USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl 140:sc= -0.592 (180deg=-3.98!) USER MOD Set 2.1: A 26 SER OG : rot -29:sc= 1.09 USER MOD Set 2.2: A 29 THR OG1 : rot 25:sc= 1.61 USER MOD Set 3.1: A 22 THR OG1 : rot -65:sc= 1.25 USER MOD Set 3.2: A 25 THR OG1 : rot -160:sc= 1.36 USER MOD Set 4.1: A 17 LYS NZ :NH3+ 156:sc= 0.703 (180deg=-0.533) USER MOD Set 4.2: A 88 GLN : amide:sc= -0.602 K(o=0.1,f=-7.7) USER MOD Set 5.1: A 13 MET CE :methyl -171:sc= -0.0535 (180deg=-0.244) USER MOD Set 5.2: A 63 HIS : no HE2:sc= 0.0507 K(o=-0.0029,f=-0.77) USER MOD Single : A 3 TYR OH : rot 0:sc= -0.107 USER MOD Single : A 14 THR OG1 : rot 110:sc= 0.0184 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.08 K(o=1.1,f=-0.007) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.426 USER MOD Single : A 51 THR OG1 : rot 157:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0864) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= 1.24 (180deg=1.17) USER MOD Single : A 72 MET CE :methyl -148:sc= 0 (180deg=-1.01) USER MOD Single : A 89 MET CE :methyl -178:sc= -0.455 (180deg=-0.464) USER MOD Single : A 92 TYR OH : rot 180:sc= 0.0657 USER MOD Single : A 98 SER OG : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -5.236 16.155 4.052 1.00 0.00 N ATOM 30 CA TYR A 3 -5.942 14.925 3.711 1.00 0.00 C ATOM 31 C TYR A 3 -7.444 15.172 3.664 1.00 0.00 C ATOM 32 O TYR A 3 -7.909 16.269 3.973 1.00 0.00 O ATOM 33 CB TYR A 3 -5.623 13.830 4.735 1.00 0.00 C ATOM 34 CG TYR A 3 -4.145 13.557 4.860 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.356 14.336 5.720 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.563 12.533 4.099 1.00 0.00 C ATOM 37 CE1 TYR A 3 -1.973 14.128 5.777 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.180 12.310 4.158 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.377 13.125 4.985 1.00 0.00 C ATOM 40 OH TYR A 3 -0.026 12.953 5.019 1.00 0.00 O ATOM 0 HA TYR A 3 -5.610 14.596 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.017 14.124 5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.134 12.911 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.815 15.095 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.182 11.914 3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.362 14.736 6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.732 11.520 3.574 1.00 0.00 H new ATOM 0 HH TYR A 3 0.371 13.602 5.637 1.00 0.00 H new ATOM 50 N GLY A 4 -8.197 14.143 3.277 1.00 0.00 N ATOM 51 CA GLY A 4 -9.640 14.236 3.186 1.00 0.00 C ATOM 52 C GLY A 4 -10.271 12.865 2.995 1.00 0.00 C ATOM 53 O GLY A 4 -9.579 11.881 2.739 1.00 0.00 O ATOM 0 H GLY A 4 -7.820 13.230 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.035 14.697 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.913 14.884 2.353 1.00 0.00 H new ATOM 57 N ARG A 5 -11.598 12.813 3.123 1.00 0.00 N ATOM 58 CA ARG A 5 -12.382 11.610 2.913 1.00 0.00 C ATOM 59 C ARG A 5 -12.122 11.027 1.524 1.00 0.00 C ATOM 60 O ARG A 5 -11.896 11.767 0.565 1.00 0.00 O ATOM 61 CB ARG A 5 -13.863 11.932 3.143 1.00 0.00 C ATOM 62 CG ARG A 5 -14.336 13.140 2.326 1.00 0.00 C ATOM 63 CD ARG A 5 -15.715 13.563 2.815 1.00 0.00 C ATOM 64 NE ARG A 5 -16.326 14.539 1.905 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.500 15.136 2.132 1.00 0.00 C ATOM 66 NH1 ARG A 5 -18.197 14.879 3.236 1.00 0.00 N ATOM 67 NH2 ARG A 5 -17.986 16.001 1.245 1.00 0.00 N ATOM 0 H ARG A 5 -12.161 13.624 3.380 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.084 10.844 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.465 11.062 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.029 12.127 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.631 13.964 2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.374 12.886 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.358 12.687 2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.633 13.994 3.813 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.825 14.776 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.837 14.218 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.091 15.343 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.463 16.207 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.882 16.458 1.416 1.00 0.00 H new ATOM 81 N PRO A 6 -12.158 9.695 1.425 1.00 0.00 N ATOM 82 CA PRO A 6 -11.855 8.943 0.221 1.00 0.00 C ATOM 83 C PRO A 6 -12.946 9.101 -0.841 1.00 0.00 C ATOM 84 O PRO A 6 -14.057 9.534 -0.528 1.00 0.00 O ATOM 85 CB PRO A 6 -11.755 7.490 0.688 1.00 0.00 C ATOM 86 CG PRO A 6 -12.670 7.440 1.905 1.00 0.00 C ATOM 87 CD PRO A 6 -12.485 8.821 2.527 1.00 0.00 C ATOM 0 HA PRO A 6 -10.938 9.295 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.081 6.797 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.730 7.221 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.707 7.259 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.384 6.645 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.393 9.149 3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.690 8.813 3.272 1.00 0.00 H new ATOM 95 N PRO A 7 -12.637 8.751 -2.099 1.00 0.00 N ATOM 96 CA PRO A 7 -13.578 8.779 -3.207 1.00 0.00 C ATOM 97 C PRO A 7 -14.872 8.023 -2.898 1.00 0.00 C ATOM 98 O PRO A 7 -14.881 7.110 -2.077 1.00 0.00 O ATOM 99 CB PRO A 7 -12.839 8.136 -4.384 1.00 0.00 C ATOM 100 CG PRO A 7 -11.370 8.385 -4.062 1.00 0.00 C ATOM 101 CD PRO A 7 -11.327 8.301 -2.542 1.00 0.00 C ATOM 0 HA PRO A 7 -13.889 9.801 -3.421 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.058 7.071 -4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.124 8.590 -5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.724 7.639 -4.525 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.039 9.360 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.127 7.282 -2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.536 8.930 -2.135 1.00 0.00 H new ATOM 109 N PRO A 8 -15.976 8.397 -3.560 1.00 0.00 N ATOM 110 CA PRO A 8 -17.280 7.779 -3.396 1.00 0.00 C ATOM 111 C PRO A 8 -17.403 6.463 -4.169 1.00 0.00 C ATOM 112 O PRO A 8 -18.509 5.946 -4.323 1.00 0.00 O ATOM 113 CB PRO A 8 -18.258 8.812 -3.954 1.00 0.00 C ATOM 114 CG PRO A 8 -17.461 9.448 -5.089 1.00 0.00 C ATOM 115 CD PRO A 8 -16.043 9.484 -4.525 1.00 0.00 C ATOM 0 HA PRO A 8 -17.468 7.522 -2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.176 8.348 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.546 9.545 -3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.518 8.858 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.826 10.446 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.304 9.352 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.835 10.443 -4.050 1.00 0.00 H new ATOM 123 N ASP A 9 -16.286 5.911 -4.660 1.00 0.00 N ATOM 124 CA ASP A 9 -16.308 4.732 -5.516 1.00 0.00 C ATOM 125 C ASP A 9 -15.205 3.739 -5.141 1.00 0.00 C ATOM 126 O ASP A 9 -14.832 2.888 -5.944 1.00 0.00 O ATOM 127 CB ASP A 9 -16.216 5.175 -6.976 1.00 0.00 C ATOM 128 CG ASP A 9 -16.551 4.043 -7.945 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.502 3.286 -7.646 1.00 0.00 O ATOM 130 OD2 ASP A 9 -15.854 3.945 -8.979 1.00 0.00 O ATOM 0 H ASP A 9 -15.350 6.271 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.248 4.200 -5.371 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.898 6.009 -7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.209 5.540 -7.180 1.00 0.00 H new ATOM 135 N VAL A 10 -14.673 3.835 -3.917 1.00 0.00 N ATOM 136 CA VAL A 10 -13.662 2.905 -3.415 1.00 0.00 C ATOM 137 C VAL A 10 -14.233 1.498 -3.202 1.00 0.00 C ATOM 138 O VAL A 10 -13.567 0.639 -2.627 1.00 0.00 O ATOM 139 CB VAL A 10 -13.043 3.423 -2.110 1.00 0.00 C ATOM 140 CG1 VAL A 10 -12.311 4.739 -2.357 1.00 0.00 C ATOM 141 CG2 VAL A 10 -14.105 3.611 -1.027 1.00 0.00 C ATOM 0 H VAL A 10 -14.933 4.560 -3.249 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.884 2.839 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.330 2.676 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.877 5.095 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.519 4.583 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.014 5.481 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.634 3.979 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.848 4.332 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.591 2.657 -0.825 1.00 0.00 H new ATOM 151 N GLU A 11 -15.461 1.255 -3.666 1.00 0.00 N ATOM 152 CA GLU A 11 -16.133 -0.034 -3.551 1.00 0.00 C ATOM 153 C GLU A 11 -16.486 -0.560 -4.940 1.00 0.00 C ATOM 154 O GLU A 11 -17.221 -1.536 -5.077 1.00 0.00 O ATOM 155 CB GLU A 11 -17.382 0.109 -2.678 1.00 0.00 C ATOM 156 CG GLU A 11 -17.017 0.685 -1.311 1.00 0.00 C ATOM 157 CD GLU A 11 -18.236 0.741 -0.392 1.00 0.00 C ATOM 158 OE1 GLU A 11 -18.967 1.753 -0.460 1.00 0.00 O ATOM 159 OE2 GLU A 11 -18.426 -0.231 0.371 1.00 0.00 O ATOM 0 H GLU A 11 -16.023 1.963 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.466 -0.753 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.105 0.758 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.859 -0.863 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.240 0.074 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.604 1.686 -1.434 1.00 0.00 H new ATOM 166 N GLY A 12 -15.954 0.099 -5.973 1.00 0.00 N ATOM 167 CA GLY A 12 -16.144 -0.257 -7.368 1.00 0.00 C ATOM 168 C GLY A 12 -14.808 -0.269 -8.114 1.00 0.00 C ATOM 169 O GLY A 12 -14.781 -0.320 -9.343 1.00 0.00 O ATOM 0 H GLY A 12 -15.362 0.920 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.612 -1.239 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.823 0.454 -7.840 1.00 0.00 H new ATOM 173 N MET A 13 -13.700 -0.227 -7.363 1.00 0.00 N ATOM 174 CA MET A 13 -12.341 -0.247 -7.885 1.00 0.00 C ATOM 175 C MET A 13 -11.469 -1.079 -6.948 1.00 0.00 C ATOM 176 O MET A 13 -11.956 -1.599 -5.944 1.00 0.00 O ATOM 177 CB MET A 13 -11.801 1.182 -7.997 1.00 0.00 C ATOM 178 CG MET A 13 -12.651 2.025 -8.945 1.00 0.00 C ATOM 179 SD MET A 13 -11.982 3.678 -9.270 1.00 0.00 S ATOM 180 CE MET A 13 -12.099 4.392 -7.605 1.00 0.00 C ATOM 0 H MET A 13 -13.733 -0.177 -6.345 1.00 0.00 H new ATOM 0 HA MET A 13 -12.330 -0.692 -8.880 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.785 1.645 -7.010 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.771 1.157 -8.354 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.755 1.494 -9.892 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.652 2.126 -8.525 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.879 5.459 -7.650 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.107 4.245 -7.216 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.382 3.901 -6.947 1.00 0.00 H new ATOM 190 N THR A 14 -10.175 -1.208 -7.268 1.00 0.00 N ATOM 191 CA THR A 14 -9.238 -1.959 -6.434 1.00 0.00 C ATOM 192 C THR A 14 -9.209 -1.363 -5.026 1.00 0.00 C ATOM 193 O THR A 14 -9.639 -0.228 -4.816 1.00 0.00 O ATOM 194 CB THR A 14 -7.850 -1.961 -7.082 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.980 -2.185 -8.470 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.955 -3.064 -6.519 1.00 0.00 C ATOM 0 H THR A 14 -9.755 -0.799 -8.103 1.00 0.00 H new ATOM 0 HA THR A 14 -9.565 -2.996 -6.350 1.00 0.00 H new ATOM 0 HB THR A 14 -7.396 -0.993 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.759 -1.363 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.981 -3.027 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.829 -2.918 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.416 -4.035 -6.701 1.00 0.00 H new ATOM 203 N SER A 15 -8.700 -2.123 -4.052 1.00 0.00 N ATOM 204 CA SER A 15 -8.769 -1.740 -2.650 1.00 0.00 C ATOM 205 C SER A 15 -7.582 -2.280 -1.858 1.00 0.00 C ATOM 206 O SER A 15 -7.761 -2.841 -0.779 1.00 0.00 O ATOM 207 CB SER A 15 -10.090 -2.239 -2.064 1.00 0.00 C ATOM 208 OG SER A 15 -10.205 -3.637 -2.223 1.00 0.00 O ATOM 0 H SER A 15 -8.233 -3.014 -4.217 1.00 0.00 H new ATOM 0 HA SER A 15 -8.725 -0.653 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.146 -1.982 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.925 -1.741 -2.558 1.00 0.00 H new ATOM 0 HG SER A 15 -11.055 -3.941 -1.841 1.00 0.00 H new ATOM 214 N LEU A 16 -6.361 -2.127 -2.375 1.00 0.00 N ATOM 215 CA LEU A 16 -5.177 -2.589 -1.666 1.00 0.00 C ATOM 216 C LEU A 16 -5.040 -1.768 -0.394 1.00 0.00 C ATOM 217 O LEU A 16 -5.484 -0.622 -0.379 1.00 0.00 O ATOM 218 CB LEU A 16 -3.945 -2.363 -2.548 1.00 0.00 C ATOM 219 CG LEU A 16 -2.687 -3.043 -1.994 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.776 -4.560 -2.143 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.470 -2.565 -2.781 1.00 0.00 C ATOM 0 H LEU A 16 -6.172 -1.689 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.262 -3.649 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.146 -2.742 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.763 -1.293 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.599 -2.786 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.872 -5.019 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.643 -4.929 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.877 -4.817 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.573 -3.046 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.592 -2.824 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.375 -1.484 -2.682 1.00 0.00 H new ATOM 233 N LYS A 17 -4.439 -2.322 0.660 1.00 0.00 N ATOM 234 CA LYS A 17 -4.068 -1.510 1.803 1.00 0.00 C ATOM 235 C LYS A 17 -2.637 -1.793 2.256 1.00 0.00 C ATOM 236 O LYS A 17 -2.031 -2.767 1.821 1.00 0.00 O ATOM 237 CB LYS A 17 -5.069 -1.655 2.946 1.00 0.00 C ATOM 238 CG LYS A 17 -4.832 -2.870 3.847 1.00 0.00 C ATOM 239 CD LYS A 17 -5.630 -2.664 5.137 1.00 0.00 C ATOM 240 CE LYS A 17 -5.322 -3.754 6.158 1.00 0.00 C ATOM 241 NZ LYS A 17 -3.897 -3.768 6.521 1.00 0.00 N ATOM 0 H LYS A 17 -4.205 -3.312 0.740 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.099 -0.468 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.036 -0.753 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.073 -1.720 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.148 -3.784 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.770 -2.979 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.394 -1.688 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.696 -2.664 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.924 -3.596 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.604 -4.725 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.782 -4.200 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.365 -4.321 5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.534 -2.794 6.541 1.00 0.00 H new ATOM 255 N VAL A 18 -2.103 -0.935 3.129 1.00 0.00 N ATOM 256 CA VAL A 18 -0.732 -1.018 3.616 1.00 0.00 C ATOM 257 C VAL A 18 -0.699 -0.714 5.111 1.00 0.00 C ATOM 258 O VAL A 18 -1.430 0.162 5.571 1.00 0.00 O ATOM 259 CB VAL A 18 0.107 0.024 2.876 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.537 0.041 3.394 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.120 -0.201 1.364 1.00 0.00 C ATOM 0 H VAL A 18 -2.624 -0.151 3.521 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.337 -2.019 3.444 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.364 0.988 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.112 0.791 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.536 0.284 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.989 -0.940 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.730 0.566 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.538 -1.184 1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.898 -0.146 0.979 1.00 0.00 H new ATOM 271 N ASP A 19 0.151 -1.433 5.850 1.00 0.00 N ATOM 272 CA ASP A 19 0.226 -1.366 7.308 1.00 0.00 C ATOM 273 C ASP A 19 1.628 -1.722 7.833 1.00 0.00 C ATOM 274 O ASP A 19 2.560 -1.940 7.058 1.00 0.00 O ATOM 275 CB ASP A 19 -0.819 -2.325 7.894 1.00 0.00 C ATOM 276 CG ASP A 19 -0.559 -3.786 7.541 1.00 0.00 C ATOM 277 OD1 ASP A 19 -0.894 -4.178 6.399 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.029 -4.504 8.417 1.00 0.00 O ATOM 0 H ASP A 19 0.817 -2.089 5.442 1.00 0.00 H new ATOM 0 HA ASP A 19 0.023 -0.342 7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.834 -2.217 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.807 -2.041 7.532 1.00 0.00 H new ATOM 283 N ASN A 20 1.763 -1.781 9.165 1.00 0.00 N ATOM 284 CA ASN A 20 2.988 -2.167 9.873 1.00 0.00 C ATOM 285 C ASN A 20 4.150 -1.178 9.701 1.00 0.00 C ATOM 286 O ASN A 20 5.304 -1.589 9.627 1.00 0.00 O ATOM 287 CB ASN A 20 3.364 -3.612 9.515 1.00 0.00 C ATOM 288 CG ASN A 20 4.079 -4.294 10.675 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.449 -4.963 11.490 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.394 -4.142 10.767 1.00 0.00 N ATOM 0 H ASN A 20 0.997 -1.554 9.799 1.00 0.00 H new ATOM 0 HA ASN A 20 2.773 -2.123 10.941 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.465 -4.172 9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.006 -3.617 8.634 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.907 -4.586 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.892 -3.581 10.076 1.00 0.00 H new ATOM 297 N LEU A 21 3.859 0.125 9.637 1.00 0.00 N ATOM 298 CA LEU A 21 4.871 1.162 9.509 1.00 0.00 C ATOM 299 C LEU A 21 5.792 1.229 10.736 1.00 0.00 C ATOM 300 O LEU A 21 5.633 0.466 11.686 1.00 0.00 O ATOM 301 CB LEU A 21 4.214 2.520 9.229 1.00 0.00 C ATOM 302 CG LEU A 21 3.083 2.939 10.177 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.413 2.778 11.655 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.730 4.407 9.940 1.00 0.00 C ATOM 0 H LEU A 21 2.906 0.486 9.673 1.00 0.00 H new ATOM 0 HA LEU A 21 5.503 0.902 8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.988 3.287 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.820 2.506 8.213 1.00 0.00 H new ATOM 0 HG LEU A 21 2.252 2.271 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.560 3.096 12.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.635 1.732 11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.280 3.390 11.903 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.926 4.701 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.607 5.027 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.405 4.541 8.908 1.00 0.00 H new ATOM 316 N THR A 22 6.758 2.154 10.709 1.00 0.00 N ATOM 317 CA THR A 22 7.696 2.366 11.808 1.00 0.00 C ATOM 318 C THR A 22 7.257 3.527 12.689 1.00 0.00 C ATOM 319 O THR A 22 6.410 4.330 12.295 1.00 0.00 O ATOM 320 CB THR A 22 9.091 2.683 11.263 1.00 0.00 C ATOM 321 OG1 THR A 22 9.097 3.993 10.744 1.00 0.00 O ATOM 322 CG2 THR A 22 9.501 1.711 10.160 1.00 0.00 C ATOM 0 H THR A 22 6.909 2.779 9.917 1.00 0.00 H new ATOM 0 HA THR A 22 7.718 1.449 12.397 1.00 0.00 H new ATOM 0 HB THR A 22 9.803 2.587 12.083 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.493 4.043 9.974 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.497 1.969 9.799 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.510 0.695 10.555 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.789 1.774 9.337 1.00 0.00 H new ATOM 329 N TYR A 23 7.839 3.623 13.890 1.00 0.00 N ATOM 330 CA TYR A 23 7.538 4.704 14.824 1.00 0.00 C ATOM 331 C TYR A 23 8.055 6.058 14.317 1.00 0.00 C ATOM 332 O TYR A 23 7.966 7.052 15.037 1.00 0.00 O ATOM 333 CB TYR A 23 8.111 4.363 16.203 1.00 0.00 C ATOM 334 CG TYR A 23 9.587 4.640 16.363 1.00 0.00 C ATOM 335 CD1 TYR A 23 10.537 3.933 15.608 1.00 0.00 C ATOM 336 CD2 TYR A 23 10.009 5.616 17.278 1.00 0.00 C ATOM 337 CE1 TYR A 23 11.903 4.214 15.761 1.00 0.00 C ATOM 338 CE2 TYR A 23 11.373 5.899 17.437 1.00 0.00 C ATOM 339 CZ TYR A 23 12.327 5.198 16.676 1.00 0.00 C ATOM 340 OH TYR A 23 13.655 5.478 16.827 1.00 0.00 O ATOM 0 H TYR A 23 8.528 2.955 14.237 1.00 0.00 H new ATOM 0 HA TYR A 23 6.455 4.800 14.906 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.566 4.930 16.958 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.930 3.307 16.405 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.216 3.174 14.910 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.278 6.153 17.864 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.632 3.674 15.175 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.691 6.653 18.142 1.00 0.00 H new ATOM 0 HH TYR A 23 13.766 6.183 17.498 1.00 0.00 H new ATOM 350 N ARG A 24 8.590 6.099 13.091 1.00 0.00 N ATOM 351 CA ARG A 24 9.118 7.306 12.466 1.00 0.00 C ATOM 352 C ARG A 24 8.425 7.583 11.133 1.00 0.00 C ATOM 353 O ARG A 24 8.642 8.640 10.541 1.00 0.00 O ATOM 354 CB ARG A 24 10.622 7.136 12.237 1.00 0.00 C ATOM 355 CG ARG A 24 11.412 7.005 13.543 1.00 0.00 C ATOM 356 CD ARG A 24 11.258 8.260 14.404 1.00 0.00 C ATOM 357 NE ARG A 24 12.173 8.219 15.552 1.00 0.00 N ATOM 358 CZ ARG A 24 12.259 9.171 16.484 1.00 0.00 C ATOM 359 NH1 ARG A 24 11.489 10.257 16.424 1.00 0.00 N ATOM 360 NH2 ARG A 24 13.122 9.042 17.488 1.00 0.00 N ATOM 0 H ARG A 24 8.667 5.273 12.497 1.00 0.00 H new ATOM 0 HA ARG A 24 8.932 8.151 13.128 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.793 6.251 11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.998 7.991 11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.063 6.134 14.098 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.466 6.840 13.320 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.461 9.146 13.803 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.229 8.342 14.755 1.00 0.00 H new ATOM 0 HE ARG A 24 12.785 7.408 15.644 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.823 10.369 15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.565 10.977 17.143 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.718 8.216 17.546 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.188 9.769 18.200 1.00 0.00 H new ATOM 374 N THR A 25 7.600 6.646 10.658 1.00 0.00 N ATOM 375 CA THR A 25 6.834 6.825 9.430 1.00 0.00 C ATOM 376 C THR A 25 5.751 7.885 9.649 1.00 0.00 C ATOM 377 O THR A 25 5.448 8.242 10.789 1.00 0.00 O ATOM 378 CB THR A 25 6.227 5.478 9.016 1.00 0.00 C ATOM 379 OG1 THR A 25 7.263 4.539 8.811 1.00 0.00 O ATOM 380 CG2 THR A 25 5.445 5.566 7.708 1.00 0.00 C ATOM 0 H THR A 25 7.447 5.747 11.115 1.00 0.00 H new ATOM 0 HA THR A 25 7.483 7.172 8.626 1.00 0.00 H new ATOM 0 HB THR A 25 5.552 5.181 9.818 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.931 3.802 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.037 4.586 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.630 6.281 7.819 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.109 5.894 6.908 1.00 0.00 H new ATOM 387 N SER A 26 5.167 8.385 8.560 1.00 0.00 N ATOM 388 CA SER A 26 4.126 9.403 8.596 1.00 0.00 C ATOM 389 C SER A 26 3.155 9.164 7.441 1.00 0.00 C ATOM 390 O SER A 26 3.472 8.428 6.507 1.00 0.00 O ATOM 391 CB SER A 26 4.785 10.779 8.463 1.00 0.00 C ATOM 392 OG SER A 26 5.379 10.900 7.186 1.00 0.00 O ATOM 0 H SER A 26 5.410 8.087 7.615 1.00 0.00 H new ATOM 0 HA SER A 26 3.575 9.356 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.042 11.564 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.539 10.909 9.239 1.00 0.00 H new ATOM 0 HG SER A 26 5.646 10.014 6.864 1.00 0.00 H new ATOM 398 N PRO A 27 1.963 9.772 7.463 1.00 0.00 N ATOM 399 CA PRO A 27 1.029 9.648 6.362 1.00 0.00 C ATOM 400 C PRO A 27 1.546 10.397 5.135 1.00 0.00 C ATOM 401 O PRO A 27 1.106 10.119 4.018 1.00 0.00 O ATOM 402 CB PRO A 27 -0.287 10.220 6.887 1.00 0.00 C ATOM 403 CG PRO A 27 0.154 11.229 7.948 1.00 0.00 C ATOM 404 CD PRO A 27 1.426 10.606 8.523 1.00 0.00 C ATOM 0 HA PRO A 27 0.897 8.616 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.861 10.699 6.093 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.920 9.442 7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.348 