USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 708 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 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-3.3) USER MOD Set 2.1: A 17 SER OG : rot 115:sc= -0.346 USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -102:sc= 0.303 USER MOD Single : A 32 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.12 K(o=-3.1,f=-6.8!) USER MOD Single : A 46 SER OG : rot -140:sc= -0.958 USER MOD Single : A 47 GLN : amide:sc= -0.0153 K(o=-0.015,f=-1) USER MOD Single : A 53 MET CE :methyl 157:sc= -0.323 (180deg=-0.769) USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= -0.827 (180deg=-1.93) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.789) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 29:sc= -1.15! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -170:sc= -0.0326 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00369 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 64:sc= 1.17 USER MOD Single : A 94 ASN : amide:sc= -0.456 K(o=-0.46,f=-4.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N ASP A 11 -8.066 -12.427 -0.103 1.00 0.00 N ATOM 112 CA ASP A 11 -6.825 -13.174 -0.272 1.00 0.00 C ATOM 113 C ASP A 11 -5.856 -12.419 -1.177 1.00 0.00 C ATOM 114 O ASP A 11 -6.270 -11.724 -2.105 1.00 0.00 O ATOM 115 CB ASP A 11 -7.113 -14.559 -0.855 1.00 0.00 C ATOM 116 CG ASP A 11 -8.005 -15.391 0.044 1.00 0.00 C ATOM 117 OD1 ASP A 11 -9.036 -14.863 0.511 1.00 0.00 O ATOM 118 OD2 ASP A 11 -7.673 -16.571 0.281 1.00 0.00 O ATOM 0 HA ASP A 11 -6.363 -13.290 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.587 -14.448 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.172 -15.085 -1.016 1.00 0.00 H new ATOM 123 N LEU A 12 -4.564 -12.560 -0.899 1.00 0.00 N ATOM 124 CA LEU A 12 -3.535 -11.891 -1.687 1.00 0.00 C ATOM 125 C LEU A 12 -2.942 -12.838 -2.726 1.00 0.00 C ATOM 126 O LEU A 12 -2.781 -14.035 -2.490 1.00 0.00 O ATOM 127 CB LEU A 12 -2.428 -11.362 -0.773 1.00 0.00 C ATOM 128 CG LEU A 12 -2.811 -10.197 0.140 1.00 0.00 C ATOM 129 CD1 LEU A 12 -1.729 -9.956 1.181 1.00 0.00 C ATOM 130 CD2 LEU A 12 -3.056 -8.937 -0.679 1.00 0.00 C ATOM 0 H LEU A 12 -4.205 -13.131 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.999 -11.054 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.074 -12.184 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.589 -11.049 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.734 -10.455 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.019 -9.123 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.601 -10.853 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.790 -9.719 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.328 -8.118 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.149 -8.676 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.867 -9.114 -1.386 1.00 0.00 H new ATOM 142 N PRO A 13 -2.609 -12.290 -3.904 1.00 0.00 N ATOM 143 CA PRO A 13 -2.027 -13.069 -5.002 1.00 0.00 C ATOM 144 C PRO A 13 -0.603 -13.522 -4.699 1.00 0.00 C ATOM 145 O PRO A 13 0.172 -12.794 -4.080 1.00 0.00 O ATOM 146 CB PRO A 13 -2.037 -12.087 -6.176 1.00 0.00 C ATOM 147 CG PRO A 13 -2.009 -10.739 -5.543 1.00 0.00 C ATOM 148 CD PRO A 13 -2.775 -10.870 -4.255 1.00 0.00 C ATOM 0 HA PRO A 13 -2.583 -13.987 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.174 -12.237 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.926 -12.216 -6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.985 -10.417 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.465 -9.993 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.375 -10.215 -3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.825 -10.608 -4.383 1.00 0.00 H new ATOM 156 N GLU A 14 -0.265 -14.730 -5.139 1.00 0.00 N ATOM 157 CA GLU A 14 1.066 -15.281 -4.915 1.00 0.00 C ATOM 158 C GLU A 14 2.143 -14.241 -5.216 1.00 0.00 C ATOM 159 O GLU A 14 2.412 -13.932 -6.375 1.00 0.00 O ATOM 160 CB GLU A 14 1.283 -16.522 -5.783 1.00 0.00 C ATOM 161 CG GLU A 14 1.014 -16.286 -7.260 1.00 0.00 C ATOM 162 CD GLU A 14 0.954 -17.575 -8.054 1.00 0.00 C ATOM 163 OE1 GLU A 14 -0.140 -18.172 -8.133 1.00 0.00 O ATOM 164 OE2 GLU A 14 2.000 -17.989 -8.597 1.00 0.00 O ATOM 0 H GLU A 14 -0.895 -15.346 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 14 1.141 -15.564 -3.865 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.310 -16.866 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.634 -17.322 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.072 -15.750 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.796 -15.647 -7.670 1.00 0.00 H new ATOM 171 N GLU A 15 2.752 -13.707 -4.162 1.00 0.00 N ATOM 172 CA GLU A 15 3.798 -12.702 -4.314 1.00 0.00 C ATOM 173 C GLU A 15 4.846 -13.157 -5.324 1.00 0.00 C ATOM 174 O GLU A 15 5.190 -14.336 -5.413 1.00 0.00 O ATOM 175 CB GLU A 15 4.461 -12.418 -2.965 1.00 0.00 C ATOM 176 CG GLU A 15 3.786 -11.308 -2.176 1.00 0.00 C ATOM 177 CD GLU A 15 2.357 -11.648 -1.799 1.00 0.00 C ATOM 178 OE1 GLU A 15 2.034 -12.852 -1.719 1.00 0.00 O ATOM 179 OE2 GLU A 15 1.562 -10.709 -1.585 1.00 0.00 O ATOM 0 H GLU A 15 2.540 -13.953 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 15 3.337 -11.786 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.457 -13.330 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.505 -12.151 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.360 -11.110 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.794 -10.391 -2.765 1.00 0.00 H new ATOM 186 N PRO A 16 5.369 -12.200 -6.105 1.00 0.00 N ATOM 187 CA PRO A 16 6.386 -12.477 -7.124 1.00 0.00 C ATOM 188 C PRO A 16 7.733 -12.849 -6.512 1.00 0.00 C ATOM 189 O PRO A 16 8.062 -12.422 -5.405 1.00 0.00 O ATOM 190 CB PRO A 16 6.494 -11.155 -7.887 1.00 0.00 C ATOM 191 CG PRO A 16 6.053 -10.118 -6.912 1.00 0.00 C ATOM 192 CD PRO A 16 5.007 -10.774 -6.055 1.00 0.00 C ATOM 0 HA PRO A 16 6.113 -13.326 -7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.515 -10.974 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.862 -11.158 -8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.890 -9.769 -6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.646 -9.247 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.025 -10.391 -5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.003 -10.601 -6.443 1.00 0.00 H new ATOM 200 N SER A 17 8.508 -13.647 -7.240 1.00 0.00 N ATOM 201 CA SER A 17 9.818 -14.079 -6.766 1.00 0.00 C ATOM 202 C SER A 17 10.867 -12.998 -7.007 1.00 0.00 C ATOM 203 O SER A 17 10.774 -12.232 -7.966 1.00 0.00 O ATOM 204 CB SER A 17 10.235 -15.374 -7.466 1.00 0.00 C ATOM 205 OG SER A 17 10.178 -15.233 -8.875 1.00 0.00 O ATOM 0 H SER A 17 8.252 -14.007 -8.159 1.00 0.00 H new ATOM 0 HA SER A 17 9.747 -14.260 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.247 -15.644 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.581 -16.188 -7.152 1.00 0.00 H new ATOM 0 HG SER A 17 11.081 -15.310 -9.248 1.00 0.00 H new ATOM 211 N GLU A 18 11.863 -12.941 -6.129 1.00 0.00 N ATOM 212 CA GLU A 18 12.929 -11.953 -6.245 1.00 0.00 C ATOM 213 C GLU A 18 13.465 -11.897 -7.672 1.00 0.00 C ATOM 214 O GLU A 18 13.844 -10.833 -8.164 1.00 0.00 O ATOM 215 CB GLU A 18 14.066 -12.281 -5.275 1.00 0.00 C ATOM 216 CG GLU A 18 14.711 -13.635 -5.526 1.00 0.00 C ATOM 217 CD GLU A 18 13.898 -14.781 -4.955 1.00 0.00 C ATOM 218 OE1 GLU A 18 13.822 -14.893 -3.713 1.00 0.00 O ATOM 219 OE2 GLU A 18 13.341 -15.567 -5.750 1.00 0.00 O ATOM 0 H GLU A 18 11.954 -13.568 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 18 12.514 -10.977 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.829 -11.506 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.681 -12.255 -4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.835 -13.781 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.708 -13.646 -5.085 1.00 0.00 H new ATOM 226 N THR A 19 13.492 -13.049 -8.335 1.00 0.00 N ATOM 227 CA THR A 19 13.982 -13.132 -9.705 1.00 0.00 C ATOM 228 C THR A 19 12.906 -12.710 -10.700 1.00 0.00 C ATOM 229 O THR A 19 13.211 -12.245 -11.798 1.00 0.00 O ATOM 230 CB THR A 19 14.452 -14.557 -10.048 1.00 0.00 C ATOM 231 OG1 THR A 19 13.379 -15.487 -9.857 1.00 0.00 O ATOM 232 CG2 THR A 19 15.638 -14.959 -9.185 1.00 0.00 C ATOM 0 H THR A 19 13.180 -13.938 -7.945 1.00 0.00 H new ATOM 0 HA THR A 19 14.829 -12.451 -9.780 1.00 0.00 H new ATOM 0 HB THR A 19 14.762 -14.571 -11.093 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.686 -16.391 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 19 15.952 -15.970 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.463 -14.267 -9.355 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.350 -14.928 -8.134 1.00 0.00 H new ATOM 240 N ALA A 20 11.647 -12.876 -10.308 1.00 0.00 N ATOM 241 CA ALA A 20 10.526 -12.508 -11.165 1.00 0.00 C ATOM 242 C ALA A 20 10.781 -11.176 -11.861 1.00 0.00 C ATOM 243 O ALA A 20 10.894 -10.138 -11.211 1.00 0.00 O ATOM 244 CB ALA A 20 9.241 -12.446 -10.355 1.00 0.00 C ATOM 0 H ALA A 20 11.378 -13.263 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 20 10.421 -13.274 -11.933 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.413 -12.170 -11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.044 -13.422 -9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.344 -11.702 -9.565 1.00 0.00 H new ATOM 250 N GLU A 21 10.870 -11.214 -13.188 1.00 0.00 N ATOM 251 CA GLU A 21 11.112 -10.008 -13.970 1.00 0.00 C ATOM 252 C GLU A 21 9.921 -9.058 -13.890 1.00 0.00 C ATOM 253 O GLU A 21 8.797 -9.478 -13.616 1.00 0.00 O ATOM 254 CB GLU A 21 11.392 -10.369 -15.430 1.00 0.00 C ATOM 255 CG GLU A 21 12.747 -11.024 -15.647 1.00 0.00 C ATOM 256 CD GLU A 21 13.889 -10.027 -15.611 1.00 0.00 C ATOM 257 OE1 GLU A 21 13.779 -9.027 -14.870 1.00 0.00 O ATOM 258 OE2 GLU A 21 14.890 -10.245 -16.322 1.00 0.00 O ATOM 0 H GLU A 21 10.778 -12.066 -13.742 1.00 0.00 H new ATOM 0 HA GLU A 21 11.984 -9.505 -13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.612 -11.042 -15.785 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.334 -9.465 -16.036 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.907 -11.782 -14.880 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.748 -11.538 -16.608 1.00 0.00 H new ATOM 265 N GLU A 22 10.176 -7.776 -14.130 1.00 0.00 N ATOM 266 CA GLU A 22 9.125 -6.766 -14.083 1.00 0.00 C ATOM 267 C GLU A 22 8.512 -6.684 -12.688 1.00 0.00 C ATOM 268 O GLU A 22 7.298 -6.541 -12.538 1.00 0.00 O ATOM 269 CB GLU A 22 8.039 -7.082 -15.112 1.00 0.00 C ATOM 270 CG GLU A 22 8.562 -7.199 -16.534 1.00 0.00 C ATOM 271 CD GLU A 22 7.505 -7.684 -17.506 1.00 0.00 C ATOM 272 OE1 