USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 643 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 29 LYS NZ :NH3+ -122:sc= 0.519 (180deg=-0.248) USER MOD Set 1.2: A 74 CYS SG : rot -20:sc= 0.32 USER MOD Single : A 7 CYS SG : rot -57:sc= -0.408 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 159:sc= -0.243 (180deg=-0.921) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc= 0.218 (180deg=0.167) USER MOD Single : A 17 GLN : amide:sc= 0.648 K(o=0.65,f=-4.6!) USER MOD Single : A 19 SER OG : rot 180:sc= -2.47! USER MOD Single : A 23 ASN : amide:sc=-0.000437 X(o=-0.00044,f=-0.097) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0259) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.708 K(o=-0.71,f=-5.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0473 F(o=-1.3!,f=-0.047) USER MOD Single : A 47 SER OG : rot 89:sc= 0.122 USER MOD Single : A 48 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.39) USER MOD Single : A 58 THR OG1 : rot -96:sc= -0.568 USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0.897 (180deg=0.779) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0.304 USER MOD Single : A 70 TYR OH : rot 162:sc= 0.46 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 85:sc= 1.26 USER MOD Single : B 205 LYS NZ :NH3+ -165:sc= 0.0329 (180deg=-0.791) USER MOD Single : B 207 THR OG1 : rot 39:sc= 0.183 USER MOD Single : B 208 LYS NZ :NH3+ 163:sc= -0.64! (180deg=-0.747!) USER MOD ----------------------------------------------------------------- ATOM 93 N CYS A 7 -15.448 -2.727 -4.821 1.00 0.00 N ATOM 94 CA CYS A 7 -15.019 -3.204 -3.512 1.00 0.00 C ATOM 95 C CYS A 7 -15.527 -2.297 -2.403 1.00 0.00 C ATOM 96 O CYS A 7 -15.519 -1.072 -2.532 1.00 0.00 O ATOM 97 CB CYS A 7 -13.495 -3.289 -3.451 1.00 0.00 C ATOM 98 SG CYS A 7 -12.858 -4.202 -2.023 1.00 0.00 S ATOM 0 HA CYS A 7 -15.442 -4.198 -3.365 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.132 -3.764 -4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.087 -2.279 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.297 -3.656 -0.928 1.00 0.00 H new ATOM 104 N LYS A 8 -15.970 -2.911 -1.316 1.00 0.00 N ATOM 105 CA LYS A 8 -16.409 -2.177 -0.142 1.00 0.00 C ATOM 106 C LYS A 8 -15.200 -1.737 0.677 1.00 0.00 C ATOM 107 O LYS A 8 -14.185 -2.440 0.718 1.00 0.00 O ATOM 108 CB LYS A 8 -17.337 -3.043 0.718 1.00 0.00 C ATOM 109 CG LYS A 8 -18.787 -3.067 0.253 1.00 0.00 C ATOM 110 CD LYS A 8 -18.945 -3.701 -1.118 1.00 0.00 C ATOM 111 CE LYS A 8 -20.401 -3.731 -1.549 1.00 0.00 C ATOM 112 NZ LYS A 8 -20.574 -4.393 -2.868 1.00 0.00 N ATOM 0 H LYS A 8 -16.035 -3.925 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.961 -1.296 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.955 -4.064 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.304 -2.680 1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.389 -3.617 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.174 -2.048 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.359 -3.143 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.548 -4.716 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.991 -4.257 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.786 -2.712 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.581 -4.393 -3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.031 -3.877 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.231 -5.373 -2.812 1.00 0.00 H new ATOM 126 N PRO A 9 -15.282 -0.563 1.323 1.00 0.00 N ATOM 127 CA PRO A 9 -14.192 -0.043 2.149 1.00 0.00 C ATOM 128 C PRO A 9 -13.870 -0.956 3.322 1.00 0.00 C ATOM 129 O PRO A 9 -14.746 -1.290 4.121 1.00 0.00 O ATOM 130 CB PRO A 9 -14.714 1.295 2.670 1.00 0.00 C ATOM 131 CG PRO A 9 -15.878 1.644 1.808 1.00 0.00 C ATOM 132 CD PRO A 9 -16.441 0.345 1.303 1.00 0.00 C ATOM 0 HA PRO A 9 -13.271 0.041 1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.012 1.217 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.943 2.063 2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.627 2.197 2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.570 2.281 0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.247 -0.018 1.941 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.852 0.449 0.299 1.00 0.00 H new ATOM 140 N MET A 10 -12.615 -1.362 3.416 1.00 0.00 N ATOM 141 CA MET A 10 -12.162 -2.163 4.540 1.00 0.00 C ATOM 142 C MET A 10 -12.125 -1.303 5.798 1.00 0.00 C ATOM 143 O MET A 10 -11.849 -0.103 5.732 1.00 0.00 O ATOM 144 CB MET A 10 -10.784 -2.763 4.255 1.00 0.00 C ATOM 145 CG MET A 10 -9.698 -1.739 4.000 1.00 0.00 C ATOM 146 SD MET A 10 -8.091 -2.497 3.706 1.00 0.00 S