 1.772 -16.529 1.00 0.00 N ATOM 0 H ARG A 44 -4.521 4.295 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.863 5.126 -11.214 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.758 2.315 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.413 2.647 -11.353 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.705 3.695 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.028 3.721 -12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.033 1.205 -12.841 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.695 1.202 -13.396 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.004 1.777 -15.568 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.195 2.173 -13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.053 2.136 -14.744 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.457 1.622 -17.214 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.745 1.834 -16.834 1.00 0.00 H new ATOM 718 N ASP A 45 -8.355 4.308 -9.256 1.00 0.00 N ATOM 719 CA ASP A 45 -9.156 4.028 -8.069 1.00 0.00 C ATOM 720 C ASP A 45 -8.804 2.631 -7.553 1.00 0.00 C ATOM 721 O ASP A 45 -8.872 1.655 -8.304 1.00 0.00 O ATOM 722 CB ASP A 45 -10.652 4.124 -8.391 1.00 0.00 C ATOM 723 CG ASP A 45 -11.498 3.673 -7.189 1.00 0.00 C ATOM 724 OD1 ASP A 45 -11.454 4.342 -6.134 1.00 0.00 O ATOM 725 OD2 ASP A 45 -12.217 2.656 -7.296 1.00 0.00 O ATOM 0 H ASP A 45 -8.907 4.571 -10.072 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.935 4.767 -7.299 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.907 5.150 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.883 3.504 -9.257 1.00 0.00 H new ATOM 730 N GLY A 46 -8.381 2.547 -6.291 1.00 0.00 N ATOM 731 CA GLY A 46 -7.978 1.300 -5.652 1.00 0.00 C ATOM 732 C GLY A 46 -6.461 1.117 -5.572 1.00 0.00 C ATOM 733 O GLY A 46 -6.021 0.294 -4.768 1.00 0.00 O ATOM 0 H GLY A 46 -8.309 3.358 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.394 1.266 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.408 0.463 -6.202 1.00 0.00 H new ATOM 737 N ILE A 47 -5.681 1.874 -6.354 1.00 0.00 N ATOM 738 CA ILE A 47 -4.214 1.883 -6.385 1.00 0.00 C ATOM 739 C ILE A 47 -3.746 3.333 -6.581 1.00 0.00 C ATOM 740 O ILE A 47 -3.041 3.684 -7.533 1.00 0.00 O ATOM 741 CB ILE A 47 -3.635 0.893 -7.429 1.00 0.00 C ATOM 742 CG1 ILE A 47 -4.244 1.057 -8.841 1.00 0.00 C ATOM 743 CG2 ILE A 47 -3.798 -0.547 -6.919 1.00 0.00 C ATOM 744 CD1 ILE A 47 -3.569 0.184 -9.905 1.00 0.00 C ATOM 0 H ILE A 47 -6.081 2.535 -7.020 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.822 1.518 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.576 1.127 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.305 0.811 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.170 2.102 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.391 -1.242 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.264 -0.662 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.856 -0.761 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.048 0.351 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.513 0.445 -9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.666 -0.866 -9.629 1.00 0.00 H new ATOM 756 N ARG A 48 -4.214 4.207 -5.688 1.00 0.00 N ATOM 757 CA ARG A 48 -3.833 5.616 -5.652 1.00 0.00 C ATOM 758 C ARG A 48 -2.332 5.693 -5.372 1.00 0.00 C ATOM 759 O ARG A 48 -1.837 4.985 -4.492 1.00 0.00 O ATOM 760 CB ARG A 48 -4.655 6.327 -4.561 1.00 0.00 C ATOM 761 CG ARG A 48 -6.153 6.389 -4.921 1.00 0.00 C ATOM 762 CD ARG A 48 -7.047 6.605 -3.695 1.00 0.00 C ATOM 763 NE ARG A 48 -6.918 7.947 -3.106 1.00 0.00 N ATOM 764 CZ ARG A 48 -7.669 8.401 -2.094 1.00 0.00 C ATOM 765 NH1 ARG A 48 -8.591 7.623 -1.529 1.00 0.00 N ATOM 766 NH2 ARG A 48 -7.492 9.642 -1.650 1.00 0.00 N ATOM 0 H ARG A 48 -4.879 3.949 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.038 6.112 -6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.530 5.803 -3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.273 7.338 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.318 7.197 -5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.442 5.463 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.086 6.439 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.800 5.859 -2.939 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.211 8.572 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.731 6.671 -1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.157 7.980 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.788 10.242 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.060 9.994 -0.880 1.00 0.00 H new ATOM 780 N VAL A 49 -1.600 6.531 -6.106 1.00 0.00 N ATOM 781 CA VAL A 49 -0.161 6.689 -5.904 1.00 0.00 C ATOM 782 C VAL A 49 0.068 7.168 -4.462 1.00 0.00 C ATOM 783 O VAL A 49 -0.660 8.033 -3.967 1.00 0.00 O ATOM 784 CB VAL A 49 0.435 7.637 -6.968 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.961 7.750 -6.840 1.00 0.00 C ATOM 786 CG2 VAL A 49 0.119 7.139 -8.390 1.00 0.00 C ATOM 0 H VAL A 49 -1.984 7.114 -6.850 1.00 0.00 H new ATOM 0 HA VAL A 49 0.361 5.741 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.020 8.613 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.341 8.426 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.216 8.139 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.411 6.766 -6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.550 7.824 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.544 6.145 -8.530 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.961 7.094 -8.528 1.00 0.00 H new ATOM 796 N GLY A 50 1.059 6.589 -3.781 1.00 0.00 N ATOM 797 CA GLY A 50 1.425 6.962 -2.422 1.00 0.00 C ATOM 798 C GLY A 50 0.597 6.263 -1.339 1.00 0.00 C ATOM 799 O GLY A 50 0.933 6.414 -0.164 1.00 0.00 O ATOM 0 H GLY A 50 1.634 5.840 -4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.479 6.732 -2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.314 8.041 -2.310 1.00 0.00 H new ATOM 803 N HIS A 51 -0.460 5.515 -1.682 1.00 0.00 N ATOM 804 CA HIS A 51 -1.143 4.657 -0.712 1.00 0.00 C ATOM 805 C HIS A 51 -0.256 3.448 -0.421 1.00 0.00 C ATOM 806 O HIS A 51 0.664 3.151 -1.184 1.00 