12.210 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.609 11.365 8.715 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.141 11.374 8.818 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.206 10.016 9.413 1.00 0.00 H new ATOM 412 N ASP A 28 2.476 11.339 5.325 1.00 0.00 N ATOM 413 CA ASP A 28 3.030 12.112 4.222 1.00 0.00 C ATOM 414 C ASP A 28 4.101 11.308 3.496 1.00 0.00 C ATOM 415 O ASP A 28 4.227 11.407 2.274 1.00 0.00 O ATOM 416 CB ASP A 28 3.642 13.404 4.762 1.00 0.00 C ATOM 417 CG ASP A 28 4.131 14.304 3.628 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.266 14.861 2.919 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.368 14.426 3.479 1.00 0.00 O ATOM 0 H ASP A 28 2.859 11.581 6.239 1.00 0.00 H new ATOM 0 HA ASP A 28 2.230 12.348 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.902 13.937 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.474 13.165 5.424 1.00 0.00 H new ATOM 424 N THR A 29 4.878 10.504 4.231 1.00 0.00 N ATOM 425 CA THR A 29 5.856 9.653 3.569 1.00 0.00 C ATOM 426 C THR A 29 5.099 8.638 2.752 1.00 0.00 C ATOM 427 O THR A 29 5.346 8.525 1.559 1.00 0.00 O ATOM 428 CB THR A 29 6.776 8.901 4.535 1.00 0.00 C ATOM 429 OG1 THR A 29 6.122 8.587 5.742 1.00 0.00 O ATOM 430 CG2 THR A 29 8.000 9.751 4.855 1.00 0.00 C ATOM 0 H THR A 29 4.848 10.429 5.248 1.00 0.00 H new ATOM 0 HA THR A 29 6.494 10.298 2.965 1.00 0.00 H new ATOM 0 HB THR A 29 7.071 7.973 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.155 8.547 5.589 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.649 9.209 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.544 9.966 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.683 10.686 5.316 1.00 0.00 H new ATOM 437 N LEU A 30 4.179 7.903 3.378 1.00 0.00 N ATOM 438 CA LEU A 30 3.491 6.831 2.688 1.00 0.00 C ATOM 439 C LEU A 30 2.798 7.341 1.430 1.00 0.00 C ATOM 440 O LEU A 30 2.662 6.593 0.470 1.00 0.00 O ATOM 441 CB LEU A 30 2.499 6.157 3.620 1.00 0.00 C ATOM 442 CG LEU A 30 3.204 5.612 4.861 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.142 5.296 5.907 1.00 0.00 C ATOM 444 CD2 LEU A 30 3.965 4.333 4.526 1.00 0.00 C ATOM 0 H LEU A 30 3.901 8.034 4.351 1.00 0.00 H new ATOM 0 HA LEU A 30 4.231 6.093 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.730 6.870 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.995 5.345 3.096 1.00 0.00 H new ATOM 0 HG LEU A 30 3.913 6.352 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.621 4.904 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.594 6.205 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.451 4.552 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.461 3.959 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.268 3.581 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.711 4.544 3.760 1.00 0.00 H new ATOM 456 N ARG A 31 2.361 8.606 1.410 1.00 0.00 N ATOM 457 CA ARG A 31 1.776 9.170 0.206 1.00 0.00 C ATOM 458 C ARG A 31 2.810 9.199 -0.917 1.00 0.00 C ATOM 459 O ARG A 31 2.498 8.794 -2.033 1.00 0.00 O ATOM 460 CB ARG A 31 1.236 10.573 0.507 1.00 0.00 C ATOM 461 CG ARG A 31 0.881 11.352 -0.761 1.00 0.00 C ATOM 462 CD ARG A 31 -0.147 10.613 -1.610 1.00 0.00 C ATOM 463 NE ARG A 31 -0.245 11.208 -2.945 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.116 12.150 -3.315 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.022 12.631 -2.462 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.077 12.613 -4.559 1.00 0.00 N ATOM 0 H ARG A 31 2.404 9.243 2.205 1.00 0.00 H new ATOM 0 HA ARG A 31 0.945 8.547 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.351 10.490 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.981 11.131 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.490 12.332 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.783 11.521 -1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.132 9.563 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.120 10.645 -1.120 1.00 0.00 H new ATOM 0 HE ARG A 31 0.409 10.874 -3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.059 12.279 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.678 13.351 -2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.388 12.249 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.736 13.333 -4.856 1.00 0.00 H new ATOM 480 N ARG A 32 4.031 9.668 -0.645 1.00 0.00 N ATOM 481 CA ARG A 32 5.027 9.839 -1.701 1.00 0.00 C ATOM 482 C ARG A 32 5.800 8.553 -1.988 1.00 0.00 C ATOM 483 O ARG A 32 6.027 8.210 -3.146 1.00 0.00 O ATOM 484 CB ARG A 32 5.991 10.942 -1.269 1.00 0.00 C ATOM 485 CG ARG A 32 7.040 11.220 -2.343 1.00 0.00 C ATOM 486 CD ARG A 32 7.979 12.319 -1.846 1.00 0.00 C ATOM 487 NE ARG A 32 9.007 12.637 -2.844 1.00 0.00 N ATOM 488 CZ ARG A 32 8.849 13.505 -3.847 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.700 14.164 -4.003 1.00 0.00 N ATOM 490 NH2 ARG A 32 9.844 13.723 -4.699 1.00 0.00 N ATOM 0 H ARG A 32 4.349 9.933 0.287 1.00 0.00 H new ATOM 0 HA ARG A 32 4.512 10.106 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.432 11.854 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.486 10.652 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.604 10.313 -2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.557 11.528 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.403 13.215 -1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.456 12.000 -0.919 1.00 0.00 H new ATOM 0 HE ARG A 32 9.906 12.161 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.930 14.008 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.591 14.824 -4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.729 13.228 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.724 14.386 -5.465 1.00 0.00 H new ATOM 504 N VAL A 33 6.209 7.841 -0.939 1.00 0.00 N ATOM 505 CA VAL A 33 6.989 6.612 -1.049 1.00 0.00 C ATOM 506 C VAL A 33 6.191 5.496 -1.721 1.00 0.00 C ATOM 507 O VAL A 33 6.788 4.560 -2.242 1.00 0.00 O ATOM 508 CB VAL A 33 7.471 6.178 0.341 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.228 7.308 1.046 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.304 5.656 1.156 1.00 0.00 C ATOM 0 H VAL A 33 6.004 8.107 0.024 1.00 0.00 H new ATOM 0 HA VAL A 33 7.855 6.812 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 33 8.184 5.361 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.556 6.968 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.096 7.591 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.571 8.170 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.656 5.350 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.556 6.442 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.859 4.800 0.648 1.00 0.00 H new ATOM 520 N PHE A 34 4.854 5.580 -1.721 1.00 0.00 N ATOM 521 CA PHE A 34 4.016 4.620 -2.432 1.00 0.00 C ATOM 522 C PHE A 34 3.482 5.192 -3.744 1.00 0.00 C ATOM 523 O PHE A 34 3.039 4.435 -4.604 1.00 0.00 O ATOM 524 CB PHE A 34 2.832 4.193 -1.566 1.00 0.00 C ATOM 525 CG PHE A 34 3.165 3.112 -0.562 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.732 3.443 0.674 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.906 1.771 -0.877 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.082 2.427 1.576 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.235 0.757 0.033 1.00 0.00 C ATOM 530 CZ PHE A 34 3.836 1.087 1.252 1.00 0.00 C ATOM 0 H PHE A 34 4.333 6.308 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 34 4.646 3.759 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.451 5.065 -1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.030 3.839 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.900 4.478 0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.452 1.518 -1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.541 2.678 2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.025 -0.275 -0.206 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.111 0.306 1.945 1.00 0.00 H new ATOM 540 N GLU A 35 3.513 6.518 -3.920 1.00 0.00 N ATOM 541 CA GLU A 35 3.039 7.123 -5.153 1.00 0.00 C ATOM 542 C GLU A 35 3.926 6.712 -6.331 1.00 0.00 C ATOM 543 O GLU A 35 3.481 6.730 -7.475 1.00 0.00 O ATOM 544 CB GLU A 35 2.981 8.649 -4.996 1.00 0.00 C ATOM 545 CG GLU A 35 2.598 9.358 -6.290 1.00 0.00 C ATOM 546 CD GLU A 35 2.304 10.835 -6.027 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.184 11.123 -5.544 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.199 11.665 -6.311 1.00 0.00 O ATOM 0 H GLU A 35 3.859 7.181 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 35 2.032 6.764 -5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.259 8.903 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.952 9.013 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.407 9.266 -7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.722 8.879 -6.728 1.00 0.00 H new ATOM 555 N LYS A 36 5.185 6.339 -6.059 1.00 0.00 N ATOM 556 CA LYS A 36 6.125 5.933 -7.100 1.00 0.00 C ATOM 557 C LYS A 36 5.712 4.622 -7.767 1.00 0.00 C ATOM 558 O LYS A 36 6.134 4.331 -8.885 1.00 0.00 O ATOM 559 CB LYS A 36 7.527 5.809 -6.495 1.00 0.00 C ATOM 560 CG LYS A 36 7.669 4.578 -5.599 1.00 0.00 C ATOM 561 CD LYS A 36 9.083 4.454 -5.037 1.00 0.00 C ATOM 562 CE LYS A 36 9.443 5.669 -4.172 1.00 0.00 C ATOM 563 NZ LYS A 36 10.796 5.530 -3.600 1.00 0.00 N ATOM 0 H LYS A 36 5.573 6.312 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 36 6.124 6.698 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.263 5.758 -7.298 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.750 6.705 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.954 4.640 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.423 3.682 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.163 3.544 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.796 4.363 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.390 6.576 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.714 5.776 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.015 6.365 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.836 4.676 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.492 5.451 -4.369 1.00 0.00 H new ATOM 577 N TYR A 37 4.887 3.833 -7.077 1.00 0.00 N ATOM 578 CA TYR A 37 4.376 2.568 -7.589 1.00 0.00 C ATOM 579 C TYR A 37 3.230 2.805 -8.568 1.00 0.00 C ATOM 580 O TYR A 37 2.784 1.873 -9.234 1.00 0.00 O ATOM 581 CB TYR A 37 3.940 1.683 -6.420 1.00 0.00 C ATOM 582 CG TYR A 37 5.110 1.249 -5.578 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.661 2.136 -4.641 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.657 -0.030 -5.741 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.782 1.763 -3.890 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.771 -0.414 -4.985 1.00 0.00 C ATOM 587 CZ TYR A 37 7.348 0.484 -4.068 1.00 0.00 C ATOM 588 OH TYR A 37 8.452 0.118 -3.356 1.00 0.00 O ATOM 0 H TYR A 37 4.554 4.059 -6.140 1.00 0.00 H new ATOM 0 HA TYR A 37 5.167 2.055 -8.136 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.228 2.226 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.423 0.804 -6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.218 3.111 -4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.220 -0.719 -6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.211 2.452 -3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.189 -1.403 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 37 8.710 -0.795 -3.600 1.00 0.00 H new ATOM 598 N GLY A 38 2.751 4.046 -8.654 1.00 0.00 N ATOM 599 CA GLY A 38 1.740 4.436 -9.620 1.00 0.00 C ATOM 600 C GLY A 38 0.982 5.648 -9.106 1.00 0.00 C ATOM 601 O GLY A 38 1.236 6.780 -9.525 1.00 0.00 O ATOM 0 H GLY A 38 3.059 4.808 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.207 4.666 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.050 3.610 -9.793 1.00 0.00 H new ATOM 605 N ARG A 39 0.047 5.392 -8.186 1.00 0.00 N ATOM 606 CA ARG A 39 -0.733 6.405 -7.501 