GLU A 22 6.690 -6.853 -17.959 1.00 0.00 O ATOM 273 OE2 GLU A 22 7.491 -8.894 -17.814 1.00 0.00 O ATOM 0 H GLU A 22 11.101 -7.412 -14.359 1.00 0.00 H new ATOM 0 HA GLU A 22 9.572 -5.801 -14.322 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.550 -8.016 -14.836 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.279 -6.302 -15.077 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.933 -6.228 -16.862 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.408 -7.886 -16.551 1.00 0.00 H new ATOM 280 N VAL A 23 9.360 -6.776 -11.669 1.00 0.00 N ATOM 281 CA VAL A 23 8.903 -6.712 -10.286 1.00 0.00 C ATOM 282 C VAL A 23 9.745 -5.735 -9.473 1.00 0.00 C ATOM 283 O VAL A 23 10.953 -5.623 -9.675 1.00 0.00 O ATOM 284 CB VAL A 23 8.952 -8.098 -9.614 1.00 0.00 C ATOM 285 CG1 VAL A 23 8.539 -7.997 -8.152 1.00 0.00 C ATOM 286 CG2 VAL A 23 8.066 -9.083 -10.359 1.00 0.00 C ATOM 0 H VAL A 23 10.367 -6.895 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 23 7.870 -6.364 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 23 9.977 -8.466 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.579 -8.985 -7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.219 -7.325 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.523 -7.608 -8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.113 -10.056 -9.870 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.037 -8.723 -10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.412 -9.177 -11.388 1.00 0.00 H new ATOM 296 N VAL A 24 9.097 -5.027 -8.552 1.00 0.00 N ATOM 297 CA VAL A 24 9.786 -4.059 -7.706 1.00 0.00 C ATOM 298 C VAL A 24 9.515 -4.328 -6.231 1.00 0.00 C ATOM 299 O VAL A 24 8.582 -5.051 -5.880 1.00 0.00 O ATOM 300 CB VAL A 24 9.361 -2.619 -8.043 1.00 0.00 C ATOM 301 CG1 VAL A 24 9.781 -2.253 -9.458 1.00 0.00 C ATOM 302 CG2 VAL A 24 7.859 -2.451 -7.863 1.00 0.00 C ATOM 0 H VAL A 24 8.096 -5.106 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 24 10.853 -4.169 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 24 9.865 -1.941 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.471 -1.231 -9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.865 -2.331 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.309 -2.935 -10.165 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.576 -1.427 -8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.334 -3.139 -8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.590 -2.667 -6.829 1.00 0.00 H new ATOM 312 N THR A 25 10.337 -3.739 -5.367 1.00 0.00 N ATOM 313 CA THR A 25 10.187 -3.915 -3.928 1.00 0.00 C ATOM 314 C THR A 25 9.693 -2.633 -3.267 1.00 0.00 C ATOM 315 O THR A 25 10.335 -1.587 -3.360 1.00 0.00 O ATOM 316 CB THR A 25 11.515 -4.338 -3.273 1.00 0.00 C ATOM 317 OG1 THR A 25 12.037 -5.499 -3.929 1.00 0.00 O ATOM 318 CG2 THR A 25 11.317 -4.631 -1.792 1.00 0.00 C ATOM 0 H THR A 25 11.113 -3.136 -5.639 1.00 0.00 H new ATOM 0 HA THR A 25 9.450 -4.704 -3.780 1.00 0.00 H new ATOM 0 HB THR A 25 12.224 -3.516 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.882 -5.760 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.268 -4.928 -1.350 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.947 -3.737 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.594 -5.438 -1.674 1.00 0.00 H new ATOM 326 N VAL A 26 8.548 -2.721 -2.599 1.00 0.00 N ATOM 327 CA VAL A 26 7.967 -1.568 -1.920 1.00 0.00 C ATOM 328 C VAL A 26 7.936 -1.778 -0.410 1.00 0.00 C ATOM 329 O VAL A 26 7.271 -2.686 0.087 1.00 0.00 O ATOM 330 CB VAL A 26 6.538 -1.284 -2.417 1.00 0.00 C ATOM 331 CG1 VAL A 26 5.945 -0.089 -1.687 1.00 0.00 C ATOM 332 CG2 VAL A 26 6.533 -1.054 -3.921 1.00 0.00 C ATOM 0 H VAL A 26 8.003 -3.579 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 26 8.601 -0.712 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 26 5.919 -2.155 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.935 0.096 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.912 -0.296 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.563 0.791 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.515 -0.855 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.167 -0.201 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.913 -1.942 -4.426 1.00 0.00 H new ATOM 342 N ALA A 27 8.660 -0.932 0.315 1.00 0.00 N ATOM 343 CA ALA A 27 8.713 -1.022 1.769 1.00 0.00 C ATOM 344 C ALA A 27 7.616 -0.181 2.411 1.00 0.00 C ATOM 345 O ALA A 27 7.716 1.045 2.476 1.00 0.00 O ATOM 346 CB ALA A 27 10.080 -0.587 2.275 1.00 0.00 C ATOM 0 H ALA A 27 9.218 -0.176 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 27 8.548 -2.062 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.105 -0.659 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.848 -1.234 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.268 0.444 1.975 1.00 0.00 H new ATOM 352 N LEU A 28 6.569 -0.846 2.886 1.00 0.00 N ATOM 353 CA LEU A 28 5.451 -0.159 3.525 1.00 0.00 C ATOM 354 C LEU A 28 5.736 0.089 5.002 1.00 0.00 C ATOM 355 O LEU A 28 5.707 -0.835 5.815 1.00 0.00 O ATOM 356 CB LEU A 28 4.168 -0.979 3.372 1.00 0.00 C ATOM 357 CG LEU A 28 2.866 -0.180 3.298 1.00 0.00 C ATOM 358 CD1 LEU A 28 2.516 0.138 1.852 1.00 0.00 C ATOM 359 CD2 LEU A 28 1.733 -0.944 3.967 1.00 0.00 C ATOM 0 H LEU A 28 6.470 -1.860 2.841 1.00 0.00 H new ATOM 0 HA LEU A 28 5.320 0.805 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.252 -1.583 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.100 -1.670 4.212 1.00 0.00 H new ATOM 0 HG LEU A 28 3.008 0.760 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.587 0.707 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.317 0.726 1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.393 -0.791 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.814 -0.361 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.591 -1.900 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.981 -1.120 5.014 1.00 0.00 H new ATOM 371 N ARG A 29 6.010 1.344 5.344 1.00 0.00 N ATOM 372 CA ARG A 29 6.300 1.714 6.724 1.00 0.00 C ATOM 373 C ARG A 29 5.011 1.901 7.519 1.00 0.00 C ATOM 374 O ARG A 29 4.153 2.702 7.148 1.00 0.00 O ATOM 375 CB ARG A 29 7.129 2.999 6.767 1.00 0.00 C ATOM 376 CG ARG A 29 8.545 2.828 6.240 1.00 0.00 C ATOM 377 CD ARG A 29 9.418 4.022 6.593 1.00 0.00 C ATOM 378 NE ARG A 29 10.585 4.123 5.721 1.00 0.00 N ATOM 379 CZ ARG A 29 11.567 4.999 5.904 1.00 0.00 C ATOM 380 NH1 ARG A 29 11.522 5.845 6.924 1.00 0.00 N ATOM 381 NH2 ARG A 29 12.596 5.029 5.068 1.00 0.00 N ATOM 0 H ARG A 29 6.037 2.121 4.684 1.00 0.00 H new ATOM 0 HA ARG A 29 6.873 0.905 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.623 3.768 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.174 3.358 7.795 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.982 1.920 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.519 2.702 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.829 4.936 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.746 3.938 7.629 1.00 0.00 H new ATOM 0 HE ARG A 29 10.650 3.486 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.733 5.824 7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.277 6.517 7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.634 4.379 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.349 5.702 5.210 1.00 0.00 H new ATOM 395 N CYS A 30 4.882 1.157 8.611 1.00 0.00 N ATOM 396 CA CYS A 30 3.698 1.239 9.458 1.00 0.00 C ATOM 397 C CYS A 30 3.788 2.431 10.405 1.00 0.00 C ATOM 398 O CYS A 30 4.872 2.864 10.795 1.00 0.00 O ATOM 399 CB CYS A 30 3.527 -0.053 10.259 1.00 0.00 C ATOM 400 SG CYS A 30 3.177 -1.508 9.245 1.00 0.00 S ATOM 0 H CYS A 30 5.584 0.489 8.931 1.00 0.00 H new ATOM 0 HA CYS A 30 2.830 1.375 8.813 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.435 -0.234 10.834 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.717 0.081 10.976 1.00 0.00 H new ATOM 0 HG CYS A 30 1.909 -1.787 9.310 1.00 0.00 H new ATOM 406 N PRO A 31 2.623 2.976 10.784 1.00 0.00 N ATOM 407 CA PRO A 31 2.544 4.126 11.690 1.00 0.00 C ATOM 408 C PRO A 31 2.954 3.771 13.115 1.00 0.00 C ATOM 409 O PRO A 31 2.959 4.625 14.000 1.00 0.00 O ATOM 410 CB PRO A 31 1.064 4.515 11.640 1.00 0.00 C ATOM 411 CG PRO A 31 0.354 3.261 11.264 1.00 0.00 C ATOM 412 CD PRO A 31 1.292 2.510 10.359 1.00 0.00 C ATOM 0 HA PRO A 31 3.220 4.927 11.392 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.721 4.890 12.604 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.887 5.304 10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.108 2.672 12.147 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.585 3.481 10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.187 1.432 10.477 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.104 2.735 9.309 1.00 0.00 H new ATOM 420 N ASN A 32 3.298 2.505 13.329 1.00 0.00 N ATOM 421 CA ASN A 32 3.709 2.038 14.648 1.00 0.00 C ATOM 422 C ASN A 32 5.226 2.106 14.800 1.00 0.00 C ATOM 423 O ASN A 32 5.746 2.176 15.913 1.00 0.00 O ATOM 424 CB ASN A 32 3.228 0.604 14.877 1.00 0.00 C ATOM 425 CG ASN A 32 3.594 0.083 16.254 1.00 0.00 C ATOM 426 OD1 ASN A 32 4.763 0.088 16.641 1.00 0.00 O ATOM 427 ND2 ASN A 32 2.593 -0.370 16.999 1.00 0.00 N ATOM 0 H ASN A 32 3.300 1.785 12.607 1.00 0.00 H new ATOM 0 HA ASN A 32 3.256 2.690 15.394 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.146 0.562 14.752 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.662 -0.047 14.118 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.777 -0.734 17.934 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.640 -0.354 16.636 1.00 0.00 H new ATOM 434 N GLY A 33 5.930 2.087 13.673 1.00 0.00 N ATOM 435 CA GLY A 33 7.380 2.149 13.703 1.00 0.00 C ATOM 436 C GLY A 33 8.024 1.088 12.833 1.00 0.00 C ATOM 437 O GLY A 33 9.094 1.307 12.265 1.00 0.00 O ATOM 0 H GLY A 33 5.523 2.030 12.740 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.705 3.134 13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.724 2.030 14.730 1.00 0.00 H new ATOM 441 N ARG A 34 7.371 -0.065 12.729 1.00 0.00 N ATOM 442 CA ARG A 34 7.889 -1.165 11.923 1.00 0.00 C ATOM 443 C ARG A 34 7.596 -0.940 10.443 1.00 0.00 C ATOM 444 O ARG A 34 6.721 -0.150 10.086 1.00 0.00 O ATOM 445 CB ARG A 34 7.276 -2.491 12.380 1.00 0.00 C ATOM 446 CG ARG A 34 8.069 -3.183 13.476 1.00 0.00 C ATOM 447 CD ARG A 34 7.519 -4.570 13.771 1.00 0.00 C ATOM 448 NE ARG A 34 8.049 -5.116 15.017 1.00 0.00 N ATOM 449 CZ ARG A 34 7.597 -6.229 15.583 1.00 0.00 C ATOM 450 NH1 ARG A 34 6.611 -6.911 15.017 1.00 0.00 N ATOM 451 NH2 ARG A 34 8.130 -6.662 16.718 1.00 0.00 N ATOM 0 H ARG A 34 6.484 -0.262 13.192 1.00 0.00 H new ATOM 0 HA ARG A 34 8.970 -1.205 12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.262 -2.309 12.737 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.197 -3.160 11.523 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.114 -3.261 13.176 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.042 -2.579 14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.432 -4.524 13.829 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.766 -5.240 12.948 1.00 0.00 H new ATOM 0 HE ARG A 34 8.808 -4.615 15.478 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.198 -6.581 14.145 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.266 -7.766 15.454 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.888 -6.140 17.157 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.782 -7.517 17.151 1.00 0.00 H new ATOM 465 N VAL A 35 8.334 -1.639 9.586 1.00 0.00 N ATOM 466 CA VAL A 35 8.153 -1.516 8.145 1.00 0.00 C ATOM 467 C VAL A 35 8.207 -2.880 7.466 1.00 0.00 C ATOM 468 O VAL A 35 9.196 -3.605 7.581 1.00 0.00 O ATOM 469 CB VAL A 35 9.225 -0.602 7.521 1.00 0.00 C ATOM 470 CG1 VAL A 35 10.619 -1.097 7.872 1.00 0.00 C ATOM 471 CG2 VAL A 35 9.043 -0.520 6.013 1.00 0.00 C ATOM 0 H VAL A 35 9.063 -2.296 9.865 1.00 0.00 H new ATOM 0 HA VAL A 35 7.170 -1.073 7.986 1.00 0.00 H new ATOM 0 HB VAL A 35 9.107 0.400 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.363 -0.439 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.743 -1.098 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.752 -2.109 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.809 0.130 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.133 -1.517 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.057 -0.114 5.787 1.00 0.00 H new ATOM 481 N LEU A 36 7.138 -3.225 6.758 1.00 0.00 N ATOM 482 CA LEU A 36 7.062 -4.502 6.058 1.00 0.00 C ATOM 483 C LEU A 36 7.533 -4.362 4.614 1.00 0.00 C ATOM 484 O LEU A 36 7.198 -3.392 3.933 1.00 0.00 O ATOM 485 CB LEU A 36 5.630 -5.040 6.090 1.00 0.00 C ATOM 486 CG LEU A 36 5.245 -5.851 7.327 1.00 0.00 C ATOM 487 CD1 LEU A 36 4.724 -4.936 8.424 1.00 0.00 C ATOM 488 CD2 LEU A 36 4.206 -6.905 6.971 1.00 0.00 C ATOM 0 H LEU A 36 6.311 -2.638 6.653 1.00 0.00 H new ATOM 0 HA LEU A 36 7.720 -5.206 6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.945 -4.197 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.478 -5.664 5.209 1.00 0.00 H new ATOM 0 HG LEU A 36 6.136 -6.358 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.455 -5.531 9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.498 -4.219 8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.845 -4.401 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.943 -7.473 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.315 -6.418 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.615 -7.580 6.219 1.00 0.00 H new ATOM 500 N ARG A 37 8.309 -5.337 4.152 1.00 0.00 N ATOM 501 CA ARG A 37 8.826 -5.322 2.789 1.00 0.00 C ATOM 502 C ARG A 37 8.178 -6.420 1.951 1.00 0.00 C ATOM 503 O ARG A 37 8.215 -7.596 2.314 1.00 0.00 O ATOM 504 CB ARG A 37 10.345 -5.499 2.794 1.00 0.00 C ATOM 505 CG ARG A 37 11.083 -4.400 3.541 1.00 0.00 C ATOM 506 CD ARG A 37 12.584 -4.481 3.309 1.00 0.00 C ATOM 507 NE ARG A 37 12.962 -3.981 1.990 1.00 0.00 N ATOM 508 CZ ARG A 37 14.177 -4.124 1.472 1.00 0.00 C ATOM 509 NH1 ARG A 37 15.126 -4.749 2.157 1.00 0.00 N ATOM 510 NH2 ARG A 37 14.445 -3.642 0.264 1.00 0.00 N ATOM 0 H ARG A 37 8.594 -6.148 4.702 1.00 0.00 H new ATOM 0 HA ARG A 37 8.582 -4.357 2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.589 -6.461 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.702 -5.530 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.715 -3.427 3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.874 -4.479 4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.101 -3.905 4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.911 -5.516 3.412 1.00 0.00 H new ATOM 0 HE ARG A 37 12.255 -3.496 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.924 -5.122 3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.058 -4.857 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.718 -3.162 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.378 -3.752 -0.134 1.00 0.00 H new ATOM 524 N ARG A 38 7.584 -6.028 0.828 1.00 0.00 N ATOM 525 CA ARG A 38 6.927 -6.978 -0.060 1.00 0.00 C ATOM 526 C ARG A 38 7.153 -6.602 -1.522 1.00 0.00 C ATOM 527 O ARG A 38 7.296 -5.426 -1.855 1.00 0.00 O ATOM 528 CB ARG A 38 5.427 -7.034 0.237 1.00 0.00 C ATOM 529 CG ARG A 38 4.798 -8.388 -0.052 1.00 0.00 C ATOM 530 CD ARG A 38 3.396 -8.485 0.527 1.00 0.00 C ATOM 531 NE ARG A 38 3.004 -9.868 0.784 1.00 0.00 N ATOM 532 CZ ARG A 38 3.533 -10.614 1.747 1.00 0.00 C ATOM 533 NH1 ARG A 38 4.469 -10.113 2.541 1.00 0.00 N ATOM 534 NH2 ARG A 38 3.124 -11.865 1.918 1.00 0.00 N ATOM 0 H ARG A 38 7.545 -5.059 0.512 1.00 0.00 H new ATOM 0 HA ARG A 38 7.362 -7.962 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.263 -6.783 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.919 -6.273 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.760 -8.550 -1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.422 -9.177 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.347 -7.916 1.455 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.686 -8.030 -0.164 1.00 0.00 H new ATOM 0 HE ARG A 38 2.285 -10.284 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.785 -9.152 2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.873 -10.689 3.280 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.403 -12.254 1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.530 -12.438 2.658 1.00 0.00 H new ATOM 548 N ARG A 39 7.184 -7.609 -2.389 1.00 0.00 N ATOM 549 CA ARG A 39 7.395 -7.384 -3.813 1.00 0.00 C ATOM 550 C ARG A 39 6.071 -7.112 -4.522 1.00 0.00 C ATOM 551 O ARG A 39 5.025 -7.626 -4.125 1.00 0.00 O ATOM 552 CB ARG A 39 8.084 -8.594 -4.446 1.00 0.00 C ATOM 553 CG ARG A 39 9.498 -8.825 -3.936 1.00 0.00 C ATOM 554 CD ARG A 39 10.254 -9.808 -4.817 1.00 0.00 C ATOM 555 NE ARG A 39 10.764 -9.176 -6.031 1.00 0.00 N ATOM 556 CZ ARG A 39 11.867 -8.436 -6.066 1.00 0.00 C ATOM 557 NH1 ARG A 39 12.571 -8.237 -4.961 1.00 0.00 N ATOM 558 NH2 ARG A 39 12.267 -7.893 -7.209 1.00 0.00 N ATOM 0 H ARG A 39 7.066 -8.588 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 39 8.035 -6.509 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.487 -9.485 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.114 -8.460 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.034 -7.876 -3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.460 -9.204 -2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.084 -10.234 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.595 -10.633 -5.087 1.00 0.00 H new ATOM 0 HE ARG A 39 10.245 -9.310 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.267 -8.652 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.417 -7.668 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.728 -8.044 -8.061 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.114 -7.325 -7.235 1.00 0.00 H new ATOM 572 N PHE A 40 6.125 -6.300 -5.574 1.00 0.00 N ATOM 573 CA PHE A 40 4.930 -5.958 -6.337 1.00 0.00 C ATOM 574 C PHE A 40 5.265 -5.762 -7.813 1.00 0.00 C ATOM 575 O PHE A 40 6.149 -4.979 -8.161 1.00 0.00 O ATOM 576 CB PHE A 40 4.287 -4.688 -5.776 1.00 0.00 C ATOM 577 CG PHE A 40 3.641 -4.885 -4.434 1.00 0.00 C ATOM 578 CD1 PHE A 40 2.341 -5.357 -4.340 1.00 0.00 C ATOM 579 CD2 PHE A 40 4.333 -4.601 -3.268 1.00 0.00 C ATOM 580 CE1 PHE A 40 1.744 -5.539 -3.106 1.00 0.00 C ATOM 581 CE2 PHE A 40 3.741 -4.782 -2.032 1.00 0.00 C ATOM 582 CZ PHE A 40 2.444 -5.252 -1.951 1.00 0.00 C ATOM 0 H PHE A 40 6.983 -5.867 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 40 4.224 -6.784 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.047 -3.911 -5.694 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.538 -4.328 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.789 -5.585 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.347 -4.234 -3.325 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.730 -5.906 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.292 -4.556 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.979 -5.394 -0.987 1.00 0.00 H new ATOM 592 N PHE A 41 4.553 -6.480 -8.675 1.00 0.00 N ATOM 593 CA PHE A 41 4.776 -6.388 -10.112 1.00 0.00 C ATOM 594 C PHE A 41 4.616 -4.950 -10.597 1.00 0.00 C ATOM 595 O PHE A 41 4.315 -4.048 -9.814 1.00 0.00 O ATOM 596 CB PHE A 41 3.802 -7.301 -10.860 1.00 0.00 C ATOM 597 CG PHE A 41 4.330 -8.689 -11.080 1.00 0.00 C ATOM 598 CD1 PHE A 41 5.313 -8.929 -12.026 1.00 0.00 C ATOM 599 CD2 PHE A 41 3.843 -9.755 -10.339 1.00 0.00 C ATOM 600 CE1 PHE A 41 5.801 -10.206 -12.231 1.00 0.00 C ATOM 601 CE2 PHE A 41 4.329 -11.034 -10.539 1.00 0.00 C ATOM 602 CZ PHE A 41 5.307 -11.260 -11.487 1.00 0.00 C ATOM 0 H PHE A 41 3.817 -7.132 -8.403 1.00 0.00 H new ATOM 0 HA PHE A 41 5.797 -6.711 -10.317 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.869 -7.360 -10.299 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.566 -6.854 -11.825 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.703 -8.109 -12.610 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.076 -9.585 -9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.567 -10.379 -12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.944 -11.856 -9.954 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.685 -12.259 -11.647 1.00 0.00 H new ATOM 612 N LYS A 42 4.820 -4.742 -11.893 1.00 0.00 N ATOM 613 CA LYS A 42 4.698 -3.415 -12.484 1.00 0.00 C ATOM 614 C LYS A 42 3.295 -3.193 -13.038 1.00 0.00 C ATOM 615 O LYS A 42 2.818 -2.060 -13.113 1.00 0.00 O ATOM 616 CB LYS A 42 5.732 -3.232 -13.597 1.00 0.00 C ATOM 617 CG LYS A 42 7.140 -2.981 -13.084 1.00 0.00 C ATOM 618 CD LYS A 42 7.949 -2.145 -14.062 1.00 0.00 C ATOM 619 CE LYS A 42 8.656 -3.017 -15.088 1.00 0.00 C ATOM 620 NZ LYS A 42 9.376 -2.202 -16.106 1.00 0.00 N ATOM 0 H LYS A 42 5.071 -5.476 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 42 4.882 -2.679 -11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.737 -4.122 -14.227 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.430 -2.396 -14.228 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.092 -2.472 -12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.642 -3.934 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.291 -1.442 -14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.685 -1.555 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.364 -3.673 -14.581 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.927 -3.657 -15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.845 -2.833 -16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.697 -1.594 -16.