ATOM 147 CE MET A 10 -8.466 -3.588 2.334 1.00 0.00 C ATOM 0 H MET A 10 -11.892 -1.150 2.728 1.00 0.00 H new ATOM 0 HA MET A 10 -12.860 -2.986 4.693 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.490 -3.384 5.101 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.859 -3.419 3.388 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.972 -1.130 3.138 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.628 -1.067 4.856 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.546 -3.836 1.805 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.926 -4.502 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.155 -3.090 1.651 1.00 0.00 H new ATOM 157 N SER A 11 -12.416 -1.916 6.933 1.00 0.00 N ATOM 158 CA SER A 11 -12.544 -1.192 8.185 1.00 0.00 C ATOM 159 C SER A 11 -11.177 -0.899 8.814 1.00 0.00 C ATOM 160 O SER A 11 -10.139 -1.287 8.272 1.00 0.00 O ATOM 161 CB SER A 11 -13.456 -1.972 9.142 1.00 0.00 C ATOM 162 OG SER A 11 -14.766 -2.084 8.606 1.00 0.00 O ATOM 0 H SER A 11 -12.569 -2.921 7.012 1.00 0.00 H new ATOM 0 HA SER A 11 -13.002 -0.224 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.043 -2.965 9.317 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.495 -1.468 10.108 1.00 0.00 H new ATOM 0 HG SER A 11 -15.333 -2.586 9.229 1.00 0.00 H new ATOM 168 N TYR A 12 -11.193 -0.213 9.957 1.00 0.00 N ATOM 169 CA TYR A 12 -9.974 0.326 10.581 1.00 0.00 C ATOM 170 C TYR A 12 -8.890 -0.741 10.775 1.00 0.00 C ATOM 171 O TYR A 12 -7.718 -0.500 10.472 1.00 0.00 O ATOM 172 CB TYR A 12 -10.331 0.977 11.923 1.00 0.00 C ATOM 173 CG TYR A 12 -9.229 1.835 12.512 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.142 1.265 13.158 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.289 3.220 12.430 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.144 2.048 13.706 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.295 4.010 12.973 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.225 3.420 13.610 1.00 0.00 C ATOM 179 OH TYR A 12 -6.233 4.204 14.156 1.00 0.00 O ATOM 0 H TYR A 12 -12.046 -0.013 10.479 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.559 1.073 9.904 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.222 1.591 11.790 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.587 0.194 12.637 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.074 0.190 13.234 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.127 3.687 11.933 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.305 1.587 14.207 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.356 5.086 12.899 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.440 5.149 14.001 1.00 0.00 H new ATOM 189 N GLU A 13 -9.283 -1.919 11.254 1.00 0.00 N ATOM 190 CA GLU A 13 -8.331 -2.992 11.550 1.00 0.00 C ATOM 191 C GLU A 13 -7.562 -3.406 10.297 1.00 0.00 C ATOM 192 O GLU A 13 -6.398 -3.798 10.367 1.00 0.00 O ATOM 193 CB GLU A 13 -9.062 -4.206 12.134 1.00 0.00 C ATOM 194 CG GLU A 13 -8.133 -5.283 12.670 1.00 0.00 C ATOM 195 CD GLU A 13 -8.881 -6.507 13.153 1.00 0.00 C ATOM 196 OE1 GLU A 13 -9.637 -6.395 14.142 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.727 -7.585 12.543 1.00 0.00 O ATOM 0 H GLU A 13 -10.256 -2.157 11.446 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.618 -2.614 12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.717 -3.871 12.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.699 -4.640 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.432 -5.575 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.544 -4.874 13.491 1.00 0.00 H new ATOM 204 N GLU A 14 -8.212 -3.262 9.153 1.00 0.00 N ATOM 205 CA GLU A 14 -7.664 -3.713 7.884 1.00 0.00 C ATOM 206 C GLU A 14 -6.775 -2.634 7.290 1.00 0.00 C ATOM 207 O GLU A 14 -5.668 -2.912 6.838 1.00 0.00 O ATOM 208 CB GLU A 14 -8.798 -4.055 6.917 1.00 0.00 C ATOM 209 CG GLU A 14 -9.693 -5.187 7.396 1.00 0.00 C ATOM 210 CD GLU A 14 -10.970 -5.294 6.590 1.00 0.00 C ATOM 211 OE1 GLU A 14 -10.968 -5.981 5.549 1.00 0.00 O ATOM 212 OE2 GLU A 14 -11.992 -4.697 7.000 1.00 0.00 O ATOM 0 H GLU A 14 -9.133 -2.830 9.078 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.065 -4.608 8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.407 -3.165 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.370 -4.326 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.148 -6.129 7.334 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.941 -5.031 8.446 1.00 0.00 H new ATOM 219 N LYS A 15 -7.270 -1.399 7.309 1.00 0.00 N ATOM 220 CA LYS A 15 -6.494 -0.249 6.857 1.00 0.00 C ATOM 221 C LYS A 15 -5.190 -0.141 7.644 1.00 0.00 C ATOM 222 O LYS A 15 -4.123 0.106 7.079 