0.00 O ATOM 807 CB HIS A 51 -2.519 4.205 -1.225 1.00 0.00 C ATOM 808 CG HIS A 51 -3.631 5.168 -0.898 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.615 6.541 -1.006 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.838 4.825 -0.355 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.793 7.004 -0.560 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.580 5.991 -0.156 1.00 0.00 N ATOM 0 H HIS A 51 -0.858 5.488 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.315 5.224 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.469 4.074 -2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.755 3.231 -0.796 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.844 7.106 -1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.163 3.822 -0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.071 8.047 -0.530 1.00 0.00 H new ATOM 820 N ALA A 52 -0.549 2.734 0.665 1.00 0.00 N ATOM 821 CA ALA A 52 0.244 1.621 1.157 1.00 0.00 C ATOM 822 C ALA A 52 -0.501 0.307 0.958 1.00 0.00 C ATOM 823 O ALA A 52 -1.733 0.294 0.904 1.00 0.00 O ATOM 824 CB ALA A 52 0.495 1.835 2.651 1.00 0.00 C ATOM 0 H ALA A 52 -1.370 2.924 1.240 1.00 0.00 H new ATOM 0 HA ALA A 52 1.185 1.574 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.090 1.009 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.033 2.772 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.458 1.877 3.178 1.00 0.00 H new ATOM 830 N VAL A 53 0.237 -0.803 0.881 1.00 0.00 N ATOM 831 CA VAL A 53 -0.378 -2.125 0.927 1.00 0.00 C ATOM 832 C VAL A 53 -0.837 -2.315 2.375 1.00 0.00 C ATOM 833 O VAL A 53 -0.097 -2.003 3.313 1.00 0.00 O ATOM 834 CB VAL A 53 0.607 -3.231 0.495 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.044 -4.620 0.543 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.125 -3.010 -0.936 1.00 0.00 C ATOM 0 H VAL A 53 1.253 -0.810 0.787 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.213 -2.197 0.230 1.00 0.00 H new ATOM 0 HB VAL A 53 1.435 -3.180 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.681 -5.372 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.374 -4.832 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.902 -4.643 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.816 -3.811 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.285 -3.010 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.642 -2.052 -0.992 1.00 0.00 H new ATOM 846 N LEU A 54 -2.041 -2.846 2.558 1.00 0.00 N ATOM 847 CA LEU A 54 -2.626 -3.147 3.860 1.00 0.00 C ATOM 848 C LEU A 54 -2.735 -4.657 4.031 1.00 0.00 C ATOM 849 O LEU A 54 -2.452 -5.147 5.126 1.00 0.00 O ATOM 850 CB LEU A 54 -4.000 -2.456 4.003 1.00 0.00 C ATOM 851 CG LEU A 54 -3.988 -1.140 4.809 1.00 0.00 C ATOM 852 CD1 LEU A 54 -3.810 -1.396 6.311 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.916 -0.150 4.338 1.00 0.00 C ATOM 0 H LEU A 54 -2.656 -3.086 1.780 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.983 -2.759 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.392 -2.251 3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.691 -3.151 4.481 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.963 -0.688 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.807 -0.445 6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.631 -2.013 6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.865 -1.912 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.962 0.753 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.931 -0.605 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.092 0.107 3.293 1.00 0.00 H new ATOM 865 N ALA A 55 -3.046 -5.416 2.972 1.00 0.00 N ATOM 866 CA ALA A 55 -3.021 -6.876 3.052 1.00 0.00 C ATOM 867 C ALA A 55 -2.717 -7.495 1.692 1.00 0.00 C ATOM 868 O ALA A 55 -2.954 -6.865 0.664 1.00 0.00 O ATOM 869 CB ALA A 55 -4.360 -7.402 3.591 1.00 0.00 C ATOM 0 H ALA A 55 -3.315 -5.045 2.061 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.226 -7.164 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.328 -8.490 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.537 -6.994 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.166 -7.096 2.924 1.00 0.00 H new ATOM 875 N ILE A 56 -2.269 -8.751 1.686 1.00 0.00 N ATOM 876 CA ILE A 56 -2.103 -9.572 0.489 1.00 0.00 C ATOM 877 C ILE A 56 -2.734 -10.919 0.819 1.00 0.00 C ATOM 878 O ILE A 56 -2.482 -11.478 1.885 1.00 0.00 O ATOM 879 CB ILE A 56 -0.616 -9.723 0.089 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.007 -8.359 -0.265 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.494 -10.683 -1.112 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.528 -8.394 -0.418 1.00 0.00 C ATOM 0 H ILE A 56 -2.004 -9.239 2.542 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.583 -9.107 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.073 -10.133 0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.434 -8.000 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.254 -7.639 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.555 -10.786 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.895 -11.659 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.056 -10.283 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.892 -7.397 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.980 -8.722 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.798 -9.088 -1.214 1.00 0.00 H new ATOM 894 N ASN A 57 -3.563 -11.431 -0.093 1.00 0.00 N ATOM 895 CA ASN A 57 -4.374 -12.644 0.049 1.00 0.00 C ATOM 896 C ASN A 57 -5.099 -12.701 1.406 1.00 0.00 C ATOM 897 O ASN A 57 -5.282 -13.772 1.984 1.00 0.00 O ATOM 898 CB ASN A 57 -3.527 -13.894 -0.263 1.00 0.00 C ATOM 899 CG ASN A 57 -2.917 -13.851 -1.663 1.00 0.00 C ATOM 900 OD1 ASN A 57 -3.592 -13.550 -2.645 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.622 -14.109 -1.783 1.00 0.00 N ATOM 0 H ASN A 57 -3.694 -10.986 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.175 -12.618 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.730 -13.982 0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.149 -14.784 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.175 -14.059 