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.089 -1.609 -15.635 1.00 0.00 H new ATOM 634 N SER A 43 2.637 -4.281 -13.425 1.00 0.00 N ATOM 635 CA SER A 43 1.289 -4.204 -13.975 1.00 0.00 C ATOM 636 C SER A 43 0.259 -4.023 -12.864 1.00 0.00 C ATOM 637 O SER A 43 -0.796 -3.420 -13.072 1.00 0.00 O ATOM 638 CB SER A 43 0.970 -5.466 -14.779 1.00 0.00 C ATOM 639 OG SER A 43 1.148 -6.631 -13.992 1.00 0.00 O ATOM 0 H SER A 43 3.016 -5.226 -13.368 1.00 0.00 H new ATOM 0 HA SER A 43 1.242 -3.339 -14.636 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.057 -5.421 -15.140 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.614 -5.514 -15.657 1.00 0.00 H new ATOM 0 HG SER A 43 0.936 -7.423 -14.528 1.00 0.00 H new ATOM 645 N TRP A 44 0.570 -4.548 -11.685 1.00 0.00 N ATOM 646 CA TRP A 44 -0.327 -4.445 -10.540 1.00 0.00 C ATOM 647 C TRP A 44 -0.635 -2.986 -10.220 1.00 0.00 C ATOM 648 O TRP A 44 0.249 -2.229 -9.820 1.00 0.00 O ATOM 649 CB TRP A 44 0.289 -5.129 -9.319 1.00 0.00 C ATOM 650 CG TRP A 44 0.042 -6.607 -9.279 1.00 0.00 C ATOM 651 CD1 TRP A 44 -0.775 -7.324 -10.104 1.00 0.00 C ATOM 652 CD2 TRP A 44 0.619 -7.547 -8.367 1.00 0.00 C ATOM 653 NE1 TRP A 44 -0.743 -8.654 -9.760 1.00 0.00 N ATOM 654 CE2 TRP A 44 0.105 -8.817 -8.697 1.00 0.00 C ATOM 655 CE3 TRP A 44 1.520 -7.441 -7.304 1.00 0.00 C ATOM 656 CZ2 TRP A 44 0.463 -9.969 -8.001 1.00 0.00 C ATOM 657 CZ3 TRP A 44 1.873 -8.585 -6.613 1.00 0.00 C ATOM 658 CH2 TRP A 44 1.346 -9.835 -6.965 1.00 0.00 C ATOM 0 H TRP A 44 1.438 -5.050 -11.496 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.260 -4.947 -10.795 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.364 -4.947 -9.313 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.116 -4.675 -8.414 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.361 -6.907 -10.910 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.266 -9.399 -10.221 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.933 -6.482 -7.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.058 -10.933 -8.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.566 -8.514 -5.788 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.643 -10.710 -6.407 1.00 0.00 H new ATOM 669 N ASN A 45 -1.893 -2.598 -10.399 1.00 0.00 N ATOM 670 CA ASN A 45 -2.317 -1.228 -10.128 1.00 0.00 C ATOM 671 C ASN A 45 -2.292 -0.937 -8.631 1.00 0.00 C ATOM 672 O ASN A 45 -2.605 -1.804 -7.815 1.00 0.00 O ATOM 673 CB ASN A 45 -3.722 -0.988 -10.684 1.00 0.00 C ATOM 674 CG ASN A 45 -3.946 0.457 -11.085 1.00 0.00 C ATOM 675 OD1 ASN A 45 -3.427 1.377 -10.452 1.00 0.00 O ATOM 676 ND2 ASN A 45 -4.720 0.664 -12.144 1.00 0.00 N ATOM 0 H ASN A 45 -2.637 -3.212 -10.730 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.618 -0.553 -10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.882 -1.631 -11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.460 -1.273 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.905 1.615 -12.463 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.130 -0.128 -12.639 1.00 0.00 H new ATOM 683 N SER A 46 -1.919 0.289 -8.278 1.00 0.00 N ATOM 684 CA SER A 46 -1.851 0.694 -6.878 1.00 0.00 C ATOM 685 C SER A 46 -2.945 0.014 -6.062 1.00 0.00 C ATOM 686 O SER A 46 -2.757 -0.291 -4.885 1.00 0.00 O ATOM 687 CB SER A 46 -1.980 2.214 -6.759 1.00 0.00 C ATOM 688 OG SER A 46 -3.304 2.637 -7.036 1.00 0.00 O ATOM 0 H SER A 46 -1.659 1.019 -8.941 1.00 0.00 H new ATOM 0 HA SER A 46 -0.883 0.386 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.697 2.529 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.289 2.696 -7.450 1.00 0.00 H new ATOM 0 HG SER A 46 -3.280 3.464 -7.561 1.00 0.00 H new ATOM 694 N GLN A 47 -4.089 -0.221 -6.697 1.00 0.00 N ATOM 695 CA GLN A 47 -5.215 -0.863 -6.030 1.00 0.00 C ATOM 696 C GLN A 47 -4.752 -2.076 -5.228 1.00 0.00 C ATOM 697 O GLN A 47 -4.908 -2.122 -4.008 1.00 0.00 O ATOM 698 CB GLN A 47 -6.268 -1.287 -7.055 1.00 0.00 C ATOM 699 CG GLN A 47 -7.329 -2.218 -6.489 1.00 0.00 C ATOM 700 CD GLN A 47 -8.389 -1.480 -5.693 1.00 0.00 C ATOM 701 OE1 GLN A 47 -8.765 -0.357 -6.031 1.00 0.00 O ATOM 702 NE2 GLN A 47 -8.877 -2.109 -4.631 1.00 0.00 N ATOM 0 H GLN A 47 -4.260 0.024 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.657 -0.142 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.754 -0.396 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.772 -1.781 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.805 -2.760 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.852 -2.961 -5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.536 -3.039 -4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.593 -1.662 -4.058 1.00 0.00 H new ATOM 711 N VAL A 48 -4.182 -3.056 -5.922 1.00 0.00 N ATOM 712 CA VAL A 48 -3.695 -4.268 -5.275 1.00 0.00 C ATOM 713 C VAL A 48 -3.102 -3.959 -3.905 1.00 0.00 C ATOM 714 O VAL A 48 -3.225 -4.752 -2.970 1.00 0.00 O ATOM 715 CB VAL A 48 -2.632 -4.976 -6.136 1.00 0.00 C ATOM 716 CG1 VAL A 48 -1.635 -3.969 -6.688 1.00 0.00 C ATOM 717 CG2 VAL A 48 -1.924 -6.053 -5.328 1.00 0.00 C ATOM 0 H VAL A 48 -4.046 -3.034 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.553 -4.930 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.131 -5.455 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.892 -4.487 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.159 -3.238 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.139 -3.459 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.176 -6.543 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.436 -5.599 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.652 -6.790 -4.987 1.00 0.00 H new ATOM 727 N LEU A 49 -2.459 -2.803 -3.792 1.00 0.00 N ATOM 728 CA LEU A 49 -1.844 -2.388 -2.536 1.00 0.00 C ATOM 729 C LEU A 49 -2.891 -2.268 -1.432 1.00 0.00 C ATOM 730 O LEU A 49 -2.790 -2.921 -0.393 1.00 0.00 O ATOM 731 CB LEU A 49 -1.121 -1.052 -2.715 1.00 0.00 C ATOM 732 CG LEU A 49 -0.124 -0.979 -3.872 1.00 0.00 C ATOM 733 CD1 LEU A 49 0.089 0.463 -4.304 1.00 0.00 C ATOM 734 CD2 LEU A 49 1.198 -1.621 -3.477 1.00 0.00 C ATOM 0 H LEU A 49 -2.350 -2.135 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.120 -3.149 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.870 -0.273 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.592 -0.821 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.536 -1.531 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.802 0.494 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.860 0.890 -4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.478 1.040 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.896 -1.560 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.615 -1.097 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.032 -2.667 -3.218 1.00 0.00 H new ATOM 746 N LEU A 50 -3.896 -1.431 -1.666 1.00 0.00 N ATOM 747 CA LEU A 50 -4.965 -1.227 -0.693 1.00 0.00 C ATOM 748 C LEU A 50 -5.312 -2.533 0.015 1.00 0.00 C ATOM 749 O LEU A 50 -5.557 -2.550 1.221 1.00 0.00 O ATOM 750 CB LEU A 50 -6.207 -0.660 -1.381 1.00 0.00 C ATOM 751 CG LEU A 50 -6.113 0.794 -1.843 1.00 0.00 C ATOM 752 CD1 LEU A 50 -7.267 1.133 -2.774 1.00 0.00 C ATOM 753 CD2 LEU A 50 -6.096 1.734 -0.647 1.00 0.00 C ATOM 0 H LEU A 50 -3.993 -0.883 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.614 -0.513 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.434 -1.282 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.050 -0.749 -0.696 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.180 0.921 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.184 2.172 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.233 0.482 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.212 0.989 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.029 2.765 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.012 1.605 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.235 1.507 -0.018 1.00 0.00 H new ATOM 765 N ASP A 51 -5.330 -3.624 -0.743 1.00 0.00 N ATOM 766 CA ASP A 51 -5.644 -4.935 -0.187 1.00 0.00 C ATOM 767 C ASP A 51 -4.585 -5.367 0.821 1.00 0.00 C ATOM 768 O ASP A 51 -4.893 -5.647 1.980 1.00 0.00 O ATOM 769 CB ASP A 51 -5.756 -5.973 -1.304 1.00 0.00 C ATOM 770 CG ASP A 51 -6.505 -7.217 -0.867 1.00 0.00 C ATOM 771 OD1 ASP A 51 -7.327 -7.118 0.067 1.00 0.00 O ATOM 772 OD2 ASP A 51 -6.267 -8.291 -1.460 1.00 0.00 O ATOM 0 H ASP A 51 -5.131 -3.627 -1.743 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.602 -4.863 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.265 -5.528 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.757 -6.253 -1.637 1.00 0.00 H new ATOM 777 N TRP A 52 -3.336 -5.419 0.373 1.00 0.00 N ATOM 778 CA TRP A 52 -2.229 -5.818 1.236 1.00 0.00 C ATOM 779 C TRP A 52 -2.193 -4.969 2.501 1.00 0.00 C ATOM 780 O TRP A 52 -1.743 -5.424 3.552 1.00 0.00 O ATOM 781 CB TRP A 52 -0.902 -5.697 0.486 1.00 0.00 C ATOM 782 CG TRP A 52 0.295 -5.934 1.356 1.00 0.00 C ATOM 783 CD1 TRP A 52 0.508 -7.000 2.184 1.00 0.00 C ATOM 784 CD2 TRP A 52 1.442 -5.087 1.487 1.00 0.00 C ATOM 785 NE1 TRP A 52 1.719 -6.866 2.820 1.00 0.00 N ATOM 786 CE2 TRP A 52 2.311 -5.701 2.409 1.00 0.00 C ATOM 787 CE3 TRP A 52 1.820 -3.870 0.912 1.00 0.00 C ATOM 788 CZ2 TRP A 52 3.533 -5.138 2.769 1.00 0.00 C ATOM 789 CZ3 TRP A 52 3.033 -3.313 1.271 1.00 0.00 C ATOM 790 CH2 TRP A 52 3.878 -3.947 2.192 1.00 0.00 C ATOM 0 H TRP A 52 -3.064 -5.190 -0.583 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.381 -6.858 1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.891 -6.412 -0.337 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.831 -4.702 0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.175 -7.826 2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.113 -7.527 3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.176 -3.374 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.185 -5.625 3.