1.00 0.00 O ATOM 223 CB LYS A 15 -7.309 1.036 7.016 1.00 0.00 C ATOM 224 CG LYS A 15 -8.443 1.181 6.017 1.00 0.00 C ATOM 225 CD LYS A 15 -9.403 2.287 6.425 1.00 0.00 C ATOM 226 CE LYS A 15 -9.981 2.987 5.209 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.960 4.038 5.587 1.00 0.00 N ATOM 0 H LYS A 15 -8.209 -1.169 7.634 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.255 -0.388 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.722 1.069 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.641 1.891 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.035 1.397 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.984 0.238 5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.211 1.868 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.883 3.011 7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.173 3.435 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.466 2.254 4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.165 4.635 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.839 3.591 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.563 4.625 6.348 1.00 0.00 H new ATOM 241 N ARG A 16 -5.284 -0.336 8.955 1.00 0.00 N ATOM 242 CA ARG A 16 -4.108 -0.331 9.816 1.00 0.00 C ATOM 243 C ARG A 16 -3.175 -1.483 9.458 1.00 0.00 C ATOM 244 O ARG A 16 -1.965 -1.304 9.345 1.00 0.00 O ATOM 245 CB ARG A 16 -4.516 -0.453 11.283 1.00 0.00 C ATOM 246 CG ARG A 16 -3.344 -0.372 12.248 1.00 0.00 C ATOM 247 CD ARG A 16 -3.592 -1.214 13.487 1.00 0.00 C ATOM 248 NE ARG A 16 -3.667 -2.639 13.162 1.00 0.00 N ATOM 249 CZ ARG A 16 -4.167 -3.567 13.976 1.00 0.00 C ATOM 250 NH1 ARG A 16 -4.639 -3.228 15.171 1.00 0.00 N ATOM 251 NH2 ARG A 16 -4.195 -4.838 13.591 1.00 0.00 N ATOM 0 H ARG A 16 -6.164 -0.500 9.445 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.587 0.614 9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.227 0.338 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.033 -1.401 11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.436 -0.712 11.750 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.179 0.666 12.538 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.792 -1.046 14.208 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.521 -0.899 13.962 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.314 -2.941 12.254 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.620 -2.253 15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.021 -3.943 15.790 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.834 -5.101 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.577 -5.551 14.212 1.00 0.00 H new ATOM 265 N GLN A 17 -3.751 -2.668 9.280 1.00 0.00 N ATOM 266 CA GLN A 17 -2.982 -3.863 8.977 1.00 0.00 C ATOM 267 C GLN A 17 -2.323 -3.752 7.606 1.00 0.00 C ATOM 268 O GLN A 17 -1.287 -4.358 7.356 1.00 0.00 O ATOM 269 CB GLN A 17 -3.890 -5.094 9.032 1.00 0.00 C ATOM 270 CG GLN A 17 -3.138 -6.407 9.116 1.00 0.00 C ATOM 271 CD GLN A 17 -2.358 -6.547 10.409 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.751 -6.016 11.451 1.00 0.00 O ATOM 273 NE2 GLN A 17 -1.242 -7.252 10.349 1.00 0.00 N ATOM 0 H GLN A 17 -4.757 -2.823 9.342 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.195 -3.967 9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.550 -5.008 9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.524 -5.106 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.844 -7.233 9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.453 -6.484 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.953 -7.675 9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.670 -7.373 11.185 1.00 0.00 H new ATOM 282 N LEU A 18 -2.933 -2.961 6.741 1.00 0.00 N ATOM 283 CA LEU A 18 -2.415 -2.723 5.398 1.00 0.00 C ATOM 284 C LEU A 18 -1.173 -1.846 5.469 1.00 0.00 C ATOM 285 O LEU A 18 -0.196 -2.052 4.760 1.00 0.00 O ATOM 286 CB LEU A 18 -3.498 -2.058 4.546 1.00 0.00 C ATOM 287 CG LEU A 18 -3.671 -2.604 3.128 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.971 -2.107 2.531 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.514 -2.202 2.235 1.00 0.00 C ATOM 0 H LEU A 18 -3.800 -2.465 6.946 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.139 -3.672 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.450 -2.152 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.275 -0.993 4.478 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.692 -3.692 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.082 -2.503 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.806 -2.442 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.962 -1.018 