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.073 -14.358 -0.960 1.00 0.00 H new ATOM 908 N GLY A 58 -5.481 -11.530 1.933 1.00 0.00 N ATOM 909 CA GLY A 58 -6.200 -11.374 3.194 1.00 0.00 C ATOM 910 C GLY A 58 -5.291 -11.278 4.424 1.00 0.00 C ATOM 911 O GLY A 58 -5.790 -10.957 5.505 1.00 0.00 O ATOM 0 H GLY A 58 -5.289 -10.639 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.816 -10.477 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.877 -12.219 3.321 1.00 0.00 H new ATOM 915 N MET A 59 -3.985 -11.531 4.288 1.00 0.00 N ATOM 916 CA MET A 59 -3.014 -11.421 5.370 1.00 0.00 C ATOM 917 C MET A 59 -2.577 -9.963 5.493 1.00 0.00 C ATOM 918 O MET A 59 -1.969 -9.425 4.565 1.00 0.00 O ATOM 919 CB MET A 59 -1.777 -12.296 5.098 1.00 0.00 C ATOM 920 CG MET A 59 -2.095 -13.775 4.872 1.00 0.00 C ATOM 921 SD MET A 59 -0.626 -14.839 4.887 1.00 0.00 S ATOM 922 CE MET A 59 -1.410 -16.437 4.541 1.00 0.00 C ATOM 0 H MET A 59 -3.570 -11.823 3.403 1.00 0.00 H new ATOM 0 HA MET A 59 -3.481 -11.764 6.293 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.257 -11.909 4.221 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.091 -12.208 5.940 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.787 -14.112 5.644 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.606 -13.887 3.916 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.649 -17.217 4.513 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.134 -16.664 5.324 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.919 -16.392 3.578 1.00 0.00 H new ATOM 932 N ASP A 60 -2.881 -9.332 6.628 1.00 0.00 N ATOM 933 CA ASP A 60 -2.366 -8.016 7.016 1.00 0.00 C ATOM 934 C ASP A 60 -0.842 -7.973 6.859 1.00 0.00 C ATOM 935 O ASP A 60 -0.155 -8.835 7.414 1.00 0.00 O ATOM 936 CB ASP A 60 -2.754 -7.751 8.475 1.00 0.00 C ATOM 937 CG ASP A 60 -1.999 -6.548 9.063 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.377 -5.395 8.761 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.059 -6.766 9.859 1.00 0.00 O ATOM 0 H ASP A 60 -3.510 -9.733 7.323 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.795 -7.248 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.827 -7.571 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.544 -8.638 9.073 1.00 0.00 H new ATOM 944 N VAL A 61 -0.304 -7.012 6.098 1.00 0.00 N ATOM 945 CA VAL A 61 1.144 -6.916 5.910 1.00 0.00 C ATOM 946 C VAL A 61 1.775 -6.166 7.089 1.00 0.00 C ATOM 947 O VAL A 61 1.253 -5.155 7.567 1.00 0.00 O ATOM 948 CB VAL A 61 1.538 -6.312 4.541 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.051 -7.202 3.386 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.063 -4.872 4.306 1.00 0.00 C ATOM 0 H VAL A 61 -0.844 -6.299 5.609 1.00 0.00 H new ATOM 0 HA VAL A 61 1.546 -7.929 5.894 1.00 0.00 H new ATOM 0 HB VAL A 61 2.627 -6.274 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.341 -6.755 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.501 -8.191 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.034 -7.292 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.388 -4.538 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.025 -4.834 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.488 -4.220 5.068 1.00 0.00 H new ATOM 960 N ASN A 62 2.939 -6.643 7.524 1.00 0.00 N ATOM 961 CA ASN A 62 3.819 -5.986 8.478 1.00 0.00 C ATOM 962 C ASN A 62 4.612 -4.901 7.742 1.00 0.00 C ATOM 963 O ASN A 62 5.813 -5.052 7.500 1.00 0.00 O ATOM 964 CB ASN A 62 4.741 -7.024 9.141 1.00 0.00 C ATOM 965 CG ASN A 62 5.689 -6.385 10.159 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.431 -5.313 10.701 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.812 -7.027 10.440 1.00 0.00 N ATOM 0 H ASN A 62 3.308 -7.539 7.205 1.00 0.00 H new ATOM 0 HA ASN A 62 3.242 -5.514 9.273 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.135 -7.782 9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.324 -7.533 8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.471 -6.632 11.111 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.018 -7.917 9.985 1.00 0.00 H new ATOM 974 N GLY A 63 3.921 -3.850 7.293 1.00 0.00 N ATOM 975 CA GLY A 63 4.480 -2.649 6.678 1.00 0.00 C ATOM 976 C GLY A 63 5.030 -2.871 5.271 1.00 0.00 C ATOM 977 O GLY A 63 4.490 -2.343 4.297 1.00 0.00 O ATOM 0 H GLY A 63 2.903 -3.815 7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.708 -1.880 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.279 -2.266 7.313 1.00 0.00 H new ATOM 981 N ARG A 64 6.095 -3.664 5.161 1.00 0.00 N ATOM 982 CA ARG A 64 6.715 -4.098 3.910 1.00 0.00 C ATOM 983 C ARG A 64 7.076 -5.582 3.941 1.00 0.00 C ATOM 984 O ARG A 64 7.721 -6.053 3.007 1.00 0.00 O ATOM 985 CB ARG A 64 7.930 -3.220 3.551 1.00 0.00 C ATOM 986 CG ARG A 64 9.008 -3.102 4.643 1.00 0.00 C ATOM 987 CD ARG A 64 10.427 -3.275 4.077 1.00 0.00 C ATOM 988 NE ARG A 64 11.447 -2.701 4.971 1.00 0.00 N ATOM 989 CZ ARG A 64 12.756 -2.604 4.696 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.264 -3.113 3.578 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.558 -1.971 5.550 1.00 0.00 N ATOM 0 H ARG A 64 6.572 -4.039 5.981 1.00 0.00 H new ATOM 0 HA ARG A 64 5.976 -3.969 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.393 -3.622 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.574 -2.219 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.928 -2.129 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.830 -3.855 5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.631 -4.335 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.489 -2.796 3.100 1.00 0.00 H new ATOM 0 HE ARG A 64 11.132 -2.348 5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.655 -3.588 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.262 -3.029 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.175 -1.565 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.555 -1.892 5.350 1.00 0.00 H new ATOM 1005 N TYR A 65 6.647 -6.332 4.953 1.00 0.00 N ATOM 1006 CA TYR A 65 6.825 -7.778 5.014 1.00 0.00 C ATOM 1007 C TYR A 65 5.441 -8.416 5.100 1.00 0.00 C ATOM 1008 O TYR A 65 4.507 -7.778 5.585 1.00 0.00 O ATOM 1009 CB TYR A 65 7.727 -8.149 6.199 1.00 0.00 C ATOM 