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.335 -2.373 0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.820 -3.486 2.451 1.00 0.00 H new ATOM 801 N MET A 53 -2.670 -3.733 2.393 1.00 0.00 N ATOM 802 CA MET A 53 -2.692 -2.821 3.532 1.00 0.00 C ATOM 803 C MET A 53 -3.768 -3.228 4.533 1.00 0.00 C ATOM 804 O MET A 53 -3.601 -3.061 5.740 1.00 0.00 O ATOM 805 CB MET A 53 -2.936 -1.387 3.058 1.00 0.00 C ATOM 806 CG MET A 53 -3.097 -0.391 4.195 1.00 0.00 C ATOM 807 SD MET A 53 -2.559 1.270 3.745 1.00 0.00 S ATOM 808 CE MET A 53 -3.932 1.807 2.728 1.00 0.00 C ATOM 0 H MET A 53 -3.046 -3.340 1.530 1.00 0.00 H new ATOM 0 HA MET A 53 -1.722 -2.873 4.027 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.104 -1.075 2.427 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.832 -1.366 2.437 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.143 -0.360 4.500 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.524 -0.733 5.057 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.967 2.896 2.710 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.802 1.431 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.864 1.421 3.141 1.00 0.00 H new ATOM 818 N MET A 54 -4.873 -3.762 4.023 1.00 0.00 N ATOM 819 CA MET A 54 -5.977 -4.193 4.875 1.00 0.00 C ATOM 820 C MET A 54 -5.668 -5.538 5.524 1.00 0.00 C ATOM 821 O MET A 54 -6.154 -5.839 6.614 1.00 0.00 O ATOM 822 CB MET A 54 -7.268 -4.290 4.061 1.00 0.00 C ATOM 823 CG MET A 54 -7.674 -2.980 3.405 1.00 0.00 C ATOM 824 SD MET A 54 -8.643 -3.226 1.904 1.00 0.00 S ATOM 825 CE MET A 54 -10.255 -2.663 2.447 1.00 0.00 C ATOM 0 H MET A 54 -5.028 -3.907 3.025 1.00 0.00 H new ATOM 0 HA MET A 54 -6.108 -3.451 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 54 -7.145 -5.050 3.290 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.074 -4.625 4.713 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.253 -2.387 4.113 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.779 -2.406 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.967 -2.753 1.627 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.589 -3.272 3.287 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.190 -1.620 2.758 1.00 0.00 H new ATOM 835 N LYS A 55 -4.858 -6.345 4.847 1.00 0.00 N ATOM 836 CA LYS A 55 -4.483 -7.658 5.358 1.00 0.00 C ATOM 837 C LYS A 55 -3.517 -7.530 6.531 1.00 0.00 C ATOM 838 O LYS A 55 -3.654 -8.223 7.540 1.00 0.00 O ATOM 839 CB LYS A 55 -3.846 -8.498 4.248 1.00 0.00 C ATOM 840 CG LYS A 55 -4.829 -8.932 3.174 1.00 0.00 C ATOM 841 CD LYS A 55 -5.793 -9.985 3.693 1.00 0.00 C ATOM 842 CE LYS A 55 -5.132 -11.353 3.773 1.00 0.00 C ATOM 843 NZ LYS A 55 -5.235 -12.095 2.486 1.00 0.00 N ATOM 0 H LYS A 55 -4.448 -6.112 3.942 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.388 -8.155 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.044 -7.924 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.390 -9.383 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.390 -8.066 2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.283 -9.328 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.153 -9.695 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.663 -10.038 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.082 -11.234 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.599 -11.936 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.628 -13.042 2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.858 -11.576 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.290 -12.186 2.061 1.00 0.00 H new ATOM 857 N VAL A 56 -2.540 -6.639 6.393 1.00 0.00 N ATOM 858 CA VAL A 56 -1.552 -6.419 7.442 1.00 0.00 C ATOM 859 C VAL A 56 -2.204 -5.860 8.702 1.00 0.00 C ATOM 860 O VAL A 56 -1.726 -6.085 9.813 1.00 0.00 O ATOM 861 CB VAL A 56 -0.446 -5.453 6.978 1.00 0.00 C ATOM 862 CG1 VAL A 56 0.441 -6.118 5.936 1.00 0.00 C ATOM 863 CG2 VAL A 56 -1.054 -4.170 6.432 1.00 0.00 C ATOM 0 H VAL A 56 -2.412 -6.058 5.565 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.107 -7.388 7.666 1.00 0.00 H new ATOM 0 HB VAL A 56 0.173 -5.197 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.217 -5.420 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.905 -7.006 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.162 -6.405 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.258 -3.499 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.698 -4.404 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.643 -3.686 7.211 1.00 0.00 H new ATOM 873 N GLY A 57 -3.300 -5.130 8.521 1.00 0.00 N ATOM 874 CA GLY A 57 -4.001 -4.549 9.651 1.00 0.00 C ATOM 875 C GLY A 57 -4.132 -3.044 9.542 1.00 0.00 C ATOM 876 O GLY A 57 -3.796 -2.315 10.476 1.00 0.00 O ATOM 0 H GLY A 57 -3.715 -4.930 7.611 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.994 -4.992 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.471 -4.799 10.570 1.00 0.00 H new ATOM 880 N TYR A 58 -4.618 -2.575 8.397 1.00 0.00 N ATOM 881 CA TYR A 58 -4.790 -1.146 8.167 1.00 0.00 C ATOM 882 C TYR A 58 -5.756 -0.891 7.015 1.00 0.00 C ATOM 883 O TYR A 58 -5.523 -1.324 5.886 1.00 0.00 O ATOM 884 CB TYR A 58 -3.439 -0.491 7.870 1.00 0.00 C ATOM 885 CG TYR A 58 -2.414 -0.693 8.962 1.00 0.00 C ATOM 886 CD1 TYR A 58 -2.423 0.097 10.105 1.00 0.00 C ATOM 887 CD2 TYR A 58 -1.436 -1.674 8.851 1.00 0.00 C ATOM 888 CE1 TYR A 58 -1.488 -0.083 11.106 1.00 0.00 C ATOM 889 CE2 TYR A 58 -0.498 -1.862 9.848 1.00 0.00 C ATOM 890 CZ TYR A 58 -0.528 -1.065 10.973 1.00 0.00 C ATOM 891 OH TYR A 58 0.406 -1.248 11.967 1.00 0.00 O ATOM 0 H TYR A 58 -4.900 -3.165 7.614 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.210 -0.706 9.072 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.047 -0.894 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.589 0.578 7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.174 0.865 10.213 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.409 -2.300 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.508 0.541 11.987 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.255 -2.629 9.747 1.00 0.00 H new ATOM 0 HH TYR A 58 1.009 -1.980 11.719 1.00 0.00 H new ATOM 901 N HIS A 59 -6.843 -0.184 7.308 1.00 0.00 N ATOM 902 CA HIS A 59 -7.846 0.131 6.297 1.00 0.00 C ATOM 903 C HIS A 59 -7.395 1.303 5.431 1.00 0.00 C ATOM 904 O HIS A 59 -6.421 1.987 5.750 1.00 0.00 O ATOM 905 CB HIS A 59 -9.184 0.457 6.961 1.00 0.00 C ATOM 906 CG HIS A 59 -10.349 0.392 6.022 1.00 0.00 C ATOM 907 ND1 HIS A 59 -11.049 1.507 5.612 1.00 0.00 N ATOM 908 CD2 HIS A 59 -10.936 -0.664 5.411 1.00 0.00 C ATOM 909 CE1 HIS A 59 -12.017 1.140 4.791 1.00 0.00 C ATOM 910 NE2 HIS A 59 -11.970 -0.172 4.653 1.00 0.00 N ATOM 0 H HIS A 59 -7.052 0.182 8.237 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.970 -0.743 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.351 -0.238 7.783 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -9.132 1.456 7.394 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.645 -1.700 5.503 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.726 1.801 4.314 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.600 -0.730 4.077 1.00 0.00 H new ATOM 918 N LYS A 60 -8.108 1.530 4.333 1.00 0.00 N ATOM 919 CA LYS A 60 -7.782 2.620 3.420 1.00 0.00 C ATOM 920 C LYS A 60 -8.236 3.960 3.990 1.00 0.00 C ATOM 921 O LYS A 60 -7.457 4.910 4.062 1.00 0.00 O ATOM 922 CB LYS A 60 -8.438 2.384 2.057 1.00 0.00 C ATOM 923 CG LYS A 60 -9.947 2.221 2.129 1.00 0.00 C ATOM 924 CD LYS A 60 -10.461 1.312 1.026 1.00 0.00 C ATOM 925 CE LYS A 60 -10.822 2.100 -0.225 1.00 0.00 C ATOM 926 NZ LYS A 60 -10.859 1.233 -1.435 1.00 0.00 N ATOM 0 H LYS A 60 -8.916 0.974 4.053 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.699 2.646 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.202 3.221 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.006 1.492 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.224 1.810 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.424 3.198 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.702 0.569 0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.337 0.768 1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.794 2.574 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.096 2.899 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.684 1.811 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.126 0.500 -1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.793 0.782 -1.510 1.00 0.00 H new ATOM 940 N SER A 61 -9.501 4.030 4.392 1.00 0.00 N ATOM 941 CA SER A 61 -10.059 5.255 4.953 1.00 0.00 C ATOM 942 C SER A 61 -9.340 5.639 6.243 1.00 0.00 C ATOM 943 O SER A 61 -9.137 6.820 6.525 1.00 0.00 O ATOM 944 CB SER A 61 -11.555 5.082 5.222 1.00 0.00 C ATOM 945 OG SER A 61 -12.323 5.460 4.093 1.00 0.00 O ATOM 0 H SER A 61 -10.159 3.252 4.340 1.00 0.00 H new ATOM 0 HA SER A 61 -9.917 6.055 4.227 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.764 4.043 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.845 5.686 6.082 1.00 0.00 H new ATOM 0 HG SER A 61 -13.275 5.339 4.290 1.00 0.00 H new ATOM 951 N LEU A 62 -8.957 4.633 7.021 1.00 0.00 N ATOM 952 CA LEU A 62 -8.261 4.863 8.281 1.00 0.00 C ATOM 953 C LEU A 62 -6.788 5.178 8.040 1.00 0.00 C ATOM 954 O LEU A 62 -6.240 6.118 8.617 1.00 0.00 O ATOM 955 CB LEU A 62 -8.390 3.639 9.189 1.00 0.00 C ATOM 956 CG LEU A 62 -9.795 3.330 9.704 1.00 0.00 C ATOM 957 CD1 LEU A 62 -9.887 1.887 10.175 1.00 0.00 C ATOM 958 CD2 LEU A 62 -10.175 4.284 10.826 1.00 0.00 C ATOM 0 H LEU A 62 -9.117 3.650 6.801 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.722 5.721 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.025 2.768 8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.733 3.778 10.047 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.499 3.468 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.895 1.686 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.660 1.218 9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.172 1.721 10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.179 4.048 11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.467 4.180 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.152 5.309 10.456 1.00 0.00 H new ATOM 970 N TYR A 63 -6.152 4.388 7.183 1.00 0.00 N ATOM 971 CA TYR A 63 -4.743 4.581 6.864 1.00 0.00 C ATOM 972 C TYR A 63 -4.546 4.779 5.364 1.00 0.00 C ATOM 973 O TYR A 63 -5.114 4.052 4.550 1.00 0.00 O ATOM 974 CB TYR A 63 -3.920 3.385 7.345 1.00 0.00 C ATOM 975 CG TYR A 63 -3.975 3.174 8.841 1.00 0.00 C ATOM 976 CD1 TYR A 63 -4.980 2.405 9.417 1.00 0.00 C ATOM 977 CD2 TYR A 63 -3.025 3.743 9.679 1.00 0.00 C ATOM 978 CE1 TYR A 63 -5.035 2.211 10.784 1.00 0.00 C ATOM 979 CE2 TYR A 63 -3.072 3.552 11.046 1.00 0.00 C ATOM 980 CZ TYR A 63 -4.079 2.785 11.594 1.00 0.00 C ATOM 981 OH TYR A 63 -4.130 2.594 12.955 1.00 0.00 O ATOM 0 H TYR A 63 -6.591 3.607 6.696 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.400 5.479 7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.278 2.484 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.882 3.525 7.044 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.730 1.952 8.786 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.236 4.345 9.254 