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.669 -2.606 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.456 -1.115 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.584 -2.595 2.645 1.00 0.00 H new ATOM 301 N SER A 19 -1.210 -0.864 6.345 1.00 0.00 N ATOM 302 CA SER A 19 -0.024 -0.075 6.629 1.00 0.00 C ATOM 303 C SER A 19 1.089 -0.992 7.144 1.00 0.00 C ATOM 304 O SER A 19 2.278 -0.788 6.867 1.00 0.00 O ATOM 305 CB SER A 19 -0.356 1.016 7.656 1.00 0.00 C ATOM 306 OG SER A 19 0.773 1.817 7.959 1.00 0.00 O ATOM 0 H SER A 19 -2.041 -0.592 6.871 1.00 0.00 H new ATOM 0 HA SER A 19 0.321 0.411 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.156 1.647 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.729 0.553 8.570 1.00 0.00 H new ATOM 0 HG SER A 19 0.522 2.501 8.615 1.00 0.00 H new ATOM 312 N LEU A 20 0.684 -2.028 7.862 1.00 0.00 N ATOM 313 CA LEU A 20 1.614 -2.991 8.420 1.00 0.00 C ATOM 314 C LEU A 20 2.106 -3.983 7.364 1.00 0.00 C ATOM 315 O LEU A 20 3.248 -4.440 7.427 1.00 0.00 O ATOM 316 CB LEU A 20 0.956 -3.732 9.584 1.00 0.00 C ATOM 317 CG LEU A 20 0.694 -2.885 10.826 1.00 0.00 C ATOM 318 CD1 LEU A 20 -0.115 -3.684 11.824 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.006 -2.444 11.454 1.00 0.00 C ATOM 0 H LEU A 20 -0.295 -2.222 8.072 1.00 0.00 H new ATOM 0 HA LEU A 20 2.485 -2.446 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.009 -4.148 9.241 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.590 -4.573 9.864 1.00 0.00 H new ATOM 0 HG LEU A 20 0.134 -1.996 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.301 -3.077 12.710 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.066 -3.971 11.375 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.438 -4.580 12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.801 -1.841 12.339 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.586 -3.322 11.739 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.573 -1.853 10.735 1.00 0.00 H new ATOM 331 N ASP A 21 1.257 -4.310 6.392 1.00 0.00 N ATOM 332 CA ASP A 21 1.606 -5.307 5.385 1.00 0.00 C ATOM 333 C ASP A 21 2.509 -4.722 4.292 1.00 0.00 C ATOM 334 O ASP A 21 3.393 -5.415 3.781 1.00 0.00 O ATOM 335 CB ASP A 21 0.347 -5.991 4.808 1.00 0.00 C ATOM 336 CG ASP A 21 -0.630 -5.089 4.092 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.204 -4.217 3.327 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.851 -5.302 4.273 1.00 0.00 O ATOM 0 H ASP A 21 0.329 -3.902 6.281 1.00 0.00 H new ATOM 0 HA ASP A 21 2.188 -6.084 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.667 -6.769 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.179 -6.487 5.624 1.00 0.00 H new ATOM 343 N ILE A 22 2.327 -3.447 3.966 1.00 0.00 N ATOM 344 CA ILE A 22 3.217 -2.769 3.023 1.00 0.00 C ATOM 345 C ILE A 22 4.580 -2.545 3.660 1.00 0.00 C ATOM 346 O ILE A 22 5.619 -2.644 3.002 1.00 0.00 O ATOM 347 CB ILE A 22 2.628 -1.420 2.556 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.398 -1.664 1.689 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.652 -0.602 1.792 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.489 -0.476 1.610 1.00 0.00 C ATOM 0 H ILE A 22 1.577 -2.863 4.336 1.00 0.00 H new ATOM 0 HA ILE A 22 3.325 -3.410 2.148 1.00 0.00 H new ATOM 0 HB ILE A 22 2.341 -0.852 3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.718 -1.936 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.843 -2.513 2.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.204 0.341 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.509 -0.400 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.980 -1.158 0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.367 -0.714 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.141 -0.217 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.030 0.369 1.184 1.00 0.00 H new ATOM 362 N ASN A 23 4.563 -2.271 4.958 1.00 0.00 N ATOM 363 CA ASN A 23 5.782 -2.116 5.741 1.00 0.00 C ATOM 364 C ASN A 23 6.647 -3.379 5.658 1.00 0.00 C ATOM 365 O ASN A 23 7.870 -3.322 5.796 1.00 0.00 O ATOM 366 CB ASN A 23 5.405 -1.806 7.197 1.00 0.00 C ATOM 367 CG ASN A 23 6.544 -2.019 8.176 1.00 0.00 C ATOM 368 OD1 ASN A 23 6.713 -3.111 8.720 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.323 -0.978 8.418 1.00 0.00 N ATOM 0 H ASN A 23 3.705 -2.150 5.497 1.00 0.00 H new ATOM 0 HA ASN A 23 6.369 -1.291 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.067 -0.772 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.564 -2.435 7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.098 -1.063 9.076 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.149 -0.090 7.946 1.00 0.00 