1.00 0.00 C ATOM 607 C ARG A 39 -1.429 5.755 -6.313 1.00 0.00 C ATOM 608 O ARG A 39 -2.201 4.816 -6.489 1.00 0.00 O ATOM 609 CB ARG A 39 -1.754 6.999 -8.481 1.00 0.00 C ATOM 610 CG ARG A 39 -2.671 5.942 -9.113 1.00 0.00 C ATOM 611 CD ARG A 39 -3.471 6.568 -10.253 1.00 0.00 C ATOM 612 NE ARG A 39 -4.185 5.547 -11.034 1.00 0.00 N ATOM 613 CZ ARG A 39 -5.216 5.797 -11.848 1.00 0.00 C ATOM 614 NH1 ARG A 39 -5.703 7.030 -11.981 1.00 0.00 N ATOM 615 NH2 ARG A 39 -5.770 4.806 -12.534 1.00 0.00 N ATOM 0 H ARG A 39 -0.188 4.443 -7.895 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.095 7.211 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.365 7.735 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.223 7.530 -9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.077 5.109 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.348 5.537 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.186 7.283 -9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.800 7.125 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.872 4.580 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.289 7.801 -11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.490 7.203 -12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.409 3.857 -12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.557 4.993 -13.156 1.00 0.00 H new ATOM 629 N VAL A 40 -1.165 6.238 -5.098 1.00 0.00 N ATOM 630 CA VAL A 40 -1.948 5.788 -3.960 1.00 0.00 C ATOM 631 C VAL A 40 -3.381 6.241 -4.240 1.00 0.00 C ATOM 632 O VAL A 40 -3.612 7.400 -4.584 1.00 0.00 O ATOM 633 CB VAL A 40 -1.401 6.319 -2.626 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.123 6.217 -2.582 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.807 7.762 -2.309 1.00 0.00 C ATOM 0 H VAL A 40 -0.437 6.920 -4.885 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.900 4.705 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.853 5.683 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.486 6.599 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.421 5.174 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.551 6.805 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.380 8.058 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.437 8.424 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.894 7.831 -2.258 1.00 0.00 H new ATOM 645 N GLY A 41 -4.353 5.343 -4.103 1.00 0.00 N ATOM 646 CA GLY A 41 -5.746 5.681 -4.342 1.00 0.00 C ATOM 647 C GLY A 41 -6.312 6.415 -3.132 1.00 0.00 C ATOM 648 O GLY A 41 -7.306 7.130 -3.251 1.00 0.00 O ATOM 0 H GLY A 41 -4.197 4.374 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.831 6.306 -5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.322 4.776 -4.532 1.00 0.00 H new ATOM 652 N ASP A 42 -5.671 6.235 -1.974 1.00 0.00 N ATOM 653 CA ASP A 42 -6.043 6.889 -0.732 1.00 0.00 C ATOM 654 C ASP A 42 -4.929 6.701 0.304 1.00 0.00 C ATOM 655 O ASP A 42 -4.007 5.918 0.092 1.00 0.00 O ATOM 656 CB ASP A 42 -7.358 6.290 -0.227 1.00 0.00 C ATOM 657 CG ASP A 42 -7.927 7.082 0.936 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.758 8.319 0.926 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.527 6.441 1.827 1.00 0.00 O ATOM 0 H ASP A 42 -4.865 5.617 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.180 7.957 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.083 6.267 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.193 5.258 0.082 1.00 0.00 H new ATOM 664 N VAL A 43 -5.018 7.424 1.424 1.00 0.00 N ATOM 665 CA VAL A 43 -4.028 7.368 2.491 1.00 0.00 C ATOM 666 C VAL A 43 -4.687 7.738 3.820 1.00 0.00 C ATOM 667 O VAL A 43 -5.341 8.774 3.926 1.00 0.00 O ATOM 668 CB VAL A 43 -2.840 8.279 2.141 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.302 9.673 1.699 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.858 8.385 3.310 1.00 0.00 C ATOM 0 H VAL A 43 -5.786 8.068 1.612 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.636 6.356 2.596 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.323 7.818 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.433 10.286 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.936 9.583 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.866 10.142 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.029 9.036 3.031 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.369 8.800 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.475 7.394 3.554 1.00 0.00 H new ATOM 680 N TYR A 44 -4.515 6.887 4.839 1.00 0.00 N ATOM 681 CA TYR A 44 -5.096 7.118 6.158 1.00 0.00 C ATOM 682 C TYR A 44 -4.260 6.510 7.283 1.00 0.00 C ATOM 683 O TYR A 44 -3.359 5.710 7.040 1.00 0.00 O ATOM 684 CB TYR A 44 -6.526 6.573 6.213 1.00 0.00 C ATOM 685 CG TYR A 44 -7.319 7.230 7.319 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.402 8.629 7.365 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.959 6.462 8.303 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.095 9.269 8.399 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.669 7.089 9.336 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.731 8.497 9.393 1.00 0.00 C ATOM 691 OH TYR A 44 -9.403 9.127 10.394 1.00 0.00 O ATOM 0 H TYR A 44 -3.972 6.026 4.769 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.109 8.197 6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.020 6.744 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.501 5.495 6.371 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.927 9.218 6.595 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.904 5.384 8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.142 10.347 8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.168 6.495 10.087 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.788 8.460 11.000 1.00 0.00 H new ATOM 701 N ILE A 45 -4.572 6.909 8.522 1.00 0.00 N ATOM 702 CA ILE A 45 -4.014 6.360 9.754 1.00 0.00 C ATOM 703 C ILE A 45 -5.161 6.292 10.761 1.00 0.00 C ATOM 704 O ILE A 45 -5.461 7.291 11.416 1.00 0.00 O ATOM 705 CB ILE A 45 -2.844 7.207 10.277 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.634 7.029 9.350 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.466 6.765 11.700 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.425 7.850 9.787 1.00 0.00 C ATOM 0 H ILE A 45 -5.248 7.653 8.696 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.597 5.368 9.579 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.143 8.255 10.298 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.359 5.975 9.319 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.914 7.316 8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.636 7.372 12.061 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.323 6.893 12.361 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.171 5.716 11.689 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.399 7.683 9.093 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.686 8.908 9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.122 7.547 10.789 1.00 0.00 H new ATOM 720 N PRO A 46 -5.802 5.123 10.885 1.00 0.00 N ATOM 721 CA PRO A 46 -6.928 4.855 11.777 1.00 0.00 C ATOM 722 C PRO A 46 -6.674 5.052 13.271 1.00 0.00 C ATOM 723 O PRO A 46 -7.425 4.508 14.082 1.00 0.00 O ATOM 724 CB PRO A 46 -7.294 3.392 11.531 1.00 0.00 C ATOM 725 CG PRO A 46 -6.738 3.087 10.147 1.00 0.00 C ATOM 726 CD PRO A 46 -5.481 3.944 10.105 1.00 0.00 C ATOM 0 HA PRO A 46 -7.710 5.578 11.546 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.856 2.741 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.373 3.241 11.567 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.512 2.028 10.024 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.440 3.357 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.627 3.413 10.526 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.218 4.208 9.081 1.00 0.00 H new ATOM 734 N ARG A 47 -5.645 5.811 13.665 1.00 0.00 N ATOM 735 CA ARG A 47 -5.350 6.017 15.075 1.00 0.00 C ATOM 736 C ARG A 47 -6.587 6.571 15.794 1.00 0.00 C ATOM 737 O ARG A 47 -7.439 7.198 15.164 1.00 0.00 O ATOM 738 CB ARG A 47 -4.117 6.904 15.248 1.00 0.00 C ATOM 739 CG ARG A 47 -4.387 8.353 14.852 1.00 0.00 C ATOM 740 CD ARG A 47 -3.059 9.106 14.784 1.00 0.00 C ATOM 741 NE ARG A 47 -3.273 10.505 14.384 1.00 0.00 N ATOM 742 CZ ARG A 47 -2.388 11.486 14.580 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.226 11.252 15.183 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.668 12.720 14.169 1.00 0.00 N ATOM 0 H ARG A 47 -5.009 6.288 13.026 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.108 5.060 15.538 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.789 6.868 16.287 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.301 6.510 14.643 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.892 8.392 13.887 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.050 8.824 15.577 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.566 9.072 15.756 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.394 8.617 14.072 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.154 10.741 13.928 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.999 10.311 15.504 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.562 12.013 15.324 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.556 12.914 13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.995 13.472 14.317 1.00 0.00 H new ATOM 758 N ASP A 48 -6.687 6.340 17.106 1.00 0.00 N ATOM 759 CA ASP A 48 -7.863 6.710 17.882 1.00 0.00 C ATOM 760 C ASP A 48 -8.291 8.151 17.594 1.00 0.00 C ATOM 761 O ASP A 48 -7.493 9.078 17.729 1.00 0.00 O ATOM 762 CB ASP A 48 -7.579 6.489 19.368 1.00 0.00 C ATOM 763 CG ASP A 48 -8.843 6.680 20.200 1.00 0.00 C ATOM 764 OD1 ASP A 48 -9.313 7.836 20.274 1.00 0.00 O ATOM 765 OD2 ASP A 48 -9.328 5.668 20.755 1.00 0.00 O ATOM 0 H ASP A 48 -5.954 5.892 17.655 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.698 6.074 17.588 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.187 5.484 19.521 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.810 7.186 19.703 1.00 0.00 H new ATOM 770 N ARG A 49 -9.553 8.332 17.192 1.00 0.00 N ATOM 771 CA ARG A 49 -10.071 9.618 16.741 1.00 0.00 C ATOM 772 C ARG A 49 -10.276 10.627 17.876 1.00 0.00 C ATOM 773 O ARG A 49 -10.857 11.686 17.646 1.00 0.00 O ATOM 774 CB ARG A 49 -11.359 9.389 15.942 1.00 0.00 C ATOM 775 CG ARG A 49 -12.523 9.008 16.854 1.00 0.00 C ATOM 776 CD ARG A 49 -13.772 8.696 16.026 1.00 0.00 C ATOM 777 NE ARG A 49 -14.180 9.848 15.212 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.318 10.533 15.367 1.00 0.00 C ATOM 779 NH1 ARG A 49 -16.187 10.218 16.324 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.590 11.548 14.553 1.00 0.00 N ATOM 0 H ARG A 49 -10.245 7.583 17.172 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.318 10.072 16.097 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.610 10.293 15.388 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.197 8.600 15.208 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.252 8.141 17.456 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.733 9.824 17.546 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.576 7.842 15.377 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.588 8.411 16.690 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.547 10.149 14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.991 9.442 16.956 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.050 10.753 16.426 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.932 11.800 13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.456 12.074 14.666 1.00 0.00 H new ATOM 794 N TYR A 50 -9.813 10.318 19.094 1.00 0.00 N ATOM 795 CA TYR A 50 -9.966 11.217 20.235 1.00 0.00 C ATOM 796 C TYR A 50 -8.681 11.330 21.058 1.00 0.00 C ATOM 797 O TYR A 50 -8.545 12.254 21.862 1.00 0.00 O ATOM 798 CB TYR A 50 -11.069 10.721 21.173 1.00 0.00 C ATOM 799 CG TYR A 50 -12.338 