1010 CG TYR A 65 9.116 -7.537 6.118 1.00 0.00 C ATOM 1011 CD1 TYR A 65 10.156 -8.231 5.472 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.356 -6.250 6.639 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.423 -7.639 5.324 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.617 -5.645 6.484 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.660 -6.340 5.830 1.00 0.00 C ATOM 1016 OH TYR A 65 12.881 -5.751 5.691 1.00 0.00 O ATOM 0 H TYR A 65 6.160 -5.947 5.763 1.00 0.00 H new ATOM 0 HA TYR A 65 7.325 -8.154 4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.250 -7.826 7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.819 -9.234 6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.980 -9.225 5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.569 -5.725 7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.215 -8.176 4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.788 -4.649 6.865 1.00 0.00 H new ATOM 0 HH TYR A 65 13.311 -6.078 4.874 1.00 0.00 H new ATOM 1026 N THR A 66 5.268 -9.645 4.620 1.00 0.00 N ATOM 1027 CA THR A 66 4.024 -10.371 4.816 1.00 0.00 C ATOM 1028 C THR A 66 3.851 -10.692 6.301 1.00 0.00 C ATOM 1029 O THR A 66 4.768 -10.532 7.114 1.00 0.00 O ATOM 1030 CB THR A 66 3.989 -11.654 3.966 1.00 0.00 C ATOM 1031 OG1 THR A 66 5.112 -12.477 4.223 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.948 -11.341 2.471 1.00 0.00 C ATOM 0 H THR A 66 5.976 -10.156 4.093 1.00 0.00 H new ATOM 0 HA THR A 66 3.194 -9.744 4.489 1.00 0.00 H new ATOM 0 HB THR A 66 3.078 -12.182 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.060 -13.284 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.924 -12.272 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.056 -10.756 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.835 -10.771 2.194 1.00 0.00 H new ATOM 1040 N ALA A 67 2.669 -11.199 6.641 1.00 0.00 N ATOM 1041 CA ALA A 67 2.412 -11.762 7.953 1.00 0.00 C ATOM 1042 C ALA A 67 3.382 -12.917 8.245 1.00 0.00 C ATOM 1043 O ALA A 67 3.861 -13.056 9.371 1.00 0.00 O ATOM 1044 CB ALA A 67 0.971 -12.255 7.966 1.00 0.00 C ATOM 0 H ALA A 67 1.867 -11.229 6.012 1.00 0.00 H new ATOM 0 HA ALA A 67 2.563 -11.009 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.743 -12.686 8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.299 -11.419 7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.839 -13.013 7.194 1.00 0.00 H new ATOM 1050 N ASP A 68 3.687 -13.723 7.219 1.00 0.00 N ATOM 1051 CA ASP A 68 4.638 -14.832 7.316 1.00 0.00 C ATOM 1052 C ASP A 68 6.079 -14.328 7.465 1.00 0.00 C ATOM 1053 O ASP A 68 6.845 -14.907 8.237 1.00 0.00 O ATOM 1054 CB ASP A 68 4.525 -15.749 6.096 1.00 0.00 C ATOM 1055 CG ASP A 68 5.463 -16.958 6.242 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.152 -17.875 7.038 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.498 -17.010 5.544 1.00 0.00 O ATOM 0 H ASP A 68 3.275 -13.620 6.291 1.00 0.00 H new ATOM 0 HA ASP A 68 4.386 -15.401 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.496 -16.091 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.776 -15.194 5.192 1.00 0.00 H new ATOM 1062 N GLY A 69 6.438 -13.238 6.773 1.00 0.00 N ATOM 1063 CA GLY A 69 7.696 -12.517 6.972 1.00 0.00 C ATOM 1064 C GLY A 69 8.533 -12.272 5.712 1.00 0.00 C ATOM 1065 O GLY A 69 9.629 -11.721 5.835 1.00 0.00 O ATOM 0 H GLY A 69 5.850 -12.828 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.472 -11.553 7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.303 -13.074 7.685 1.00 0.00 H new ATOM 1069 N LYS A 70 8.086 -12.673 4.515 1.00 0.00 N ATOM 1070 CA LYS A 70 8.800 -12.366 3.269 1.00 0.00 C ATOM 1071 C LYS A 70 8.680 -10.872 3.028 1.00 0.00 C ATOM 1072 O LYS A 70 7.631 -10.303 3.319 1.00 0.00 O ATOM 1073 CB LYS A 70 8.179 -13.128 2.085 1.00 0.00 C ATOM 1074 CG LYS A 70 8.668 -14.577 1.939 1.00 0.00 C ATOM 1075 CD LYS A 70 8.565 -15.410 3.220 1.00 0.00 C ATOM 1076 CE LYS A 70 8.874 -16.885 2.946 1.00 0.00 C ATOM 1077 NZ LYS A 70 8.808 -17.692 4.186 1.00 0.00 N ATOM 0 H LYS A 70 7.230 -13.212 4.383 1.00 0.00 H new ATOM 0 HA LYS A 70 9.844 -12.668 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.095 -13.133 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.400 -12.588 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.090 -15.066 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.707 -14.566 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.259 -15.023 3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.563 -15.317 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.165 -17.277 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.867 -16.974 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.955 -18.695 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.547 -17.376 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.875 -17.572 4.629 1.00 0.00 H new ATOM 1091 N GLU A 71 9.707 -10.226 2.480 1.00 0.00 N ATOM 1092 CA GLU A 71 9.552 -8.846 2.034 1.00 0.00 C ATOM 1093 C GLU A 71 8.532 -8.861 0.897 1.00 0.00 C ATOM 1094 O GLU A 71 8.637 -9.673 -0.022 1.00 0.00 O ATOM 1095 CB GLU A 71 10.892 -8.223 1.614 1.00 0.00 C ATOM 1096 CG GLU A 71 10.716 -6.710 1.395 1.00 0.00 C ATOM 1097 CD GLU A 71 12.032 -5.950 1.154 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.882 -6.404 0.356 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.195 -4.860 1.747 1.00 0.00 O ATOM 0 H GLU A 71 10.635 -10.625 2.337 1.00 0.00 H new ATOM 0 HA GLU A 71 9.196 -8.216 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.644 -8.404 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.251 -8.693 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.057 -6.552 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.218 -6.284 2.266 1.00 0.00 H new ATOM 1106 N VAL A 72 7.542 -7.975 0.956 1.00 0.00 N ATOM 1107 CA VAL A 72 6.434 -7.914 0.008 1.00 0.00 C ATOM 1108 C VAL A 72 6.953 -7.741 -1.423 1.00 0.00 C ATOM 1109 O VAL A 72 6.407 -8.350 -2.342 1.00 0.00 O ATOM 1110 CB VAL A 72 5.464 -6.791 0.441 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.459 -6.428 -0.656 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.692 -7.215 1.701 1.00 0.00 C ATOM 0 H VAL A 72 7.487 -7.262 1.683 1.00 0.00 H new ATOM 0 HA VAL A 72 5.880 -8.853 0.013 1.00 0.00 H new ATOM 0 HB VAL A 72 6.074 -5.911 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.802 -5.635 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.995 -6.085 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.864 -7.305 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.012 -6.416 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.121 -8.119 1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.396 -7.411 2.510 1.00 0.00 H new ATOM 1122 N LEU A 73 8.021 -6.960 -1.615 1.00 0.00 N ATOM 1123 CA LEU A 73 8.603 -6.750 -2.937 1.00 0.00 C ATOM 1124 C LEU A 73 9.114 -8.073 -3.510 1.00 0.00 C ATOM 1125 O LEU A 73 8.909 -8.343 -4.692 1.00 0.00 O ATOM 1126 CB LEU A 73 9.735 -5.706 -2.881 1.00 0.00 C ATOM 1127 CG LEU A 73 9.299 -4.296 -2.429 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.512 -3.363 -2.383 1.00 0.00 C ATOM 1129 CD2 LEU A 73 8.228 -3.681 -3.340 1.00 0.00 C ATOM 0 H LEU A 73 8.500 -6.462 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 73 7.825 -6.365 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.508 -6.066 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.189 -5.630 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 73 8.862 -4.408 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.195 -2.370 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.246 -3.755 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.960 -3.299 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.962 -2.690 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.617 -3.598 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.343 -4.317 -3.342 1.00 0.00 H new ATOM 1141 N GLU A 74 9.734 -8.925 -2.687 1.00 0.00 N ATOM 1142 CA GLU A 74 10.210 -10.232 -3.128 1.00 0.00 C ATOM 1143 C GLU A 74 9.026 -11.185 -3.315 1.00 0.00 C ATOM 1144 O GLU A 74 8.980 -11.910 -4.309 1.00 0.00 O ATOM 1145 CB GLU A 74 11.214 -10.823 -2.124 1.00 0.00 C ATOM 1146 CG GLU A 74 12.499 -9.989 -2.020 1.00 0.00 C ATOM 1147 CD GLU A 74 13.577 -10.714 -1.193 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.492 -10.741 0.056 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.535 -11.261 -1.787 1.00 0.00 O ATOM 0 H GLU A 74 9.917 -8.726 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 74 10.722 -10.105 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.746 -10.888 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.468 -11.840 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.883 -9.784 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.273 -9.026 -1.561 1.00 0.00 H new ATOM 1156 N TYR A 75 8.054 -11.160 -2.392 1.00 0.00 N ATOM 1157 CA TYR A 75 6.891 -12.038 -2.432 1.00 0.00 C ATOM 1158 C TYR A 75 6.123 -11.832 -3.734 1.00 0.00 C ATOM 1159 O TYR A 75 5.850 -12.802 -4.438 1.00 0.00 O ATOM 1160 CB TYR A 75 5.973 -11.799 -1.221 1.00 0.00 C ATOM 1161 CG TYR A 75 4.880 -12.848 -1.090 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.156 -14.045 -0.403 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.610 -12.659 -1.678 1.00 0.00 C ATOM 1164 CE1 TYR A 75 4.179 -15.050 -0.301 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.631 -13.666 -1.594 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.914 -14.870 -0.904 1.00 0.00 C ATOM 1167 OH TYR A 75 1.985 -15.864 -0.815 1.00 0.00 O ATOM 0 H TYR A 75 8.059 -10.524 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 75 7.240 -13.070 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.574 -11.793 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.515 -10.814 -1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.126 -14.192 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.389 -11.737 -2.195 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.395 -15.960 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.665 -13.521 -2.055 1.00 0.00 H new ATOM 0 HH TYR A 75 1.166 -15.589 -1.279 1.00 0.00 H new ATOM 1177 N LEU A 76 5.801 -10.579 -4.064 1.00 0.00 N ATOM 1178 CA LEU A 76 5.056 -10.223 -5.266 1.00 0.00 C ATOM 1179 C LEU A 76 5.955 -10.285 -6.502 1.00 0.00 C ATOM 1180 O LEU A 76 5.462 -10.575 -7.590 1.00 0.00 O ATOM 1181 CB LEU A 76 4.469 -8.807 -5.117 1.00 0.00 C ATOM 1182 CG LEU A 76 3.379 -8.670 -4.033 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.006 -7.194 -3.873 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.124 -9.481 -4.374 1.00 0.00 C ATOM 0 H LEU A 76 6.056 -9.774 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 76 4.245 -10.940 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.279 -8.115 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.050 -8.500 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 76 3.784 -9.064 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.236 -7.094 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.888 -6.626 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.628 -6.809 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.384 -9.355 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.709 -9.130 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.385 -10.536 -4.462 1.00 0.00 H new ATOM 1196 N GLY A 77 7.259 -10.021 -6.353 1.00 0.00 N ATOM 1197 CA GLY A 77 8.220 -10.093 -7.444 1.00 0.00 C ATOM 1198 C GLY A 77 8.348 -11.511 -8.002 1.00 0.00 C ATOM 1199 O GLY A 77 8.490 -11.674 -9.213 1.00 0.00 O ATOM 0 H GLY A 77 7.673 -9.750 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.914 -9.416 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.194 -9.752 -7.092 1.00 0.00 H new ATOM 1203 N ASN A 78 8.274 -12.533 -7.140 1.00 0.00 N ATOM 1204 CA ASN A 78 8.226 -13.936 -7.551 1.00 0.00 C ATOM 1205 C ASN A 78 6.947 -14.176 -8.370 1.00 0.00 C ATOM 1206 O ASN A 78 5.855 -14.047 -7.807 1.00 0.00 O ATOM 1207 CB ASN A 78 8.256 -14.839 -6.304 1.00 0.00 C ATOM 1208 CG ASN A 78 8.157 -16.332 -6.620 1.00 0.00 C ATOM 1209 OD1 ASN A 78 7.994 -16.753 -7.762 1.00 0.00 O ATOM 1210 ND2 ASN A 78 8.251 -17.175 -5.607 1.00 0.00 N ATOM 0 H ASN A 78 8.246 -12.405 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 78 