H new ATOM 376 N LYS A 24 6.001 -4.511 5.400 1.00 0.00 N ATOM 377 CA LYS A 24 6.681 -5.803 5.345 1.00 0.00 C ATOM 378 C LYS A 24 7.391 -6.024 4.007 1.00 0.00 C ATOM 379 O LYS A 24 8.386 -6.744 3.944 1.00 0.00 O ATOM 380 CB LYS A 24 5.673 -6.925 5.581 1.00 0.00 C ATOM 381 CG LYS A 24 5.102 -6.952 6.991 1.00 0.00 C ATOM 382 CD LYS A 24 4.023 -8.014 7.140 1.00 0.00 C ATOM 383 CE LYS A 24 3.331 -7.934 8.496 1.00 0.00 C ATOM 384 NZ LYS A 24 4.267 -8.161 9.630 1.00 0.00 N ATOM 0 H LYS A 24 4.998 -4.561 5.224 1.00 0.00 H new ATOM 0 HA LYS A 24 7.440 -5.809 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.854 -6.820 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.154 -7.882 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.903 -7.144 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.686 -5.974 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.284 -7.895 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.466 -9.002 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.865 -6.955 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.531 -8.674 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.738 -8.147 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.731 -9.085 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.987 -7.411 9.641 1.00 0.00 H new ATOM 398 N LEU A 25 6.872 -5.419 2.946 1.00 0.00 N ATOM 399 CA LEU A 25 7.428 -5.601 1.603 1.00 0.00 C ATOM 400 C LEU A 25 8.865 -5.091 1.503 1.00 0.00 C ATOM 401 O LEU A 25 9.172 -3.989 1.963 1.00 0.00 O ATOM 402 CB LEU A 25 6.578 -4.860 0.578 1.00 0.00 C ATOM 403 CG LEU A 25 5.125 -5.294 0.482 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.501 -4.685 -0.753 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.017 -6.800 0.445 1.00 0.00 C ATOM 0 H LEU A 25 6.065 -4.796 2.986 1.00 0.00 H new ATOM 0 HA LEU A 25 7.425 -6.672 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.604 -3.796 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.039 -4.981 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 25 4.590 -4.944 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.458 -4.995 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.553 -3.598 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.041 -5.022 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.968 -7.088 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.556 -7.182 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.449 -7.218 1.354 1.00 0.00 H new ATOM 417 N PRO A 26 9.772 -5.898 0.915 1.00 0.00 N ATOM 418 CA PRO A 26 11.131 -5.445 0.580 1.00 0.00 C ATOM 419 C PRO A 26 11.093 -4.278 -0.405 1.00 0.00 C ATOM 420 O PRO A 26 10.176 -4.195 -1.217 1.00 0.00 O ATOM 421 CB PRO A 26 11.774 -6.682 -0.061 1.00 0.00 C ATOM 422 CG PRO A 26 10.973 -7.831 0.447 1.00 0.00 C ATOM 423 CD PRO A 26 9.567 -7.319 0.567 1.00 0.00 C ATOM 0 HA PRO A 26 11.681 -5.081 1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.741 -6.627 -1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.823 -6.775 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.025 -8.678 -0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.349 -8.176 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.013 -7.433 -0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.007 -7.849 1.338 1.00 0.00 H new ATOM 431 N GLY A 27 12.102 -3.404 -0.338 1.00 0.00 N ATOM 432 CA GLY A 27 12.113 -2.153 -1.098 1.00 0.00 C ATOM 433 C GLY A 27 11.656 -2.267 -2.548 1.00 0.00 C ATOM 434 O GLY A 27 10.883 -1.431 -3.018 1.00 0.00 O ATOM 0 H GLY A 27 12.929 -3.544 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.474 -1.432 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.125 -1.748 -1.084 1.00 0.00 H new ATOM 438 N GLU A 28 12.120 -3.289 -3.259 1.00 0.00 N ATOM 439 CA GLU A 28 11.754 -3.474 -4.664 1.00 0.00 C ATOM 440 C GLU A 28 10.245 -3.679 -4.810 1.00 0.00 C ATOM 441 O GLU A 28 9.591 -3.051 -5.647 1.00 0.00 O ATOM 442 CB GLU A 28 12.499 -4.672 -5.253 1.00 0.00 C ATOM 443 CG GLU A 28 12.293 -4.846 -6.748 1.00 0.00 C ATOM 444 CD GLU A 28 12.974 -3.762 -7.559 1.00 0.00 C ATOM 445 OE1 GLU A 28 12.380 -2.678 -7.749 1.00 0.00 O ATOM 446 OE2 GLU A 28 14.115 -3.991 -8.013 1.00 0.00 O ATOM 0 H GLU A 28 12.749 -4.002 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 28 12.037 -2.574 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.565 -4.560 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.173 -5.578 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.678 -5.819 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.225 -4.842 -6.967 1.00 0.00 H new ATOM 453 N LYS A 29 9.704 -4.562 -3.988 1.00 0.00 N ATOM 