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.823 1.612 11.216 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.324 4.001 11.683 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.383 3.065 13.380 1.00 0.00 H new ATOM 991 N ARG A 64 -3.733 5.769 5.006 1.00 0.00 N ATOM 992 CA ARG A 64 -3.460 6.064 3.605 1.00 0.00 C ATOM 993 C ARG A 64 -2.005 5.761 3.260 1.00 0.00 C ATOM 994 O ARG A 64 -1.212 5.398 4.128 1.00 0.00 O ATOM 995 CB ARG A 64 -3.773 7.531 3.300 1.00 0.00 C ATOM 996 CG ARG A 64 -2.956 8.512 4.124 1.00 0.00 C ATOM 997 CD ARG A 64 -2.933 9.892 3.485 1.00 0.00 C ATOM 998 NE ARG A 64 -4.261 10.495 3.437 1.00 0.00 N ATOM 999 CZ ARG A 64 -4.475 11.784 3.197 1.00 0.00 C ATOM 1000 NH1 ARG A 64 -3.452 12.600 2.984 1.00 0.00 N ATOM 1001 NH2 ARG A 64 -5.715 12.258 3.169 1.00 0.00 N ATOM 0 H ARG A 64 -3.253 6.379 5.667 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.101 5.428 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.592 7.720 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.833 7.713 3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.374 8.582 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.936 8.141 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.261 10.540 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.532 9.817 2.474 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.069 9.894 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.498 12.238 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.619 13.589 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.504 11.632 3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.879 13.248 2.985 1.00 0.00 H new ATOM 1015 N LEU A 65 -1.661 5.912 1.985 1.00 0.00 N ATOM 1016 CA LEU A 65 -0.302 5.654 1.524 1.00 0.00 C ATOM 1017 C LEU A 65 0.396 6.953 1.131 1.00 0.00 C ATOM 1018 O LEU A 65 -0.254 7.933 0.771 1.00 0.00 O ATOM 1019 CB LEU A 65 -0.320 4.692 0.334 1.00 0.00 C ATOM 1020 CG LEU A 65 -0.895 3.302 0.605 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -1.166 2.573 -0.702 1.00 0.00 C ATOM 1022 CD2 LEU A 65 0.051 2.494 1.482 1.00 0.00 C ATOM 0 H LEU A 65 -2.305 6.212 1.253 1.00 0.00 H new ATOM 0 HA LEU A 65 0.253 5.198 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.895 5.151 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.701 4.577 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.840 3.418 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.575 1.585 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.882 3.142 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.235 2.468 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.375 1.507 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.012 2.387 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.195 3.008 2.432 1.00 0.00 H new ATOM 1034 N SER A 66 1.723 6.950 1.202 1.00 0.00 N ATOM 1035 CA SER A 66 2.509 8.129 0.857 1.00 0.00 C ATOM 1036 C SER A 66 3.928 7.736 0.456 1.00 0.00 C ATOM 1037 O SER A 66 4.333 6.584 0.609 1.00 0.00 O ATOM 1038 CB SER A 66 2.551 9.104 2.034 1.00 0.00 C ATOM 1039 OG SER A 66 3.303 10.261 1.712 1.00 0.00 O ATOM 0 H SER A 66 2.276 6.145 1.495 1.00 0.00 H new ATOM 0 HA SER A 66 2.031 8.618 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.536 9.391 2.309 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.989 8.612 2.902 1.00 0.00 H new ATOM 0 HG SER A 66 3.246 10.431 0.749 1.00 0.00 H new ATOM 1045 N THR A 67 4.680 8.705 -0.058 1.00 0.00 N ATOM 1046 CA THR A 67 6.053 8.463 -0.482 1.00 0.00 C ATOM 1047 C THR A 67 7.047 8.961 0.561 1.00 0.00 C ATOM 1048 O THR A 67 6.659 9.543 1.573 1.00 0.00 O ATOM 1049 CB THR A 67 6.354 9.146 -1.829 1.00 0.00 C ATOM 1050 OG1 THR A 67 6.027 10.539 -1.756 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.567 8.494 -2.956 1.00 0.00 C ATOM 0 H THR A 67 4.361 9.665 -0.190 1.00 0.00 H new ATOM 0 HA THR A 67 6.162 7.385 -0.598 1.00 0.00 H new ATOM 0 HB THR A 67 7.418 9.033 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.223 10.966 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.797 8.994 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.840 7.441 -3.029 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.500 8.579 -2.751 1.00 0.00 H new ATOM 1059 N SER A 68 8.331 8.728 0.307 1.00 0.00 N ATOM 1060 CA SER A 68 9.381 9.151 1.227 1.00 0.00 C ATOM 1061 C SER A 68 9.751 10.613 0.994 1.00 0.00 C ATOM 1062 O SER A 68 9.496 11.167 -0.076 1.00 0.00 O ATOM 1063 CB SER A 68 10.618 8.268 1.062 1.00 0.00 C ATOM 1064 OG SER A 68 10.542 7.123 1.893 1.00 0.00 O ATOM 0 H SER A 68 8.669 8.249 -0.528 1.00 0.00 H new ATOM 0 HA SER A 68 9.002 9.048 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.712 7.960 0.021 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.513 8.840 1.307 1.00 0.00 H new ATOM 0 HG SER A 68 11.405 6.659 1.890 1.00 0.00 H new ATOM 1070 N PHE A 69 10.355 11.232 2.002 1.00 0.00 N ATOM 1071 CA PHE A 69 10.760 12.630 1.909 1.00 0.00 C ATOM 1072 C PHE A 69 11.268 12.956 0.508 1.00 0.00 C ATOM 1073 O PHE A 69 12.193 12.327 -0.006 1.00 0.00 O ATOM 1074 CB PHE A 69 11.845 12.939 2.943 1.00 0.00 C ATOM 1075 CG PHE A 69 13.098 12.133 2.755 1.00 0.00 C ATOM 1076 CD1 PHE A 69 13.142 10.799 3.127 1.00 0.00 C ATOM 1077 CD2 PHE A 69 14.232 12.708 2.204 1.00 0.00 C ATOM 1078 CE1 PHE A 69 14.295 10.055 2.956 1.00 0.00 C ATOM 1079 CE2 PHE A 69 15.388 11.970 2.031 1.00 0.00 C ATOM 1080 CZ PHE A 69 15.418 10.641 2.406 1.00 0.00 C ATOM 0 H PHE A 69 10.575 10.788 2.893 1.00 0.00 H new ATOM 0 HA PHE A 69 9.887 13.250 2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.093 13.999 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.449 12.752 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.266 10.335 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.212 13.746 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.317 9.017 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 69 16.266 12.432 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 69 16.319 10.061 2.269 1.00 0.00 H new ATOM 1090 N PRO A 70 10.649 13.963 -0.126 1.00 0.00 N ATOM 1091 CA PRO A 70 9.547 14.719 0.476 1.00 0.00 C ATOM 1092 C PRO A 70 8.275 13.887 0.602 1.00 0.00 C ATOM 1093 O PRO A 70 7.793 13.321 -0.379 1.00 0.00 O ATOM 1094 CB PRO A 70 9.334 15.876 -0.502 1.00 0.00 C ATOM 1095 CG PRO A 70 9.839 15.367 -1.808 1.00 0.00 C ATOM 1096 CD PRO A 70 10.978 14.442 -1.479 1.00 0.00 C ATOM 0 HA PRO A 70 9.779 15.039 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.281 16.152 -0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.879 16.766 -0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.054 14.842 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.173 16.187 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.046 13.619 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.936 14.961 -1.499 1.00 0.00 H new ATOM 1104 N ARG A 71 7.736 13.818 1.814 1.00 0.00 N ATOM 1105 CA ARG A 71 6.520 13.054 2.069 1.00 0.00 C ATOM 1106 C ARG A 71 5.331 13.667 1.334 1.00 0.00 C ATOM 1107 O ARG A 71 5.049 14.857 1.475 1.00 0.00 O ATOM 1108 CB ARG A 71 6.233 12.997 3.570 1.00 0.00 C ATOM 1109 CG ARG A 71 5.016 12.159 3.925 1.00 0.00 C ATOM 1110 CD ARG A 71 3.747 12.998 3.941 1.00 0.00 C ATOM 1111 NE ARG A 71 3.763 13.993 5.010 1.00 0.00 N ATOM 1112 CZ ARG A 71 2.683 14.654 5.415 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.509 14.426 4.843 1.00 0.00 N ATOM 1114 NH2 ARG A 71 2.777 15.544 6.394 1.00 0.00 N ATOM 0 H ARG A 71 8.122 14.282 2.636 1.00 0.00 H new ATOM 0 HA ARG A 71 6.672 12.040 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.105 12.592 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.087 14.011 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.908 11.348 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.162 11.699 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.632 13.500 2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.883 12.346 4.066 1.00 0.00 H new ATOM 0 HE ARG A 71 4.651 14.192 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.433 13.742 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.682 14.935 5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.679 15.722 6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.948 16.051 6.704 1.00 0.00 H new ATOM 1128 N ARG A 72 4.638 12.846 0.553 1.00 0.00 N ATOM 1129 CA ARG A 72 3.480 13.306 -0.204 1.00 0.00 C ATOM 1130 C ARG A 72 2.410 12.221 -0.274 1.00 0.00 C ATOM 1131 O ARG A 72 2.709 11.055 -0.528 1.00 0.00 O ATOM 1132 CB ARG A 72 3.899 13.716 -1.617 1.00 0.00 C ATOM 1133 CG ARG A 72 4.738 14.984 -1.660 1.00 0.00 C ATOM 1134 CD ARG A 72 4.722 15.615 -3.043 1.00 0.00 C ATOM 1135 NE ARG A 72 5.240 16.981 -3.027 1.00 0.00 N ATOM 1136 CZ ARG A 72 4.582 18.010 -2.505 1.00 0.00 C ATOM 1137 NH1 ARG A 72 3.387 17.830 -1.959 1.00 0.00 N ATOM 1138 NH2 ARG A 72 5.119 19.223 -2.528 1.00 0.00 N ATOM 0 H ARG A 72 4.858 11.858 0.428 1.00 0.00 H new ATOM 0 HA ARG A 72 3.062 14.172 0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.464 12.901 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.005 13.861 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.359 15.698 -0.929 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.765 14.752 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.318 15.009 -3.