9.090 -14.176 -8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.179 -14.654 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.433 -14.561 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.188 -18.180 -5.772 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.386 -16.821 -4.660 1.00 0.00 H new ATOM 1217 N PRO A 79 7.023 -14.554 -9.662 1.00 0.00 N ATOM 1218 CA PRO A 79 5.836 -14.703 -10.490 1.00 0.00 C ATOM 1219 C PRO A 79 4.929 -15.865 -10.081 1.00 0.00 C ATOM 1220 O PRO A 79 3.773 -15.894 -10.507 1.00 0.00 O ATOM 1221 CB PRO A 79 6.325 -14.771 -11.932 1.00 0.00 C ATOM 1222 CG PRO A 79 7.728 -15.359 -11.790 1.00 0.00 C ATOM 1223 CD PRO A 79 8.219 -14.787 -10.459 1.00 0.00 C ATOM 0 HA PRO A 79 5.173 -13.848 -10.356 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.683 -15.402 -12.547 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.345 -13.786 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.707 -16.449 -11.776 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.373 -15.063 -12.617 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.893 -15.483 -9.959 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.773 -13.861 -10.612 1.00 0.00 H new ATOM 1231 N ALA A 80 5.377 -16.772 -9.201 1.00 0.00 N ATOM 1232 CA ALA A 80 4.494 -17.767 -8.596 1.00 0.00 C ATOM 1233 C ALA A 80 3.370 -17.089 -7.785 1.00 0.00 C ATOM 1234 O ALA A 80 2.353 -17.723 -7.504 1.00 0.00 O ATOM 1235 CB ALA A 80 5.304 -18.713 -7.703 1.00 0.00 C ATOM 0 H ALA A 80 6.348 -16.833 -8.895 1.00 0.00 H new ATOM 0 HA ALA A 80 4.029 -18.345 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.638 -19.451 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.059 -19.221 -8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.792 -18.140 -6.914 1.00 0.00 H new ATOM 1241 N ASN A 81 3.536 -15.804 -7.439 1.00 0.00 N ATOM 1242 CA ASN A 81 2.577 -14.976 -6.714 1.00 0.00 C ATOM 1243 C ASN A 81 2.212 -13.737 -7.548 1.00 0.00 C ATOM 1244 O ASN A 81 1.832 -12.716 -6.977 1.00 0.00 O ATOM 1245 CB ASN A 81 3.157 -14.529 -5.360 1.00 0.00 C ATOM 1246 CG ASN A 81 3.699 -15.645 -4.479 1.00 0.00 C ATOM 1247 OD1 ASN A 81 3.067 -16.681 -4.286 1.00 0.00 O ATOM 1248 ND2 ASN A 81 4.890 -15.456 -3.937 1.00 0.00 N ATOM 0 H ASN A 81 4.388 -15.294 -7.672 1.00 0.00 H new ATOM 0 HA ASN A 81 1.681 -15.571 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.959 -13.815 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.380 -13.999 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.301 -16.178 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.397 -14.588 -4.110 1.00 0.00 H new ATOM 1255 N TYR A 82 2.358 -13.771 -8.882 1.00 0.00 N ATOM 1256 CA TYR A 82 1.820 -12.700 -9.719 1.00 0.00 C ATOM 1257 C TYR A 82 0.291 -12.617 -9.571 1.00 0.00 C ATOM 1258 O TYR A 82 -0.176 -11.550 -9.182 1.00 0.00 O ATOM 1259 CB TYR A 82 2.255 -12.820 -11.194 1.00 0.00 C ATOM 1260 CG TYR A 82 3.533 -12.113 -11.635 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.450 -11.546 -10.722 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.794 -12.016 -13.017 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.611 -10.900 -11.182 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.948 -11.362 -13.486 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.865 -10.800 -12.569 1.00 0.00 C ATOM 1266 OH TYR A 82 6.979 -10.169 -13.033 1.00 0.00 O ATOM 0 H TYR A 82 2.835 -14.515 -9.391 1.00 0.00 H new ATOM 0 HA TYR A 82 2.246 -11.762 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.367 -13.880 -11.422 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.439 -12.446 -11.812 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.257 -11.609 -9.661 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.101 -12.448 -13.723 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.310 -10.479 -10.474 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.133 -11.289 -14.548 1.00 0.00 H new ATOM 0 HH TYR A 82 6.988 -10.199 -14.013 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.500 -13.678 -9.840 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.944 -13.637 -9.629 1.00 0.00 C ATOM 1278 C PRO A 83 -2.251 -13.730 -8.127 1.00 0.00 C ATOM 1279 O PRO A 83 -2.111 -14.802 -7.533 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.510 -14.814 -10.431 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.364 -15.825 -10.455 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.116 -14.943 -10.457 1.00 0.00 C ATOM 0 HA PRO A 83 -2.400 -12.706 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.400 -15.229 -9.958 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.797 -14.511 -11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.390 -16.483 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.408 -16.462 -11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.694 -15.416 -9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.245 -14.785 -11.473 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.673 -12.626 -7.507 1.00 0.00 N ATOM 1291 CA VAL A 84 -3.001 -12.558 -6.076 1.00 0.00 C ATOM 1292 C VAL A 84 -4.123 -11.541 -5.848 1.00 0.00 C ATOM 1293 O VAL A 84 -4.481 -10.792 -6.758 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.760 -12.188 -5.219 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.780 -13.359 -5.059 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.015 -10.948 -5.729 1.00 0.00 C ATOM 0 H VAL A 84 -2.800 -11.737 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.335 -13.546 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.169 -11.946 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.068 -13.043 -4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.286 -14.193 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.426 -13.674 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.160 -10.747 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.668 -11.125 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.687 -10.090 -5.719 1.00 0.00 H new ATOM 1306 N SER A 85 -4.659 -11.491 -4.631 1.00 0.00 N ATOM 1307 CA SER A 85 -5.570 -10.441 -4.197 1.00 0.00 C ATOM 1308 C SER A 85 -4.786 -9.531 -3.255 