454 CA LYS A 29 8.277 -4.838 -3.970 1.00 0.00 C ATOM 455 C LYS A 29 7.512 -3.656 -3.398 1.00 0.00 C ATOM 456 O LYS A 29 6.418 -3.318 -3.850 1.00 0.00 O ATOM 457 CB LYS A 29 8.027 -6.088 -3.127 1.00 0.00 C ATOM 458 CG LYS A 29 8.458 -7.382 -3.801 1.00 0.00 C ATOM 459 CD LYS A 29 7.608 -7.672 -5.028 1.00 0.00 C ATOM 460 CE LYS A 29 7.825 -9.077 -5.568 1.00 0.00 C ATOM 461 NZ LYS A 29 7.381 -10.121 -4.613 1.00 0.00 N ATOM 0 H LYS A 29 10.241 -5.108 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 29 7.927 -5.005 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.558 -5.988 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.965 -6.149 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.507 -7.313 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.376 -8.208 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.556 -7.542 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.841 -6.947 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.282 -9.191 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.882 -9.219 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.180 -10.747 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.037 -9.670 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.614 -10.679 -5.040 1.00 0.00 H new ATOM 475 N LEU A 30 8.122 -3.026 -2.414 1.00 0.00 N ATOM 476 CA LEU A 30 7.554 -1.865 -1.754 1.00 0.00 C ATOM 477 C LEU A 30 7.310 -0.740 -2.750 1.00 0.00 C ATOM 478 O LEU A 30 6.281 -0.076 -2.688 1.00 0.00 O ATOM 479 CB LEU A 30 8.499 -1.414 -0.636 1.00 0.00 C ATOM 480 CG LEU A 30 8.068 -0.177 0.138 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.585 -0.222 0.455 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.885 -0.066 1.417 1.00 0.00 C ATOM 0 H LEU A 30 9.031 -3.306 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 30 6.589 -2.131 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.617 -2.237 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.480 -1.224 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 30 8.248 0.703 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.304 0.674 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.016 -0.269 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.368 -1.104 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.575 0.820 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.723 -0.952 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.943 0.013 1.167 1.00 0.00 H new ATOM 494 N GLY A 31 8.239 -0.554 -3.682 1.00 0.00 N ATOM 495 CA GLY A 31 8.106 0.501 -4.675 1.00 0.00 C ATOM 496 C GLY A 31 6.809 0.419 -5.463 1.00 0.00 C ATOM 497 O GLY A 31 6.319 1.431 -5.963 1.00 0.00 O ATOM 0 H GLY A 31 9.085 -1.116 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.161 1.469 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.948 0.450 -5.366 1.00 0.00 H new ATOM 501 N ARG A 32 6.242 -0.777 -5.569 1.00 0.00 N ATOM 502 CA ARG A 32 4.984 -0.951 -6.280 1.00 0.00 C ATOM 503 C ARG A 32 3.842 -0.269 -5.539 1.00 0.00 C ATOM 504 O ARG A 32 3.116 0.518 -6.128 1.00 0.00 O ATOM 505 CB ARG A 32 4.663 -2.432 -6.479 1.00 0.00 C ATOM 506 CG ARG A 32 3.312 -2.687 -7.146 1.00 0.00 C ATOM 507 CD ARG A 32 3.218 -2.006 -8.508 1.00 0.00 C ATOM 508 NE ARG A 32 4.281 -2.425 -9.419 1.00 0.00 N ATOM 509 CZ ARG A 32 4.423 -1.943 -10.652 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.559 -1.051 -11.120 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.426 -2.349 -11.418 1.00 0.00 N ATOM 0 H ARG A 32 6.631 -1.634 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 32 5.095 -0.486 -7.259 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.448 -2.886 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.679 -2.931 -5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.161 -3.760 -7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.513 -2.322 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.250 -2.231 -8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.264 -0.925 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 32 4.949 -3.123 -9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.786 -0.734 -10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.668 -0.682 -12.065 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.094 -3.034 -11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.530 -1.977 -12.362 1.00 0.00 H new ATOM 525 N VAL A 33 3.705 -0.549 -4.248 1.00 0.00 N ATOM 526 CA VAL A 33 2.588 -0.009 -3.471 1.00 0.00 C ATOM 527 C VAL A 33 2.646 1.507 -3.410 1.00 0.00 C ATOM 528 O VAL A 33 1.640 2.166 -3.658 1.00 0.00 O ATOM 529 CB VAL A 33 2.508 -0.591 -2.042 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.275 -1.477 -1.907 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.761 -1.369 -1.684 1.00 0.00 C ATOM 0 H VAL A 33 4.345 -1.141 -3.718 1.00 0.00 H new ATOM 0 HA VAL A 33 1.683 -0.314 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 33 2.428 0.243 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.227 -1.883 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.380 -0.887 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.335 -2.296 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.668 -1.763 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.889 -2.194 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.627 -0.709 -1.738 1.00 0.00 H new ATOM 541 N VAL A 34 3.826 2.060 -3.123 1.00 0.00 N ATOM 542 CA VAL A 34 4.004 3.520 -3.131 1.00 0.00 C ATOM 543 C VAL A 34 3.500 4.090 -4.454 1.00 0.00 C ATOM 544 O VAL A 34 2.837 5.126 -4.491 1.00 0.00 O ATOM 545 CB VAL A 34 5.491 3.944 -2.898 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.387 2.741 -2.891 1.00 0.00 C ATOM 547 CG2 VAL A 34 5.996 4.940 -3.940 1.00 0.00 C ATOM 0 H VAL A 34 4.665 1.531 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 34 3.423 3.925 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 34 5.518 4.439 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.418 3.056 -2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.083 2.065 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.312 2.226 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.033 5.196 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.930 4.493 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.385 5.842 -3.907 1.00 0.00 H new ATOM 557 N HIS A 35 3.806 3.375 -5.529 1.00 0.00 N ATOM 558 CA HIS A 35 3.387 3.770 -6.866 1.00 0.00 C ATOM 559 C HIS A 35 1.880 3.581 -7.048 1.00 0.00 C ATOM 560 O HIS A 35 1.217 4.427 -7.646 1.00 0.00 O ATOM 561 CB HIS A 35 4.156 2.964 -7.913 1.00 0.00 C ATOM 562 CG HIS A 35 3.971 3.453 -9.320 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.748 4.445 -9.878 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.102 3.074 -10.288 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.363 4.656 -11.123 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.369 3.836 -11.395 1.00 0.00 N ATOM 0 H HIS A 35 4.348 2.511 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 35 3.610 4.829 -6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.218 2.989 -7.668 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.841 1.922 -7.857 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.341 2.313 -10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.790 5.378 -11.803 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.877 3.778 -12.287 1.00 0.00 H new ATOM 575 N ILE A 36 1.346 2.469 -6.539 1.00 0.00 N ATOM 576 CA ILE A 36 -0.085 2.187 -6.647 1.00 0.00 C ATOM 577 C ILE A 36 -0.907 3.308 -6.025 1.00 0.00 C ATOM 578 O ILE A 36 -1.804 3.849 -6.668 1.00 0.00 O ATOM 579 CB ILE A 36 -0.498 0.841 -5.992 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.284 -0.327 -6.597 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.996 0.614 -6.169 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.206 -1.694 -6.163 1.00 0.00 C ATOM 0 H ILE A 36 1.882 1.752 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.289 2.114 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.264 0.893 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.229 -0.262 -7.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.334 -0.226 -6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.278 -0.332 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.546 1.427 -5.695 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.236 0.584 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.401 -2.465 -6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.125 -1.782 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.247 -1.819 -6.460 1.00 0.00 H new ATOM 594 N ILE A 37 -0.588 3.674 -4.787 1.00 0.00 N ATOM 595 CA ILE A 37 -1.341 4.716 -4.097 1.00 0.00 C ATOM 596 C ILE A 37 -1.253 6.037 -4.855 1.00 0.00 C ATOM 597 O ILE A 37 -2.268 6.670 -5.121 1.00 0.00 O ATOM 598 CB ILE A 37 -0.870 4.942 -2.642 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.023 3.673 -1.805 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.685 6.056 -2.016 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.284 3.117 -1.299 1.00 0.00 C ATOM 0 H ILE A 37 0.177 3.270 -4.247 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.373 4.366 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 37 0.186 5.213 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.670 