10.225 20.527 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.245 11.120 19.944 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.610 8.851 20.534 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.439 10.637 19.387 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.798 8.361 19.980 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.719 9.254 19.405 1.00 0.00 C ATOM 805 OH TYR A 50 -15.877 8.784 18.865 1.00 0.00 O ATOM 0 H TYR A 50 -9.328 9.447 19.311 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.218 12.192 19.819 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.660 9.915 21.782 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.328 11.533 21.852 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.026 12.177 19.923 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.898 8.165 20.970 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.144 11.324 18.944 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.006 7.301 19.994 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.911 7.809 18.961 1.00 0.00 H new ATOM 815 N THR A 51 -7.738 10.400 20.873 1.00 0.00 N ATOM 816 CA THR A 51 -6.532 10.351 21.695 1.00 0.00 C ATOM 817 C THR A 51 -5.294 9.989 20.879 1.00 0.00 C ATOM 818 O THR A 51 -4.202 9.904 21.441 1.00 0.00 O ATOM 819 CB THR A 51 -6.711 9.320 22.815 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.761 8.029 22.255 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.997 9.553 23.611 1.00 0.00 C ATOM 0 H THR A 51 -7.790 9.672 20.160 1.00 0.00 H new ATOM 0 HA THR A 51 -6.383 11.347 22.112 1.00 0.00 H new ATOM 0 HB THR A 51 -5.864 9.423 23.494 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.504 7.369 22.932 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.082 8.799 24.394 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.970 10.544 24.063 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.856 9.482 22.944 1.00 0.00 H new ATOM 828 N LYS A 52 -5.465 9.781 19.566 1.00 0.00 N ATOM 829 CA LYS A 52 -4.428 9.398 18.613 1.00 0.00 C ATOM 830 C LYS A 52 -3.376 8.444 19.189 1.00 0.00 C ATOM 831 O LYS A 52 -2.196 8.540 18.857 1.00 0.00 O ATOM 832 CB LYS A 52 -3.819 10.667 18.003 1.00 0.00 C ATOM 833 CG LYS A 52 -3.276 11.616 19.077 1.00 0.00 C ATOM 834 CD LYS A 52 -2.652 12.846 18.424 1.00 0.00 C ATOM 835 CE LYS A 52 -3.661 13.671 17.622 1.00 0.00 C ATOM 836 NZ LYS A 52 -4.717 14.225 18.488 1.00 0.00 N ATOM 0 H LYS A 52 -6.378 9.882 19.123 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.896 8.812 17.822 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.014 10.392 17.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.575 11.184 17.411 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.081 11.919 19.746 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.533 11.101 19.686 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.208 13.475 19.196 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.843 12.530 17.765 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.144 14.484 17.112 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.112 13.046 16.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.294 14.899 17.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.322 13.453 18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.282 14.714 19.296 1.00 0.00 H new ATOM 850 N GLU A 53 -3.807 7.520 20.053 1.00 0.00 N ATOM 851 CA GLU A 53 -2.912 6.628 20.784 1.00 0.00 C ATOM 852 C GLU A 53 -2.602 5.334 20.022 1.00 0.00 C ATOM 853 O GLU A 53 -2.045 4.402 20.601 1.00 0.00 O ATOM 854 CB GLU A 53 -3.507 6.314 22.160 1.00 0.00 C ATOM 855 CG GLU A 53 -4.757 5.438 22.064 1.00 0.00 C ATOM 856 CD GLU A 53 -5.321 5.138 23.452 1.00 0.00 C ATOM 857 OE1 GLU A 53 -6.084 5.987 23.967 1.00 0.00 O ATOM 858 OE2 GLU A 53 -4.984 4.061 23.993 1.00 0.00 O ATOM 0 H GLU A 53 -4.794 7.372 20.264 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.962 7.149 20.902 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.758 5.810 22.771 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.757 7.246 22.667 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.513 5.941 21.461 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.514 4.505 21.556 1.00 0.00 H new ATOM 865 N SER A 54 -2.955 5.267 18.734 1.00 0.00 N ATOM 866 CA SER A 54 -2.832 4.046 17.942 1.00 0.00 C ATOM 867 C SER A 54 -2.137 4.310 16.609 1.00 0.00 C ATOM 868 O SER A 54 -2.395 3.624 15.623 1.00 0.00 O ATOM 869 CB SER A 54 -4.204 3.410 17.744 1.00 0.00 C ATOM 870 OG SER A 54 -4.794 3.142 19.003 1.00 0.00 O ATOM 0 H SER A 54 -3.333 6.059 18.215 1.00 0.00 H new ATOM 0 HA SER A 54 -2.204 3.343 18.489 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.844 4.077 17.167 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.108 2.487 17.173 1.00 0.00 H new ATOM 0 HG SER A 54 -5.676 2.735 18.871 1.00 0.00 H new ATOM 876 N ARG A 55 -1.249 5.309 16.581 1.00 0.00 N ATOM 877 CA ARG A 55 -0.436 5.667 15.419 1.00 0.00 C ATOM 878 C ARG A 55 0.549 4.545 15.051 1.00 0.00 C ATOM 879 O ARG A 55 1.379 4.711 14.158 1.00 0.00 O ATOM 880 CB ARG A 55 0.313 6.963 15.755 1.00 0.00 C ATOM 881 CG ARG A 55 0.864 7.678 14.518 1.00 0.00 C ATOM 882 CD ARG A 55 1.695 8.878 14.968 1.00 0.00 C ATOM 883 NE ARG A 55 2.221 9.638 13.829 1.00 0.00 N ATOM 884 CZ ARG A 55 3.265 9.264 13.081 1.00 0.00 C ATOM 885 NH1 ARG A 55 3.900 8.117 13.301 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.685 10.045 12.093 1.00 0.00 N ATOM 0 H ARG A 55 -1.073 5.906 17.389 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.079 5.812 14.551 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.359 7.636 16.287 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.136 6.734 16.432 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.477 6.995 13.930 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.046 8.006 13.876 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.082 9.532 15.588 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.523 8.534 15.588 1.00 0.00 H new ATOM 0 HE ARG A 55 1.757 10.515 13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.593 7.501 14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.694 7.853 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.212 10.929 11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.481 9.761 11.522 1.00 0.00 H new ATOM 900 N GLY A 56 0.462 3.400 15.735 1.00 0.00 N ATOM 901 CA GLY A 56 1.358 2.267 15.550 1.00 0.00 C ATOM 902 C GLY A 56 1.242 1.609 14.176 1.00 0.00 C ATOM 903 O GLY A 56 2.009 0.700 13.871 1.00 0.00 O ATOM 0 H GLY A 56 -0.250 3.237 16.447 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.385 2.600 15.698 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.151 1.522 16.318 1.00 0.00 H new ATOM 907 N PHE A 57 0.296 2.053 13.340 1.00 0.00 N ATOM 908 CA PHE A 57 0.129 1.527 11.995 1.00 0.00 C ATOM 909 C PHE A 57 -0.544 2.560 11.096 1.00 0.00 C ATOM 910 O PHE A 57 -0.807 3.683 11.516 1.00 0.00 O ATOM 911 CB PHE A 57 -0.668 0.226 12.048 1.00 0.00 C ATOM 912 CG PHE A 57 -2.138 0.445 12.299 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.593 0.831 13.565 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.047 0.271 11.245 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.963 1.029 13.780 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.413 0.492 11.454 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.872 0.855 12.728 1.00 0.00 C ATOM 0 H PHE A 57 -0.370 2.786 13.584 1.00 0.00 H new ATOM 0 HA PHE A 57 1.108 1.312 11.567 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.542 -0.309 11.107 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.262 -0.411 12.834 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.891 0.976 14.373 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.692 -0.034 10.271 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.319 1.316 14.758 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.111 0.383 10.637 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.928 1.001 12.899 1.00 0.00 H new ATOM 927 N ALA A 58 -0.822 2.169 9.850 1.00 0.00 N ATOM 928 CA ALA A 58 -1.427 3.046 8.864 1.00 0.00 C ATOM 929 C ALA A 58 -2.343 2.260 7.933 1.00 0.00 C ATOM 930 O ALA A 58 -2.487 1.047 8.074 1.00 0.00 O ATOM 931 CB ALA A 58 -0.318 3.736 8.067 1.00 0.00 C ATOM 0 H ALA A 58 -0.630 1.229 9.502 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.033 3.796 9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.762 4.397 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.308 4.319 8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.292 2.984 7.566 1.00 0.00 H new ATOM 937 N PHE A 59 -2.961 2.968 6.986 1.00 0.00 N ATOM 938 CA PHE A 59 -3.872 2.390 6.017 1.00 0.00 C ATOM 939 C PHE A 59 -3.742 3.139 4.690 1.00 0.00 C ATOM 940 O PHE A 59 -4.628 3.914 4.327 1.00 0.00 O ATOM 941 CB PHE A 59 -5.296 2.446 6.581 1.00 0.00 C ATOM 942 CG PHE A 59 -6.315 1.558 5.896 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.213 1.244 4.528 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.379 1.035 6.646 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.153 0.400 3.925 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.321 0.200 6.037 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.205 -0.132 4.681 1.00 0.00 C ATOM 0 H PHE A 59 -2.836 3.974 6.875 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.628 1.345 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.259 2.176 7.636 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.647 3.477 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.406 1.656 3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.471 1.277 7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.067 0.159 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.144 -0.192 6.616 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.923 -0.795 4.221 1.00 0.00 H new ATOM 957 N VAL A 60 -2.644 2.917 3.961 1.00 0.00 N ATOM 958 CA VAL A 60 -2.525 3.450 2.603 1.00 0.00 C ATOM 959 C VAL A 60 -3.394 2.579 1.703 1.00 0.00 C ATOM 960 O VAL A 60 -3.798 1.502 2.132 1.00 0.00 O ATOM 961 CB VAL A 60 -1.076 3.409 2.105 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.892 4.317 0.888 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.100 3.835 3.197 1.00 0.00 C ATOM 0 H VAL A 60 -1.838 2.381 4.282 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.843 4.492 2.589 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.864 2.377 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.144 4.271 0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.548 3.985 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.140 5.343 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.918 3.795 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.328 4.853 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.192 3.162 4.050 1.00 0.00 H new ATOM 973 N ARG A 61 -3.697 3.006 0.474 1.00 0.00 N ATOM 974 CA ARG A 61 -4.476 2.181 -0.440 1.00 0.00 C ATOM 975 C ARG A 61 -4.186 2.512 -1.899 1.00 0.00 C ATOM 976 O ARG A 61 -3.674 3.585 -2.210 1.00 0.00 O ATOM 977 CB ARG A 61 -5.968 2.356 -0.105 1.00 0.00 C ATOM 978 CG ARG A 61 -6.913 2.017 -1.265 1.00 0.00 C ATOM 979 CD ARG A 61 -8.366 1.920 -0.811 1.00 0.00 C ATOM 980 NE ARG A 61 -8.727 3.023 0.087 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.087 2.850 1.359 1.00 0.00 C ATOM 982 NH1 ARG A 61 -9.208 1.629 1.873 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.334 3.891 2.140 1.00 0.00 N ATOM 0 H ARG A 61 -3.416 3.911 0.096 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.192 1.137 -0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.215 1.723 0.748 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.142 3.387 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.825 2.780 -2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.610 1.071 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.021 1.930 