1.00 0.00 C ATOM 1309 O SER A 85 -3.951 -10.020 -2.492 1.00 0.00 O ATOM 1310 CB SER A 85 -6.784 -11.059 -3.501 1.00 0.00 C ATOM 1311 OG SER A 85 -7.445 -11.971 -4.367 1.00 0.00 O ATOM 0 H SER A 85 -4.469 -12.188 -3.911 1.00 0.00 H new ATOM 0 HA SER A 85 -5.947 -9.864 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.467 -11.574 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.475 -10.273 -3.196 1.00 0.00 H new ATOM 0 HG SER A 85 -8.218 -12.358 -3.906 1.00 0.00 H new ATOM 1317 N ILE A 86 -5.024 -8.222 -3.295 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.295 -7.246 -2.485 1.00 0.00 C ATOM 1319 C ILE A 86 -5.321 -6.227 -1.989 1.00 0.00 C ATOM 1320 O ILE A 86 -6.305 -5.933 -2.678 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.125 -6.600 -3.286 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.225 -7.669 -3.958 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.273 -5.675 -2.395 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.041 -7.119 -4.761 1.00 0.00 C ATOM 0 H ILE A 86 -5.735 -7.804 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.814 -7.722 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.581 -5.999 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.840 -8.334 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.842 -8.275 -4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.466 -5.242 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.899 -4.877 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.850 -6.251 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.476 -7.947 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.411 -6.479 -5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.393 -6.539 -4.103 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.080 -5.683 -0.797 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.842 -4.594 -0.202 1.00 0.00 C ATOM 1338 C ARG A 87 -4.858 -3.468 0.034 1.00 0.00 C ATOM 1339 O ARG A 87 -3.766 -3.724 0.555 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.475 -5.005 1.139 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.246 -6.323 1.058 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.088 -6.538 2.312 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.873 -7.772 2.209 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.844 -8.161 3.034 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -10.147 -7.457 4.116 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -10.502 -9.270 2.737 1.00 0.00 N ATOM 0 H ARG A 87 -4.319 -6.003 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.658 -4.304 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.692 -5.095 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.149 -4.216 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.890 -6.319 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.547 -7.151 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.439 -6.587 3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.755 -5.689 2.457 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.654 -8.393 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.633 -6.602 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.894 -7.771 4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.260 -9.798 1.898 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.251 -9.597 3.347 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.267 -2.249 -0.294 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.475 -1.036 -0.162 1.00 0.00 C ATOM 1362 C PHE A 88 -5.230 -0.080 0.752 1.00 0.00 C ATOM 1363 O PHE A 88 -6.438 -0.230 0.952 1.00 0.00 O ATOM 1364 CB PHE A 88 -4.251 -0.396 -1.543 1.00 0.00 C ATOM 1365 CG PHE A 88 -3.275 -1.135 -2.437 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -3.717 -2.156 -3.303 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -1.915 -0.777 -2.424 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -2.802 -2.805 -4.152 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -1.004 -1.429 -3.270 1.00 0.00 C ATOM 1370 CZ PHE A 88 -1.445 -2.442 -4.138 1.00 0.00 C ATOM 0 H PHE A 88 -6.197 -2.073 -0.674 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.497 -1.265 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.210 -0.327 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.892 0.623 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.759 -2.440 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.570 0.002 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.144 -3.585 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.039 -1.151 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.744 -2.939 -4.792 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.549 0.923 1.292 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.139 1.864 2.223 1.00 0.00 C ATOM 1382 C GLY A 89 -4.172 2.984 2.551 1.00 0.00 C ATOM 1383 O GLY A 89 -3.091 3.087 1.966 1.00 0.00 O ATOM 0 H GLY A 89 -3.565 1.104 1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.051 2.280 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.424 1.345 3.138 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.581 3.855 3.470 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.716 4.924 3.949 1.00 0.00 C ATOM 1389 C ARG A 90 -2.511 4.291 4.668 1.00 0.00 C ATOM 1390 O ARG A 90 -2.712 3.278 5.347 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.479 5.844 4.912 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.822 6.400 4.414 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.757 7.197 3.110 1.00 0.00 C ATOM 1394 NE ARG A 90 -7.090 7.759 2.809 1.00 0.00 N ATOM 1395 CZ ARG A 90 -8.106 7.088 2.249 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -7.878 5.948 1.612 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -9.348 7.550 2.337 1.00 0.00 N ATOM 0 H ARG A 90 -5.507 3.839 3.897 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.376 5.525 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.659 5.295 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.833 6.686 5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.513 5.568 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.242 7.039 