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.702 15.618 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 72 6.157 17.154 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.970 16.899 -1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.884 18.622 -1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.038 19.366 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.613 20.013 -2.127 1.00 0.00 H new ATOM 1152 N ALA A 73 1.160 12.614 -0.047 1.00 0.00 N ATOM 1153 CA ALA A 73 0.045 11.676 -0.085 1.00 0.00 C ATOM 1154 C ALA A 73 -0.222 11.199 -1.509 1.00 0.00 C ATOM 1155 O ALA A 73 -0.641 11.978 -2.367 1.00 0.00 O ATOM 1156 CB ALA A 73 -1.203 12.317 0.502 1.00 0.00 C ATOM 0 H ALA A 73 0.895 13.576 0.165 1.00 0.00 H new ATOM 0 HA ALA A 73 0.311 10.807 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.028 11.606 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.013 12.602 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.464 13.203 -0.077 1.00 0.00 H new ATOM 1162 N LEU A 74 0.024 9.917 -1.754 1.00 0.00 N ATOM 1163 CA LEU A 74 -0.190 9.337 -3.075 1.00 0.00 C ATOM 1164 C LEU A 74 -1.648 8.930 -3.261 1.00 0.00 C ATOM 1165 O LEU A 74 -2.219 8.232 -2.424 1.00 0.00 O ATOM 1166 CB LEU A 74 0.720 8.123 -3.273 1.00 0.00 C ATOM 1167 CG LEU A 74 2.096 8.408 -3.875 1.00 0.00 C ATOM 1168 CD1 LEU A 74 2.896 7.121 -4.013 1.00 0.00 C ATOM 1169 CD2 LEU A 74 1.957 9.098 -5.225 1.00 0.00 C ATOM 0 H LEU A 74 0.372 9.260 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 74 0.055 10.093 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.861 7.638 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.205 7.409 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 74 2.633 9.076 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.872 7.344 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.027 6.667 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.362 6.429 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.947 9.293 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.400 8.455 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.425 10.041 -5.099 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.243 9.368 -4.367 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.634 9.046 -4.663 1.00 0.00 C ATOM 1183 C GLU A 75 -3.727 7.854 -5.610 1.00 0.00 C ATOM 1184 O GLU A 75 -3.461 7.976 -6.807 1.00 0.00 O ATOM 1185 CB GLU A 75 -4.341 10.257 -5.277 1.00 0.00 C ATOM 1186 CG GLU A 75 -5.631 9.907 -5.998 1.00 0.00 C ATOM 1187 CD GLU A 75 -6.639 11.039 -5.972 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -6.343 12.112 -6.540 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -7.726 10.853 -5.386 1.00 0.00 O ATOM 0 H GLU A 75 -1.784 9.946 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.127 8.783 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.559 10.978 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.664 10.746 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.406 9.649 -7.033 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.072 9.022 -5.538 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.108 6.703 -5.069 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.238 5.488 -5.864 1.00 0.00 C ATOM 1198 C VAL A 76 -5.210 5.691 -7.021 1.00 0.00 C ATOM 1199 O VAL A 76 -6.415 5.827 -6.815 1.00 0.00 O ATOM 1200 CB VAL A 76 -4.718 4.303 -5.006 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.657 3.917 -3.987 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -6.032 4.641 -4.319 1.00 0.00 C ATOM 0 H VAL A 76 -4.333 6.586 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.248 5.261 -6.260 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.886 3.448 -5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.014 3.078 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.742 3.630 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.453 4.766 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.357 3.792 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.893 5.510 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.789 4.863 -5.071 1.00 0.00 H new ATOM 1212 N GLU A 77 -4.677 5.710 -8.239 1.00 0.00 N ATOM 1213 CA GLU A 77 -5.498 5.896 -9.429 1.00 0.00 C ATOM 1214 C GLU A 77 -6.103 4.571 -9.886 1.00 0.00 C ATOM 1215 O GLU A 77 -5.400 3.572 -10.032 1.00 0.00 O ATOM 1216 CB GLU A 77 -4.667 6.506 -10.560 1.00 0.00 C ATOM 1217 CG GLU A 77 -5.496 6.946 -11.755 1.00 0.00 C ATOM 1218 CD GLU A 77 -4.713 7.819 -12.717 1.00 0.00 C ATOM 1219 OE1 GLU A 77 -3.713 8.429 -12.285 1.00 0.00 O ATOM 1220 OE2 GLU A 77 -5.102 7.893 -13.901 1.00 0.00 O ATOM 0 H GLU A 77 -3.681 5.599 -8.427 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.309 6.578 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.118 7.365 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.927 5.777 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.861 6.065 -12.284 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.371 7.493 -11.404 1.00 0.00 H new ATOM 1227 N GLY A 78 -7.415 4.571 -10.108 1.00 0.00 N ATOM 1228 CA GLY A 78 -8.093 3.364 -10.545 1.00 0.00 C ATOM 1229 C GLY A 78 -7.924 3.109 -12.029 1.00 0.00 C ATOM 1230 O GLY A 78 -8.867 2.703 -12.707 1.00 0.00 O ATOM 0 H GLY A 78 -8.019 5.385 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.706 2.511 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.155 3.443 -10.312 1.00 0.00 H new ATOM 1234 N GLY A 79 -6.718 3.350 -12.537 1.00 0.00 N ATOM 1235 CA GLY A 79 -6.451 3.140 -13.947 1.00 0.00 C ATOM 1236 C GLY A 79 -4.969 3.059 -14.252 1.00 0.00 C ATOM 1237 O GLY A 79 -4.535 2.221 -15.041 1.00 0.00 O ATOM 0 H GLY A 79 -5.922 3.687 -11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.936 2.220 -14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.893 3.954 -14.522 1.00 0.00 H new ATOM 1241 N SER A 80 -4.190 3.936 -13.626 1.00 0.00 N ATOM 1242 CA SER A 80 -2.748 3.964 -13.837 1.00 0.00 C ATOM 1243 C SER A 80 -2.053 2.894 -12.999 1.00 0.00 C ATOM 1244 O SER A 80 -2.132 2.904 -11.772 1.00 0.00 O ATOM 1245 CB SER A 80 -2.186 5.344 -13.488 1.00 0.00 C ATOM 1246 OG SER A 80 -2.383 6.259 -14.552 1.00 0.00 O ATOM 0 H SER A 80 -4.534 4.636 -12.969 1.00 0.00 H new ATOM 0 HA SER A 80 -2.558 3.757 -14.890 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.670 5.720 -12.587 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.122 5.262 -13.267 1.00 0.00 H new ATOM 0 HG SER A 80 -2.017 7.133 -14.304 1.00 0.00 H new ATOM 1252 N SER A 81 -1.376 1.971 -13.674 1.00 0.00 N ATOM 1253 CA SER A 81 -0.671 0.890 -12.994 1.00 0.00 C ATOM 1254 C SER A 81 0.437 1.441 -12.103 1.00 0.00 C ATOM 1255 O SER A 81 0.760 2.629 -12.155 1.00 0.00 O ATOM 1256 CB SER A 81 -0.082 -0.085 -14.015 1.00 0.00 C ATOM 1257 OG SER A 81 1.042 0.479 -14.669 1.00 0.00 O ATOM 0 H SER A 81 -1.301 1.950 -14.691 1.00 0.00 H new ATOM 0 HA SER A 81 -1.388 0.359 -12.367 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.210 -1.008 -13.515 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.841 -0.348 -14.752 1.00 0.00 H new ATOM 0 HG SER A 81 1.401 -0.164 -15.315 1.00 0.00 H new ATOM 1263 N LEU A 82 1.017 0.571 -11.284 1.00 0.00 N ATOM 1264 CA LEU A 82 2.090 0.969 -10.379 1.00 0.00 C ATOM 1265 C LEU A 82 3.180 1.729 -11.127 1.00 0.00 C ATOM 1266 O LEU A 82 3.692 2.737 -10.642 1.00 0.00 O ATOM 1267 CB LEU A 82 2.689 -0.262 -9.694 1.00 0.00 C ATOM 1268 CG LEU A 82 2.029 -0.687 -8.382 1.00 0.00 C ATOM 1269 CD1 LEU A 82 2.384 -2.127 -8.048 1.00 0.00 C ATOM 1270 CD2 LEU A 82 2.442 0.242 -7.250 1.00 0.00 C ATOM 0 H LEU A 82 0.762 -0.415 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 82 1.667 1.629 -9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.641 -1.100 -10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.744 -0.068 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 82 0.948 -0.619 -8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.905 -2.412 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.036 -2.782 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.465 -2.221 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.962 -0.076 -6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.525 0.208 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.135 1.261 -7.485 1.00 0.00 H new ATOM 1282 N GLU A 83 3.528 1.239 -12.314 1.00 0.00 N ATOM 1283 CA GLU A 83 4.556 1.874 -13.129 1.00 0.00 C ATOM 1284 C GLU A 83 4.045 3.181 -13.729 1.00 0.00 C ATOM 1285 O GLU A 83 4.806 4.131 -13.914 1.00 0.00 O ATOM 1286 CB GLU A 83 5.009 0.930 -14.245 1.00 0.00 C ATOM 1287 CG GLU A 83 5.537 1.650 -15.474 1.00 0.00 C ATOM 1288 CD GLU A 83 5.984 0.694 -16.563 1.00 0.00 C ATOM 1289 OE1 GLU A 83 5.197 -0.208 -16.919 1.00 0.00 O ATOM 1290 OE2 GLU A 83 7.120 0.848 -17.059 1.00 0.00 O ATOM 0 H GLU A 83 3.113 0.406 -12.731 1.00 0.00 H new ATOM 0 HA GLU A 83 5.407 2.098 -12.485 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.786 0.271 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.171 0.297 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.761 2.306 -15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.375 2.285 -15.187 1.00 0.00 H new ATOM 1297 N ASP A 84 2.752 3.220 -14.030 1.00 0.00 N ATOM 1298 CA ASP A 84 2.138 4.409 -14.609 1.00 0.00 C ATOM 1299 C ASP A 84 2.178 5.574 -13.625 1.00 0.00 C ATOM 1300 O ASP A 84 2.314 6.732 -14.023 1.00 0.00 O ATOM 1301 CB ASP A 84 0.693 4.117 -15.016 1.00 0.00 C ATOM 1302 CG ASP A 84 0.594 3.503 -16.398 1.00 0.00 C ATOM 1303 OD1 ASP A 84 1.464 3.800 -17.244 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -0.355 2.725 -16.635 1.00 0.00 O ATOM 0 H ASP A 84 2.109 2.442 -13.883 1.00 0.00 H new ATOM 0 HA ASP A 84 2.707 4.687 -15.496 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.243 3.442 -14.288 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.117 5.042 -14.991 1.00 0.00 H new ATOM 1309 N ILE A 85 2.055 5.261 -12.339 1.00 0.00 N ATOM 1310 CA ILE A 85 2.076 6.281 -11.299 1.00 0.00 C ATOM 1311 C ILE A 85 3.505 6.691 -10.960 1.00 0.00 C ATOM 1312 O ILE A 85 3.761 7.830 -10.575 1.00 0.00 O ATOM 1313 CB ILE A 85 1.375 5.794 -10.018 1.00 0.00 C ATOM 1314 CG1 ILE A 85 2.028 4.506 -9.512 1.00 0.00 C ATOM 1315 CG2 ILE A 85 -0.109 5.576 -10.275 1.00 0.00 C ATOM 1316 CD1 ILE A 85 1.675 4.171 -8.079 1.00 0.00 C ATOM 0 H ILE A 85 1.940 4.308 -11.993 1.00 0.00 H new ATOM 0 HA ILE A 85 1.537 7.143 -11.692 1.00 0.00 H new ATOM 0 HB ILE A 85 1.482 6.560 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.727 3.679 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.111 4.599 -9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.590 5.232 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.565 6.513 -10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.237 4.826 -11.056 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.173 3.246 -7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.001 4.980 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.596 4.045 -7.990 1.00 0.00 H new ATOM 1328 N GLY A 86 4.435 5.752 -11.107 1.00 0.00 N ATOM 1329 CA GLY A 86 5.827 6.034 -10.814 1.00 0.00 C ATOM 1330 C GLY A 86 6.442 5.010 -9.880 1.00 0.00 C ATOM 1331 O GLY A 86 7.121 5.367 -8.916 1.00 0.00 O ATOM 0 H GLY A 86 4.248 4.801 -11.424 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.393 6.058 -11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.907 7.024 -10.366 1.00 0.00 H new ATOM 1335 N ILE A 87 6.206 3.733 -10.166 1.00 0.00 N ATOM 1336 CA ILE A 87 6.741 2.656 -9.345 1.00 0.00 C ATOM 1337 C ILE A 87 7.425 1.598 -10.205 1.00 0.00 C ATOM 1338 O ILE A 87 6.977 0.452 -10.273 1.00 0.00 O ATOM 1339 CB ILE A 87 5.636 1.984 -8.507 1.00 0.00 C ATOM 1340 CG1 ILE A 87 4.904 3.027 -7.659 1.00 0.00 C ATOM 1341 CG2 ILE A 87 6.229 0.896 -7.624 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.786 3.695 -6.629 1.00 0.00 C ATOM 0 H ILE A 87 5.648 3.421 -10.960 1.00 0.00 H new ATOM 0 HA ILE A 87 7.473 3.105 -8.673 1.00 0.00 H new ATOM 0 HB ILE A 87 4.916 1.523 -9.183 