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.526 0.969 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.701 3.974 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.025 0.811 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.484 1.511 2.848 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.250 4.838 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.609 3.746 3.112 1.00 0.00 H new ATOM 997 N PHE A 62 -4.522 1.565 -2.782 1.00 0.00 N ATOM 998 CA PHE A 62 -4.509 1.745 -4.228 1.00 0.00 C ATOM 999 C PHE A 62 -5.861 1.357 -4.814 1.00 0.00 C ATOM 1000 O PHE A 62 -6.614 0.593 -4.206 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.408 0.897 -4.862 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.018 1.309 -4.462 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.561 1.039 -3.166 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.184 1.962 -5.382 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.266 1.404 -2.789 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.117 2.316 -5.009 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.578 2.028 -3.720 1.00 0.00 C ATOM 0 H PHE A 62 -4.817 0.631 -2.498 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.312 2.795 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.561 -0.146 -4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.496 0.956 -5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.211 0.548 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.545 2.190 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.083 1.207 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.766 2.812 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.588 2.287 -3.440 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.154 1.884 -6.005 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.452 1.728 -6.653 1.00 0.00 C ATOM 1019 C HIS A 63 -7.300 1.326 -8.119 1.00 0.00 C ATOM 1020 O HIS A 63 -8.255 1.366 -8.891 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.253 3.020 -6.503 1.00 0.00 C ATOM 1022 CG HIS A 63 -7.809 4.124 -7.430 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -8.628 4.753 -8.371 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -6.557 4.672 -7.487 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -7.852 5.662 -8.975 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -6.607 5.638 -8.464 1.00 0.00 N ATOM 0 H HIS A 63 -5.490 2.435 -6.549 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.996 0.920 -6.164 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.306 2.807 -6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.173 3.369 -5.473 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.612 4.560 -8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.702 4.401 -6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.180 6.323 -9.763 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.084 0.929 -8.491 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.769 0.437 -9.817 1.00 0.00 C ATOM 1036 C ASP A 64 -4.988 -0.860 -9.652 1.00 0.00 C ATOM 1037 O ASP A 64 -3.962 -0.900 -8.970 1.00 0.00 O ATOM 1038 CB ASP A 64 -4.978 1.497 -10.580 1.00 0.00 C ATOM 1039 CG ASP A 64 -4.916 1.199 -12.077 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.929 0.002 -12.437 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -4.858 2.186 -12.844 1.00 0.00 O ATOM 0 H ASP A 64 -5.281 0.943 -7.863 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.670 0.235 -10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.436 2.474 -10.424 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.966 1.552 -10.179 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.485 -1.928 -10.275 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.999 -3.272 -10.010 1.00 0.00 C ATOM 1048 C LYS A 65 -3.553 -3.507 -10.440 1.00 0.00 C ATOM 1049 O LYS A 65 -2.885 -4.351 -9.846 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.961 -4.292 -10.623 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.923 -4.346 -12.157 1.00 0.00 C ATOM 1052 CD LYS A 65 -4.915 -5.376 -12.679 1.00 0.00 C ATOM 1053 CE LYS A 65 -5.325 -6.786 -12.252 1.00 0.00 C ATOM 1054 NZ LYS A 65 -4.361 -7.791 -12.731 1.00 0.00 N ATOM 0 H LYS A 65 -6.229 -1.882 -10.971 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.979 -3.402 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.725 -5.281 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.976 -4.056 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.916 -4.590 -12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.667 -3.361 -12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.858 -5.320 -13.766 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.920 -5.148 -12.296 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.394 -6.834 -11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.316 -7.013 -12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.834 -8.713 -12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.994 -7.504 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.573 -7.866 -12.056 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.045 -2.788 -11.445 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.673 -3.014 -11.890 1.00 0.00 C ATOM 1070 C ARG A 66 -0.677 -2.407 -10.901 1.00 0.00 C ATOM 1071 O ARG A 66 0.367 -3.001 -10.629 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.486 -2.448 -13.298 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.616 -0.921 -13.330 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.613 -0.418 -14.773 1.00 0.00 C ATOM 1075 NE ARG A 66 -0.355 -0.759 -15.447 1.00 0.00 N ATOM 1076 CZ ARG A 66 -0.048 -0.382 -16.689 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -0.892 0.359 -17.406 1.00 0.00 N ATOM 1078 NH2 ARG A 66 1.114 -0.744 -17.226 1.00 0.00 N ATOM 0 H ARG A 66 -3.551 -2.062 -11.953 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.480 -4.086 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.505 -2.735 -13.676 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.226 -2.888 -13.966 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.538 -0.617 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.793 -0.468 -12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.451 -0.856 -15.316 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.755 0.663 -14.785 1.00 0.00 H new ATOM 0 HE ARG A 66 0.326 -1.319 -14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.786 0.645 -17.006 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.644 0.640 -18.355 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.770 -1.310 -16.688 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.349 -0.456 -18.176 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.004 -1.229 -10.364 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.142 -0.564 -9.404 1.00 0.00 C ATOM 1094 C ASP A 67 -0.252 -1.250 -8.048 1.00 0.00 C ATOM 1095 O ASP A 67 0.686 -1.213 -7.261 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.562 0.905 -9.276 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.482 1.649 -10.608 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.470 1.386 -11.377 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.380 2.486 -10.849 1.00 0.00 O ATOM 0 H ASP A 67 -1.862 -0.722 -10.583 1.00 0.00 H new ATOM 0 HA ASP A 67 0.891 -0.619 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.582 0.957 -8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.078 1.401 -8.546 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.401 -1.879 -7.780 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.637 -2.566 -6.525 1.00 0.00 C ATOM 1106 C ALA A 68 -0.872 -3.886 -6.455 1.00 0.00 C ATOM 1107 O ALA A 68 -0.326 -4.229 -5.408 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.135 -2.827 -6.384 1.00 0.00 C ATOM 0 H ALA A 68 -2.186 -1.921 -8.431 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.281 -1.936 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.327 -3.344 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.672 -1.879 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.476 -3.445 -7.214 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.819 -4.637 -7.559 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.114 -5.908 -7.558 1.00 0.00 C ATOM 1116 C GLU A 69 1.392 -5.693 -7.470 1.00 0.00 C ATOM 1117 O GLU A 69 2.095 -6.524 -6.899 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.461 -6.719 -8.806 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.897 -7.250 -8.729 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.252 -8.076 -9.966 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -2.161 -7.523 -11.088 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.614 -9.259 -9.783 1.00 0.00 O ATOM 0 H GLU A 69 -1.251 -4.387 -8.449 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.433 -6.469 -6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.346 -6.096 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.234 -7.552 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.013 -7.862 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.591 -6.415 -8.635 1.00 0.00 H new ATOM 1129 N ASP A 70 1.905 -4.589 -8.023 1.00 0.00 N ATOM 1130 CA ASP A 70 3.323 -4.279 -7.886 1.00 0.00 C ATOM 1131 C ASP A 70 3.630 -3.760 -6.484 1.00 0.00 C ATOM 1132 O ASP A 70 4.676 -4.084 -5.914 1.00 0.00 O ATOM 1133 CB ASP A 70 3.712 -3.205 -8.898 1.00 0.00 C ATOM 1134 CG ASP A 70 3.733 -3.729 -10.334 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.874 -4.960 -10.512 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.608 -2.888 -11.252 1.00 0.00 O ATOM 0 H ASP A 70 1.367 -3.909 -8.560 1.00 0.00 H new ATOM 0 HA ASP A 70 3.891 -5.192 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.009 -2.374 -8.829 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.696 -2.812 -8.644 1.00 0.00 H new ATOM 1141 N ALA A 71 2.726 -2.954 -5.918 1.00 0.00 N ATOM 1142 CA ALA A 71 2.947 -2.367 -4.609 1.00 0.00 C ATOM 1143 C ALA A 71 3.149 -3.447 -3.549 1.00 0.00 C ATOM 1144 O ALA A 71 3.927 -3.241 -2.621 1.00 0.00 O ATOM 1145 CB ALA A 71 1.769 -1.467 -4.246 1.00 0.00 C ATOM 0 H ALA A 71 1.839 -2.699 -6.351 1.00 0.00 H new ATOM 0 HA ALA A 71 3.856 -1.767 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.937 -1.027 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.675 -0.673 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.853 -2.057 -4.228 1.00 0.00 H new ATOM 1151 N MET A 72 2.460 -4.590 -3.667 1.00 0.00 N ATOM 1152 CA MET A 72 2.623 -5.644 -2.675 1.00 0.00 C ATOM 1153 C MET A 72 3.763 -6.585 -3.058 1.00 0.00 C ATOM 1154 O MET A 72 4.380 -7.185 -2.183 1.00 0.00 O ATOM 1155 CB MET A 72 1.312 -6.416 -2.485 1.00 0.00 C ATOM 1156 CG MET A 72 1.053 -7.296 -3.700 1.00 0.00 C ATOM 1157 SD MET A 72 -0.587 -8.051 -3.776 1.00 0.00 S ATOM 1158 CE MET A 72 -0.349 -9.015 -5.291 1.00 0.00 C ATOM 0 H MET A 72 1.804 -4.799 -4.419 1.00 0.00 H new ATOM 0 HA MET A 72 2.882 -5.178 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.367 -7.029 -1.585 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.485 -5.719 -2.346 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.201 -6.697 -4.599 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.801 -8.089 -3.719 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.295 -9.091 -5.826 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.388 -8.521 -5.925 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.004 -10.014 -5.035 1.00 0.00 H new ATOM 1168 N ASP A 73 4.044 -6.720 -4.354 1.00 0.00 N ATOM 1169 CA ASP A 73 5.132 -7.564 -4.827 1.00 0.00 C ATOM 1170 C ASP A 73 6.495 -6.955 -4.483 1.00 0.00 C ATOM 1171 O ASP A 73 7.522 -7.612 -4.661 1.00 0.00 O ATOM 1172 CB ASP A 73 4.983 -7.773 -6.336 1.00 0.00 C ATOM 1173 CG ASP A 73 6.039 -8.733 -6.887 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.047 -9.904 -6.451 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.833 -8.283 -7.747 1.00 0.00 O ATOM 0 H ASP A 73 3.527 -6.250 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 73 5.080 -8.530 -4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.989 -8.165 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.065 -6.813 -6.845 1.00 0.00 H new ATOM 1180 N ALA A 74 6.523 -5.710 -3.994 1.00 0.00 N ATOM 1181 CA ALA A 74 7.772 -5.032 -3.669 1.00 0.00 C ATOM 1182 C ALA A 74 7.784 -4.373 -2.285 1.00 0.00 C ATOM 1183 O ALA A 74 8.836 -3.904 -1.850 1.00 0.00 O ATOM 1184 CB ALA A 74 8.014 -3.991 -4.749 1.00 0.00 C ATOM 0 H ALA A 74 5.687 -5.153 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 74 8.565 -5.779 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.943 -3.460 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.087 -4.483 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.186 -3.282 -4.763 1.00 0.00 H new ATOM 1190 N MET A 75 6.646 -4.335 -1.583 1.00 0.00 N ATOM 1191 CA MET A 75 6.608 -3.836 -0.208 1.00 0.00 C ATOM 1192 C MET A 75 6.214 -4.917 0.792 1.00 0.00 C ATOM 1193 O MET A 75 6.572 -4.798 1.961 1.00 0.00 O ATOM 1194 CB MET A 75 5.611 -2.685 -0.073 1.00 0.00 C ATOM 1195 CG MET A 75 6.051 -1.395 -0.764 1.00 0.00 C ATOM 1196 SD MET A 75 6.941 -0.250 0.323 1.00 0.00 S ATOM 1197 CE MET A 75 6.754 1.271 -0.646 1.00 0.00 C ATOM 0 H MET A 75 5.743 -4.643 -1.945 1.00 0.00 H new ATOM 0 HA MET A 75 7.619 -3.496 0.015 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.653 -2.998 -0.487 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.449 -2.481 0.985 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.689 -1.647 -1.611 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.172 -0.891 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.559 2.108 0.025 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.670 1.461 -1.206 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.921 1.160 -1.340 1.00 0.00 H new ATOM 1207 N ASP A 76 5.492 -5.971 0.388 1.00 0.00 N ATOM 1208 CA ASP A 76 5.149 -7.011 1.345 1.00 0.00 C ATOM 1209 C ASP A 76 6.411 -7.729 1.817 1.00 0.00 C ATOM 1210 O ASP A 76 7.192 -8.225 1.007 1.00 0.00 O ATOM 1211 CB ASP A 76 4.175 -8.020 0.736 1.00 0.00 C ATOM 1212 CG ASP A 76 3.746 -9.052 1.780 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.409 -8.628 2.911 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.757 -10.256 1.442 1.00 0.00 O ATOM 0 H ASP A 76 5.148 -6.117 -0.561 1.00 0.00 H new ATOM 0 HA ASP A 76 4.663 -6.537 2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.299 -7.500 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.645 -8.523 -0.109 1.00 0.00 H new ATOM 1219 N GLY A 77 6.605 -7.785 3.137 1.00 0.00 N ATOM 1220 CA GLY A 77 7.725 -8.489 3.743 1.00 0.00 C ATOM 1221 C GLY A 77 9.007 -7.655 3.740 1.00 0.00 C ATOM 1222 O GLY A 77 10.046 -8.145 4.179 1.00 0.00 O ATOM 0 H GLY A 77 5.984 -7.340 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.471 -8.756 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.899 -9.421 3.205 1.00 0.00 H new ATOM 1226 N ALA A 78 8.949 -6.411 3.254 1.00 0.00 N ATOM 1227 CA ALA A 78 10.091 -5.513 3.239 1.00 0.00 C ATOM 1228 C ALA A 78 10.457 -5.079 4.660 1.00 0.00 C ATOM 1229 O ALA A 78 9.811 -5.480 5.631 1.00 0.00 O ATOM 1230 CB ALA A 78 9.766 -4.309 2.351 1.00 0.00 C ATOM 0 H ALA A 78 8.101 -6.004 2.860 1.00 0.00 H new ATOM 0 HA ALA A 78 10.959 -6.030 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.618 -3.629 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.554 -4.651 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.895 -3.789 2.748 1.00 0.00 H new ATOM 1236 N VAL A 79 11.494 -4.245 4.780 1.00 0.00 N ATOM 1237 CA VAL A 79 12.013 -3.807 6.068 1.00 0.00 C ATOM 1238 C VAL A 79 12.307 -2.318 6.052 1.00 0.00 C ATOM 1239 O VAL A 79 12.774 -1.765 5.057 1.00 0.00 O ATOM 1240 CB VAL A 79 13.298 -4.581 6.407 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.993 -4.022 7.650 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.976 -6.059 6.642 1.00 0.00 C ATOM 0 H VAL A 79 11.995 -3.856 3.981 1.00 0.00 H new ATOM 0 HA VAL A 79 11.256 -4.006 6.827 1.00 0.00 H new ATOM 0 HB VAL A 79 13.972 -4.471 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.896 -4.599 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.259 -2.979 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.320 -4.090 8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.893 -6.598 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.274 -6.151 7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.531 -6.482 5.741 1.00 0.00 H new ATOM 1252 N LEU A 80 12.025 -1.680 7.188 1.00 0.00 N ATOM 1253 CA LEU A 80 12.401 -0.313 7.483 1.00 0.00 C ATOM 1254 C LEU A 80 12.544 -0.232 8.998 1.00 0.00 C ATOM 1255 O LEU A 80 11.776 -0.863 9.719 1.00 0.00 O ATOM 1256 CB LEU A 80 11.323 0.645 6.963 1.00 0.00 C ATOM 1257 CG LEU A 80 11.703 2.118 7.157 1.00 0.00 C ATOM 1258 CD1 LEU A 80 12.956 2.483 6.364 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.547 2.994 6.677 1.00 0.00 C ATOM 0 H LEU A 80 11.510 -2.123 7.949 1.00 0.00 H new ATOM 0 HA LEU A 80 13.335 -0.027 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.152 0.454 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.384 0.444 7.479 1.00 0.00 H new ATOM 0 HG LEU A 80 11.906 2.281 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 13.195 3.534 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.790 1.865 6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.778 2.310 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.807 4.044 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.356 2.799 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.652 2.765 7.256 1.00 0.00 H new ATOM 1271 N ASP A 81 13.524 0.536 9.471 1.00 0.00 N ATOM 1272 CA ASP A 81 13.874 0.686 10.881 1.00 0.00 C ATOM 1273 C ASP A 81 14.248 -0.646 11.556 1.00 0.00 C ATOM 1274 O ASP A 81 14.639 -0.660 12.723 1.00 0.00 O ATOM 1275 CB ASP A 81 12.740 1.417 11.604 1.00 0.00 C ATOM 1276 CG ASP A 81 13.099 1.744 13.052 1.00 0.00 C ATOM 1277 OD1 ASP A 81 14.075 2.505 13.243 1.00 0.00 O ATOM 1278 OD2 ASP A 81 12.398 1.230 13.953 1.00 0.00 O ATOM 0 H ASP A 81 14.119 1.093 8.857 1.00 0.00 H new ATOM 0 HA ASP A 81 14.780 1.288 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.506 2.339 11.072 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.841 0.801 11.584 1.00 0.00 H new ATOM 1283 N GLY A 82 14.136 -1.764 10.834 1.00 0.00 N ATOM 1284 CA GLY A 82 14.515 -3.073 11.341 1.00 0.00 C ATOM 1285 C GLY A 82 13.286 -3.935 11.602 1.00 0.00 C ATOM 1286 O GLY A 82 13.423 -5.090 12.001 1.00 0.00 O ATOM 0 H GLY A 82 13.778 -1.780 9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.166 -3.570 10.622 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.086 -2.959 12.263 1.00 0.00 H new ATOM 1290 N ARG A 83 12.091 -3.381 11.382 1.00 0.00 N ATOM 1291 CA ARG A 83 10.838 -4.104 11.529 1.00 0.00 C ATOM 1292 C ARG A 83 10.359 -4.584 10.168 1.00 0.00 C ATOM 1293 O ARG A 83 11.128 -4.624 9.214 1.00 0.00 O ATOM 1294 CB ARG A 83 9.799 -3.232 12.241 1.00 0.00 C ATOM 1295 CG ARG A 83 9.413 -1.987 11.436 1.00 0.00 C ATOM 1296 CD ARG A 83 8.253 -1.262 12.127 1.00 0.00 C ATOM 1297 NE ARG A 83 8.644 -0.812 13.470 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.792 -0.435 14.430 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.483 -0.386 14.206 1.00 0.00 N ATOM 1300 NH2 ARG A 83 8.258 -0.101 15.631 1.00 0.00 N ATOM 0 H ARG A 83 11.971 -2.410 11.095 1.00 0.00 H new ATOM 0 HA ARG A 83 10.992 -4.985 12.152 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.905 -3.825 12.434 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.193 -2.924 13.210 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.270 -1.320 11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.125 -2.272 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.945 -0.406 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.393 -1.928 12.198 1.00 0.00 H new ATOM 0 HE ARG A 83 9.640 -0.785 13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.113 -0.638 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.849 -0.096 14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.261 -0.133 15.816 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.613 0.187 16.366 1.00 0.00 H new ATOM 1314 N GLU A 84 9.089 -4.947 10.077 1.00 0.00 N ATOM 1315 CA GLU A 84 8.505 -5.501 8.871 1.00 0.00 C ATOM 1316 C GLU A 84 7.602 -4.457 8.233 1.00 0.00 C ATOM 1317 O GLU A 84 7.283 -3.449 8.857 1.00 0.00 O ATOM 1318 CB GLU A 84 7.685 -6.742 9.223 1.00 0.00 C ATOM 1319 CG GLU A 84 8.600 -7.882 9.662 1.00 0.00 C ATOM 1320 CD GLU A 84 7.792 -9.127 10.031 1.00 0.00 C ATOM 1321 OE1 GLU A 84 6.890 -9.492 9.246 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.086 -9.707 11.103 1.00 0.00 O ATOM 0 H GLU A 84 8.429 -4.863 10.850 1.00 0.00 H new ATOM 0 HA GLU A 84 9.295 -5.780 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.981 -6.505 10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.096 -7.053 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.297 -8.122 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.196 -7.565 10.518 1.00 0.00 H new ATOM 1329 N LEU A 85 7.193 -4.707 6.992 1.00 0.00 N ATOM 1330 CA LEU A 85 6.268 -3.852 6.267 1.00 0.00 C ATOM 1331 C LEU A 85 5.246 -4.768 5.612 1.00 0.00 C ATOM 1332 O LEU A 85 5.577 -5.884 5.213 1.00 0.00 O ATOM 1333 CB LEU A 85 7.023 -3.026 5.219 1.00 0.00 C ATOM 1334 CG LEU A 85 8.075 -2.103 5.838 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.814 -1.371 4.720 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.438 -1.056 6.750 1.00 0.00 C ATOM 0 H LEU A 85 7.501 -5.520 6.458 1.00 0.00 H new ATOM 0 HA LEU A 85 5.773 -3.146 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.508 -3.700 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.310 -2.428 4.652 1.00 0.00 H new ATOM 0 HG LEU A 85 8.754 -2.718 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.566 -0.711 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.300 -2.097 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.104 -0.782 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.216 -0.419 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.742 -0.446 6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.901 -1.555 7.557 1.00 0.00 H new ATOM 1348 N ARG A 86 3.997 -4.303 5.501 1.00 0.00 N ATOM 1349 CA ARG A 86 2.906 -5.156 5.062 1.00 0.00 C ATOM 1350 C ARG A 86 1.967 -4.409 4.130 1.00 0.00 C ATOM 1351 O ARG A 86 1.762 -3.206 4.260 1.00 0.00 O ATOM 1352 CB ARG A 86 2.162 -5.668 6.304 1.00 0.00 C ATOM 1353 CG ARG A 86 2.992 -6.701 7.077 1.00 0.00 C ATOM 1354 CD ARG A 86 3.273 -7.954 6.241 1.00 0.00 C ATOM 1355 NE ARG A 86 4.240 -8.830 6.905 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.866 -9.838 6.293 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.615 -10.120 5.015 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.753 -10.571 6.961 1.00 0.00 N ATOM 0 H ARG A 86 3.725 -3.343 5.710 1.00 0.00 H new ATOM 0 HA ARG A 86 3.304 -6.000 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.925 -4.829 6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.215 -6.115 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.936 -6.251 7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.463 -6.984 7.987 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.343 -8.497 6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.655 -7.663 5.262 1.00 0.00 H new ATOM 0 HE ARG A 86 4.447 -8.661 7.889 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.938 -9.563 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.100 -10.893 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.954 -10.362 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.232 -11.341 6.495 1.00 0.00 H new ATOM 1372 N VAL A 87 1.400 -5.157 3.185 1.00 0.00 N ATOM 1373 CA VAL A 87 0.502 -4.635 2.171 1.00 0.00 C ATOM 1374 