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.024 7.999 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.429 6.553 2.294 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.250 8.738 3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.929 5.581 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.652 5.438 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.534 8.421 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.116 7.033 1.908 1.00 0.00 H new ATOM 1411 N PRO A 91 -1.296 4.863 4.562 1.00 0.00 N ATOM 1412 CA PRO A 91 -0.106 4.435 5.307 1.00 0.00 C ATOM 1413 C PRO A 91 -0.279 4.403 6.837 1.00 0.00 C ATOM 1414 O PRO A 91 -1.371 4.575 7.377 1.00 0.00 O ATOM 1415 CB PRO A 91 1.009 5.409 4.893 1.00 0.00 C ATOM 1416 CG PRO A 91 0.566 5.932 3.535 1.00 0.00 C ATOM 1417 CD PRO A 91 -0.952 5.960 3.666 1.00 0.00 C ATOM 0 HA PRO A 91 0.121 3.398 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 91 1.118 6.219 5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.974 4.906 4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.973 6.922 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.891 5.280 2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.292 6.914 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.430 5.835 2.694 1.00 0.00 H new ATOM 1425 N ARG A 92 0.834 4.213 7.561 1.00 0.00 N ATOM 1426 CA ARG A 92 0.867 4.224 9.030 1.00 0.00 C ATOM 1427 C ARG A 92 0.211 5.490 9.590 1.00 0.00 C ATOM 1428 O ARG A 92 -0.500 5.421 10.593 1.00 0.00 O ATOM 1429 CB ARG A 92 2.327 4.063 9.494 1.00 0.00 C ATOM 1430 CG ARG A 92 2.482 3.856 11.009 1.00 0.00 C ATOM 1431 CD ARG A 92 3.930 3.508 11.395 1.00 0.00 C ATOM 1432 NE ARG A 92 4.862 4.629 11.159 1.00 0.00 N ATOM 1433 CZ ARG A 92 5.664 4.817 10.099 1.00 0.00 C ATOM 1434 NH1 ARG A 92 5.736 3.920 9.115 1.00 0.00 N ATOM 1435 NH2 ARG A 92 6.392 5.922 10.034 1.00 0.00 N ATOM 0 H ARG A 92 1.747 4.046 7.137 1.00 0.00 H new ATOM 0 HA ARG A 92 0.286 3.388 9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 92 2.771 3.214 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 92 2.891 4.948 9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.174 4.761 11.532 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.817 3.057 11.336 1.00 0.00 H new ATOM 0 HD2 ARG A 92 3.965 3.226 12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.257 2.641 10.822 1.00 0.00 H new ATOM 0 HE ARG A 92 4.901 5.343 11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.174 3.070 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.353 4.084 8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.338 6.613 10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.007 6.081 9.236 1.00 0.00 H new ATOM 1449 N LEU A 93 0.423 6.629 8.927 1.00 0.00 N ATOM 1450 CA LEU A 93 -0.295 7.872 9.186 1.00 0.00 C ATOM 1451 C LEU A 93 -1.477 7.884 8.217 1.00 0.00 C ATOM 1452 O LEU A 93 -1.307 7.598 7.030 1.00 0.00 O ATOM 1453 CB LEU A 93 0.606 9.100 8.935 1.00 0.00 C ATOM 1454 CG LEU A 93 1.615 9.468 10.043 1.00 0.00 C ATOM 1455 CD1 LEU A 93 0.920 9.831 11.362 1.00 0.00 C ATOM 1456 CD2 LEU A 93 2.666 8.381 10.303 1.00 0.00 C ATOM 0 H LEU A 93 1.113 6.711 8.181 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.618 7.924 10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.163 8.929 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.038 9.963 8.763 1.00 0.00 H new ATOM 0 HG LEU A 93 2.136 10.345 9.659 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.670 10.083 12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.264 10.687 11.204 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.331 8.982 11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.341 8.709 11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.169 7.460 10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.236 8.200 9.392 1.00 0.00 H new ATOM 1468 N THR A 94 -2.675 8.200 8.711 1.00 0.00 N ATOM 1469 CA THR A 94 -3.893 8.186 7.902 1.00 0.00 C ATOM 1470 C THR A 94 -3.916 9.335 6.877 1.00 0.00 C ATOM 1471 O THR A 94 -4.549 9.208 5.827 1.00 0.00 O ATOM 1472 CB THR A 94 -5.109 8.179 8.849 1.00 0.00 C ATOM 1473 OG1 THR A 94 -4.903 7.177 9.836 1.00 0.00 O ATOM 1474 CG2 THR A 94 -6.424 7.840 8.144 1.00 0.00 C ATOM 0 H THR A 94 -2.827 8.472 9.682 1.00 0.00 H new ATOM 0 HA THR A 94 -3.928 7.280 7.297 1.00 0.00 H new ATOM 0 HB THR A 94 -5.190 9.184 9.264 1.00 0.00 H new ATOM 0 HG1 THR A 94 -5.667 7.160 10.449 1.00 0.00 H new ATOM 0 HG21 THR A 94 -7.239 7.852 8.868 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.620 8.577 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.352 6.849 7.696 1.00 0.00 H new ATOM 1482 N SER A 95 -3.208 10.437 7.139 1.00 0.00 N ATOM 1483 CA SER A 95 -2.977 11.496 6.165 1.00 0.00 C ATOM 1484 C SER A 95 -2.136 10.942 5.005 1.00 0.00 C ATOM 1485 O SER A 95 -1.156 10.224 5.227 1.00 0.00 O ATOM 1486 CB SER A 95 -2.301 12.687 6.868 1.00 0.00 C ATOM 1487 OG SER A 95 -1.463 12.280 7.947 1.00 0.00 O ATOM 0 H SER A 95 -2.776 10.617 8.045 1.00 0.00 H new ATOM 0 HA SER A 95 -3.918 11.852 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.709 13.244 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.067 13.366 7.243 1.00 0.00 H new ATOM 0 HG SER A 95 -1.055 13.070 8.360 1.00 0.00 H new ATOM 1493 N ASN A 96 -2.505 11.266 3.760 1.00 0.00 N ATOM 1494 CA ASN A 96 -1.819 10.790 2.561 1.00 0.00 C ATOM 1495 C ASN A 96 -1.958 11.814 1.448 1.00 0.00 C ATOM 1496 O ASN A 96 -0.960 12.076 0.748 1.00 0.00 O ATOM 1497 CB ASN A 96 -2.406 9.454 2.086 1.00 0.00 C ATOM 1498 CG ASN A 96 -1.534 8.857 0.992 1.00 0.00 C ATOM 1499 OD1 ASN A 96 -1.933 8.735 -0.163 1.00 0.00 O ATOM 1500 ND2 ASN A 96 -0.328 8.453 1.351 1.00 0.00 N ATOM 1501 OXT ASN A 96 -3.063 12.375 1.293 1.00 0.00 O ATOM 0 H ASN A 96 -3.299 11.874 3.558 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.767 10.646 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.476 8.761 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.419 9.606 1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.294 8.029 0.662 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.019 8.565 2.317 1.00 0.00 H new TER 1508 ASN A 96