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.486 3.789 -8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.066 2.548 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.436 0.431 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.709 0.142 -8.248 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.967 1.335 -6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.201 4.422 -6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.184 2.943 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.610 4.203 -7.130 1.00 0.00 H new ATOM 1354 N THR A 88 8.514 1.988 -10.858 1.00 0.00 N ATOM 1355 CA THR A 88 9.261 1.074 -11.713 1.00 0.00 C ATOM 1356 C THR A 88 10.534 0.594 -11.025 1.00 0.00 C ATOM 1357 O THR A 88 11.130 -0.405 -11.427 1.00 0.00 O ATOM 1358 CB THR A 88 9.636 1.737 -13.052 1.00 0.00 C ATOM 1359 OG1 THR A 88 10.509 2.848 -12.822 1.00 0.00 O ATOM 1360 CG2 THR A 88 8.391 2.209 -13.789 1.00 0.00 C ATOM 0 H THR A 88 8.899 2.931 -10.811 1.00 0.00 H new ATOM 0 HA THR A 88 8.611 0.221 -11.907 1.00 0.00 H new ATOM 0 HB THR A 88 10.146 0.996 -13.668 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.744 3.262 -13.678 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.680 2.674 -14.731 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.742 1.357 -13.989 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.858 2.935 -13.175 1.00 0.00 H new ATOM 1368 N VAL A 89 10.945 1.311 -9.983 1.00 0.00 N ATOM 1369 CA VAL A 89 12.146 0.956 -9.237 1.00 0.00 C ATOM 1370 C VAL A 89 11.880 0.952 -7.736 1.00 0.00 C ATOM 1371 O VAL A 89 10.925 1.571 -7.263 1.00 0.00 O ATOM 1372 CB VAL A 89 13.303 1.927 -9.540 1.00 0.00 C ATOM 1373 CG1 VAL A 89 13.719 1.823 -10.999 1.00 0.00 C ATOM 1374 CG2 VAL A 89 12.905 3.354 -9.191 1.00 0.00 C ATOM 0 H VAL A 89 10.464 2.141 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 89 12.431 -0.047 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 89 14.158 1.651 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.537 2.516 -11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.047 0.806 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.872 2.073 -11.638 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.734 4.027 -9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.036 3.644 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.660 3.414 -8.131 1.00 0.00 H new ATOM 1384 N ASP A 90 12.728 0.253 -6.992 1.00 0.00 N ATOM 1385 CA ASP A 90 12.585 0.169 -5.543 1.00 0.00 C ATOM 1386 C ASP A 90 12.093 1.493 -4.968 1.00 0.00 C ATOM 1387 O ASP A 90 12.642 2.555 -5.265 1.00 0.00 O ATOM 1388 CB ASP A 90 13.918 -0.215 -4.899 1.00 0.00 C ATOM 1389 CG ASP A 90 14.917 0.926 -4.910 1.00 0.00 C ATOM 1390 OD1 ASP A 90 14.738 1.878 -4.122 1.00 0.00 O ATOM 1391 OD2 ASP A 90 15.878 0.866 -5.704 1.00 0.00 O ATOM 0 H ASP A 90 13.523 -0.264 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 90 11.847 -0.601 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.743 -0.531 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.341 -1.069 -5.428 1.00 0.00 H new ATOM 1396 N THR A 91 11.051 1.424 -4.145 1.00 0.00 N ATOM 1397 CA THR A 91 10.482 2.617 -3.531 1.00 0.00 C ATOM 1398 C THR A 91 10.026 2.337 -2.103 1.00 0.00 C ATOM 1399 O THR A 91 9.802 1.186 -1.727 1.00 0.00 O ATOM 1400 CB THR A 91 9.286 3.152 -4.344 1.00 0.00 C ATOM 1401 OG1 THR A 91 9.677 3.367 -5.704 1.00 0.00 O ATOM 1402 CG2 THR A 91 8.765 4.451 -3.748 1.00 0.00 C ATOM 0 H THR A 91 10.584 0.554 -3.888 1.00 0.00 H new ATOM 0 HA THR A 91 11.269 3.371 -3.517 1.00 0.00 H new ATOM 0 HB THR A 91 8.488 2.410 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.922 2.511 -6.113 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.922 4.810 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.442 4.277 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.558 5.199 -3.757 1.00 0.00 H new ATOM 1410 N VAL A 92 9.890 3.396 -1.312 1.00 0.00 N ATOM 1411 CA VAL A 92 9.459 3.263 0.075 1.00 0.00 C ATOM 1412 C VAL A 92 8.165 4.029 0.324 1.00 0.00 C ATOM 1413 O VAL A 92 8.113 5.250 0.173 1.00 0.00 O ATOM 1414 CB VAL A 92 10.539 3.772 1.049 1.00 0.00 C ATOM 1415 CG1 VAL A 92 10.081 3.604 2.490 1.00 0.00 C ATOM 1416 CG2 VAL A 92 11.855 3.049 0.811 1.00 0.00 C ATOM 0 H VAL A 92 10.072 4.355 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 92 9.290 2.201 0.254 1.00 0.00 H new ATOM 0 HB VAL A 92 10.697 4.835 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 92 10.857 3.969 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.165 4.173 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.893 2.549 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.606 3.421 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.715 1.979 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.188 3.227 -0.211 1.00 0.00 H new ATOM 1426 N LEU A 93 7.119 3.303 0.705 1.00 0.00 N ATOM 1427 CA LEU A 93 5.822 3.913 0.976 1.00 0.00 C ATOM 1428 C LEU A 93 5.593 4.060 2.478 1.00 0.00 C ATOM 1429 O LEU A 93 5.923 3.168 3.256 1.00 0.00 O ATOM 1430 CB LEU A 93 4.703 3.074 0.358 1.00 0.00 C ATOM 1431 CG LEU A 93 4.779 2.865 -1.155 1.00 0.00 C ATOM 1432 CD1 LEU A 93 3.644 1.969 -1.628 1.00 0.00 C ATOM 1433 CD2 LEU A 93 4.743 4.202 -1.880 1.00 0.00 C ATOM 0 H LEU A 93 7.144 2.291 0.833 1.00 0.00 H new ATOM 0 HA LEU A 93 5.814 4.906 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.700 2.096 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.749 3.547 0.592 1.00 0.00 H new ATOM 0 HG LEU A 93 5.724 2.373 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.714 1.832 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.715 1.000 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.688 2.432 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.798 4.034 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.815 4.721 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.590 4.810 -1.564 1.00 0.00 H new ATOM 1445 N ASN A 94 5.022 5.193 2.874 1.00 0.00 N ATOM 1446 CA ASN A 94 4.746 5.457 4.283 1.00 0.00 C ATOM 1447 C ASN A 94 3.244 5.482 4.547 1.00 0.00 C ATOM 1448 O ASN A 94 2.497 6.199 3.881 1.00 0.00 O ATOM 1449 CB ASN A 94 5.372 6.787 4.706 1.00 0.00 C ATOM 1450 CG ASN A 94 6.845 6.871 4.353 1.00 0.00 C ATOM 1451 OD1 ASN A 94 7.439 5.899 3.888 1.00 0.00 O ATOM 1452 ND2 ASN A 94 7.440 8.037 4.575 1.00 0.00 N ATOM 0 H ASN A 94 4.742 5.942 2.241 1.00 0.00 H new ATOM 0 HA ASN A 94 5.187 4.652 4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.838 7.606 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.251 6.917 5.781 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.430 8.154 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.907 8.816 4.962 1.00 0.00 H new ATOM 1459 N VAL A 95 2.807 4.693 5.524 1.00 0.00 N ATOM 1460 CA VAL A 95 1.395 4.626 5.879 1.00 0.00 C ATOM 1461 C VAL A 95 1.050 5.646 6.958 1.00 0.00 C ATOM 1462 O VAL A 95 1.360 5.450 8.133 1.00 0.00 O ATOM 1463 CB VAL A 95 1.006 3.220 6.373 1.00 0.00 C ATOM 1464 CG1 VAL A 95 -0.470 3.169 6.733 1.00 0.00 C ATOM 1465 CG2 VAL A 95 1.346 2.174 5.322 1.00 0.00 C ATOM 0 H VAL A 95 3.411 4.091 6.084 1.00 0.00 H new ATOM 0 HA VAL A 95 0.831 4.854 4.975 1.00 0.00 H new ATOM 0 HB VAL A 95 1.580 2.997 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.726 2.168 7.080 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.677 3.891 7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.067 3.412 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.065 1.186 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.800 2.390 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.417 2.195 5.121 1.00 0.00 H new ATOM 1475 N GLU A 96 0.406 6.735 6.552 1.00 0.00 N ATOM 1476 CA GLU A 96 0.018 7.786 7.485 1.00 0.00 C ATOM 1477 C GLU A 96 -1.471 7.705 7.808 1.00 0.00 C ATOM 1478 O GLU A 96 -2.277 7.304 6.970 1.00 0.00 O ATOM 1479 CB GLU A 96 0.351 9.162 6.904 1.00 0.00 C ATOM 1480 CG GLU A 96 1.830 9.361 6.620 1.00 0.00 C ATOM 1481 CD GLU A 96 2.587 9.904 7.818 1.00 0.00 C ATOM 1482 OE1 GLU A 96 2.398 11.092 8.150 1.00 0.00 O ATOM 1483 OE2 GLU A 96 3.368 9.139 8.421 1.00 0.00 O ATOM 0 H GLU A 96 0.142 6.913 5.583 1.00 0.00 H new ATOM 0 HA GLU A 96 0.580 7.643 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.210 9.302 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.017 9.931 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.269 8.410 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.946 10.047 5.781 1.00 0.00 H new ATOM 1490 N GLU A 97 -1.827 8.090 9.031 1.00 0.00 N ATOM 1491 CA GLU A 97 -3.218 8.059 9.465 1.00 0.00 C ATOM 1492 C GLU A 97 -3.988 9.254 8.910 1.00 0.00 C ATOM 1493 O GLU A 97 -3.580 10.403 9.080 1.00 0.00 O ATOM 1494 CB GLU A 97 -3.298 8.052 10.993 1.00 0.00 C ATOM 1495 CG GLU A 97 -3.228 6.661 11.600 1.00 0.00 C ATOM 1496 CD GLU A 97 -3.624 6.643 13.063 1.00 0.00 C ATOM 1497 OE1 GLU A 97 -4.820 6.855 13.357 1.00 0.00 O ATOM 1498 OE2 GLU A 97 -2.740 6.416 13.915 1.00 0.00 O ATOM 0 H GLU A 97 -1.172 8.426 9.737 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.672 7.146 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.484 8.655 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.229 8.528 11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.883 5.992 11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.214 6.274 11.497 1.00 0.00 H new ATOM 1505 N LYS A 98 -5.104 8.974 8.245 1.00 0.00 N ATOM 1506 CA LYS A 98 -5.933 10.023 7.663 1.00 0.00 C ATOM 1507 C LYS A 98 -6.561 10.886 8.753 1.00 0.00 C ATOM 1508 O LYS A 98 -6.586 10.504 9.922 1.00 0.00 O ATOM 1509 CB LYS A 98 -7.029 9.411 6.789 1.00 0.00 C ATOM 1510 CG LYS A 98 -6.610 9.206 5.343 1.00 0.00 C ATOM 1511 CD LYS A 98 -7.676 8.467 4.553 1.00 0.00 C ATOM 1512 CE LYS A 98 -7.552 8.734 3.061 1.00 0.00 C ATOM 1513 NZ LYS A 98 -8.712 8.193 2.301 1.00 0.00 N ATOM 0 H LYS A 98 -5.455 8.028 8.096 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.295 10.654 7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.326 8.451 7.212 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.907 10.057 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.417 10.173 4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.676 8.644 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.592 7.396 4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.664 8.774 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.475 9.808 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.632 8.285 2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.589 8.396 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.771 7.164 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.588 8.640 2.639 1.00 0.00 H new