C VAL A 87 -0.268 -5.808 1.560 1.00 0.00 C ATOM 1375 O VAL A 87 0.331 -6.816 1.184 1.00 0.00 O ATOM 1376 CB VAL A 87 1.326 -3.882 1.125 1.00 0.00 C ATOM 1377 CG1 VAL A 87 2.549 -4.684 0.698 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.510 -3.557 -0.123 1.00 0.00 C ATOM 0 H VAL A 87 1.559 -6.161 3.106 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.219 -3.936 2.595 1.00 0.00 H new ATOM 0 HB VAL A 87 1.638 -2.953 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.112 -4.120 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.181 -4.873 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.230 -5.633 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.136 -3.022 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.152 -4.482 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.341 -2.934 0.151 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.590 -5.674 1.460 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.453 -6.721 0.930 1.00 0.00 C ATOM 1390 C GLN A 88 -3.843 -6.160 0.645 1.00 0.00 C ATOM 1391 O GLN A 88 -4.159 -5.049 1.061 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.535 -7.885 1.931 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.265 -7.544 3.243 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.618 -6.411 4.034 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -3.221 -5.361 4.222 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -1.388 -6.595 4.509 1.00 0.00 N ATOM 0 H GLN A 88 -2.091 -4.833 1.746 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.033 -7.093 -0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.043 -8.723 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.524 -8.217 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.295 -7.272 3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.302 -8.436 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.903 -7.477 4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.930 -5.854 5.041 1.00 0.00 H new ATOM 1405 N MET A 89 -4.684 -6.913 -0.070 1.00 0.00 N ATOM 1406 CA MET A 89 -6.013 -6.447 -0.451 1.00 0.00 C ATOM 1407 C MET A 89 -6.902 -6.274 0.784 1.00 0.00 C ATOM 1408 O MET A 89 -6.798 -7.045 1.742 1.00 0.00 O ATOM 1409 CB MET A 89 -6.640 -7.436 -1.435 1.00 0.00 C ATOM 1410 CG MET A 89 -5.769 -7.584 -2.680 1.00 0.00 C ATOM 1411 SD MET A 89 -5.539 -6.050 -3.612 1.00 0.00 S ATOM 1412 CE MET A 89 -4.184 -6.569 -4.703 1.00 0.00 C ATOM 0 H MET A 89 -4.462 -7.854 -0.397 1.00 0.00 H new ATOM 0 HA MET A 89 -5.922 -5.474 -0.935 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.763 -8.406 -0.954 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.635 -7.092 -1.720 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.792 -7.965 -2.383 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.216 -8.331 -3.336 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.882 -5.731 -5.332 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.336 -6.894 -4.100 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.519 -7.393 -5.333 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.774 -5.263 0.760 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.696 -4.991 1.854 1.00 0.00 C ATOM 1424 C ALA A 90 -9.806 -6.042 1.918 1.00 0.00 C ATOM 1425 O ALA A 90 -9.865 -6.945 1.082 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.284 -3.591 1.690 1.00 0.00 C ATOM 0 H ALA A 90 -7.857 -4.612 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.147 -5.040 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.974 -3.388 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.480 -2.855 1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.818 -3.530 0.742 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.691 -5.922 2.914 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.783 -6.875 3.109 1.00 0.00 C ATOM 1434 C ARG A 91 -13.096 -6.203 3.494 1.00 0.00 C ATOM 1435 O ARG A 91 -14.137 -6.862 3.512 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.392 -7.878 4.191 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.277 -7.215 5.567 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.723 -8.177 6.612 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.641 -9.294 6.864 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.463 -10.544 6.423 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.400 -10.869 5.691 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -12.356 -11.485 6.714 1.00 0.00 N ATOM 0 H ARG A 91 -10.669 -5.168 3.600 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.946 -7.376 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.134 -8.675 4.233 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.441 -8.341 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.629 -6.341 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.258 -6.860 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -9.762 -8.565 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.541 -7.638 7.542 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.477 -9.103 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.705 -10.160 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.280 -11.827 5.363 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.177 -11.254 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.220 -12.438 6.378 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.048 -4.908 3.799 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.230 -4.134 4.159 1.00 0.00 C ATOM 1458 C TYR A 92 -14.241 -2.801 3.419 1.00 0.00 C ATOM 1459 O TYR A 92 -13.218 -2.368 2.889 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.239 -3.842 5.663 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.120 -5.048 6.569 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -14.970 -6.151 6.404 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.158 -5.049 7.591 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -14.844 -7.261 7.251 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.031 -6.153 8.445 1.00 0.00 C ATOM 1466 CZ TYR A 92 -13.872 -7.272 8.273 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.746 -8.358 9.085 1.00 0.00 O ATOM 0 H TYR A 92 -12.184 -4.366 3.803 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.107 -4.721 3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.418 -3.161 5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.163 -3.318 5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.720 -6.145 5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.511 -4.194 7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.495 -8.113 7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.292 -6.147 9.232 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.028 -8.200 9.734 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.405 -2.142 3.381 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.515 -0.812 2.802 1.00 0.00 C ATOM 1479 C GLY A 93 -15.059 0.220 3.825 1.00 0.00 C ATOM 1480 O GLY A 93 -14.321 1.146 3.489 1.00 0.00 O ATOM 0 H GLY A 93 -16.281 -2.515 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.905 -0.743 1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.545 -0.616 2.505 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.501 0.051 5.080 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.049 0.785 6.246 1.00 0.00 C ATOM 1486 C ARG A 94 -15.695 0.127 7.477 1.00 0.00 C ATOM 1487 O ARG A 94 -16.684 -0.592 7.338 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.379 2.282 6.108 1.00 0.00 C ATOM 1489 CG ARG A 94 -16.774 2.646 6.612 1.00 0.00 C ATOM 1490 CD ARG A 94 -17.036 4.153 6.529 1.00 0.00 C ATOM 1491 NE ARG A 94 -16.688 4.710 5.219 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.517 5.291 4.938 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -14.563 5.392 5.861 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.289 5.776 3.720 1.00 0.00 N ATOM 0 H ARG A 94 -16.218 -0.637 5.308 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.965 0.741 6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.639 2.862 6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.293 2.570 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.522 2.114 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.885 2.315 7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.088 4.348 6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.460 4.662 7.302 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.383 4.651 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.720 5.023 6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.675 5.838 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.008 5.705 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.395 6.219 3.507 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.155 0.360 8.679 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.669 -0.144 9.944 1.00 0.00 C ATOM 1510 C PRO A 95 -17.113 0.303 10.183 1.00 0.00 C ATOM 1511 O PRO A 95 -17.461 1.446 9.897 1.00 0.00 O ATOM 1512 CB PRO A 95 -14.737 0.431 11.014 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.143 1.658 10.325 1.00 0.00 C ATOM 1514 CD PRO A 95 -13.979 1.160 8.901 1.00 0.00 C ATOM 0 HA PRO A 95 -15.689 -1.234 9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.280 0.700 11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.966 -0.283 11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.806 2.521 10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.192 1.956 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.918 1.986 8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.068 0.573 8.785 1.00 0.00 H new ATOM 1522 N PRO A 96 -17.966 -0.590 10.704 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.384 -0.339 10.881 1.00 0.00 C ATOM 1524 C PRO A 96 -19.725 0.420 12.168 1.00 0.00 C ATOM 1525 O PRO A 96 -20.828 0.955 12.267 1.00 0.00 O ATOM 1526 CB PRO A 96 -19.999 -1.736 10.942 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.918 -2.538 11.663 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.625 -1.941 11.112 1.00 0.00 C ATOM 0 HA PRO A 96 -19.759 0.291 10.075 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.942 -1.741 11.489 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.205 -2.133 9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.986 -2.426 12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.995 -3.604 11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.841 -1.936 11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.251 -2.523 10.270 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.822 0.481 13.155 1.00 0.00 N ATOM 1537 CA ASP A 97 -19.180 1.062 14.448 1.00 0.00 C ATOM 1538 C ASP A 97 -17.975 1.598 15.228 1.00 0.00 C ATOM 1539 O ASP A 97 -18.057 1.792 16.440 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.921 -0.008 15.260 1.00 0.00 C ATOM 1541 CG ASP A 97 -20.613 0.570 16.494 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -21.464 1.470 16.312 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.286 0.107 17.609 1.00 0.00 O ATOM 0 H ASP A 97 -17.862 0.143 13.084 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.817 1.928 14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.663 -0.493 14.625 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -19.215 -0.778 15.570 1.00 0.00 H new ATOM 1548 N SER A 98 -16.848 1.839 14.555 1.00 0.00 N ATOM 1549 CA SER A 98 -15.638 2.315 15.220 1.00 0.00 C ATOM 1550 C SER A 98 -15.755 3.764 15.685 1.00 0.00 C ATOM 1551 O SER A 98 -14.847 4.260 16.352 1.00 0.00 O ATOM 1552 CB SER A 98 -14.429 2.177 14.296 1.00 0.00 C ATOM 1553 OG SER A 98 -14.150 0.808 14.093 1.00 0.00 O ATOM 0 H SER A 98 -16.750 1.711 13.548 1.00 0.00 H new ATOM 0 HA SER A 98 -15.505 1.691 16.104 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.629 2.664 13.342 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.564 2.675 14.734 1.00 0.00 H new ATOM 0 HG SER A 98 -13.376 0.716 13.499 1.00 0.00 H new