3.886 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.523 2.912 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.354 6.217 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.548 6.973 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.740 5.781 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.094 2.217 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.927 2.871 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.777 3.860 -0.672 1.00 0.00 H new ATOM 613 N GLN A 38 -0.038 6.435 -5.208 1.00 0.00 N ATOM 614 CA GLN A 38 0.189 7.687 -5.932 1.00 0.00 C ATOM 615 C GLN A 38 -0.569 7.724 -7.262 1.00 0.00 C ATOM 616 O GLN A 38 -1.039 8.780 -7.686 1.00 0.00 O ATOM 617 CB GLN A 38 1.686 7.907 -6.185 1.00 0.00 C ATOM 618 CG GLN A 38 2.478 8.265 -4.931 1.00 0.00 C ATOM 619 CD GLN A 38 3.595 9.252 -5.209 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.520 10.053 -6.140 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.630 9.227 -4.383 1.00 0.00 N ATOM 0 H GLN A 38 0.812 5.909 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.192 8.491 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.107 7.002 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.807 8.703 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.802 8.687 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.899 7.357 -4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.659 8.549 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.398 9.886 -4.508 1.00 0.00 H new ATOM 630 N SER A 39 -0.683 6.576 -7.914 1.00 0.00 N ATOM 631 CA SER A 39 -1.361 6.496 -9.200 1.00 0.00 C ATOM 632 C SER A 39 -2.879 6.567 -9.029 1.00 0.00 C ATOM 633 O SER A 39 -3.577 7.159 -9.855 1.00 0.00 O ATOM 634 CB SER A 39 -0.968 5.204 -9.928 1.00 0.00 C ATOM 635 OG SER A 39 -1.556 5.132 -11.220 1.00 0.00 O ATOM 0 H SER A 39 -0.315 5.687 -7.574 1.00 0.00 H new ATOM 0 HA SER A 39 -1.049 7.350 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.117 5.152 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.280 4.343 -9.337 1.00 0.00 H new ATOM 0 HG SER A 39 -1.284 4.298 -11.657 1.00 0.00 H new ATOM 641 N ARG A 40 -3.387 5.972 -7.958 1.00 0.00 N ATOM 642 CA ARG A 40 -4.827 5.922 -7.741 1.00 0.00 C ATOM 643 C ARG A 40 -5.316 7.174 -7.021 1.00 0.00 C ATOM 644 O ARG A 40 -6.412 7.668 -7.291 1.00 0.00 O ATOM 645 CB ARG A 40 -5.215 4.682 -6.941 1.00 0.00 C ATOM 646 CG ARG A 40 -4.637 3.388 -7.496 1.00 0.00 C ATOM 647 CD ARG A 40 -5.458 2.189 -7.086 1.00 0.00 C ATOM 648 NE ARG A 40 -6.821 2.246 -7.608 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.473 1.195 -8.101 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.908 -0.005 -8.095 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.694 1.347 -8.594 1.00 0.00 N ATOM 0 H ARG A 40 -2.830 5.521 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.304 5.873 -8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.881 4.806 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.302 4.602 -6.916 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.595 3.445 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.613 3.266 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.973 1.280 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.490 2.128 -5.998 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.302 3.145 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.970 -0.125 -7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.411 -0.807 -8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.132 2.268 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.195 0.543 -8.972 1.00 0.00 H new ATOM 665 N GLU A 41 -4.503 7.674 -6.101 1.00 0.00 N ATOM 666 CA GLU A 41 -4.832 8.878 -5.348 1.00 0.00 C ATOM 667 C GLU A 41 -3.936 10.039 -5.786 1.00 0.00 C ATOM 668 O GLU A 41 -2.891 10.282 -5.181 1.00 0.00 O ATOM 669 CB GLU A 41 -4.651 8.644 -3.846 1.00 0.00 C ATOM 670 CG GLU A 41 -5.323 7.390 -3.311 1.00 0.00 C ATOM 671 CD GLU A 41 -6.779 7.285 -3.701 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.589 8.122 -3.257 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.124 6.357 -4.450 1.00 0.00 O ATOM 0 H GLU A 41 -3.603 7.261 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.875 9.125 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.585 8.589 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.043 9.507 -3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.790 6.514 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.242 7.377 -2.224 1.00 0.00 H new ATOM 680 N PRO A 42 -4.337 10.782 -6.834 1.00 0.00 N ATOM 681 CA PRO A 42 -3.538 11.894 -7.372 1.00 0.00 C ATOM 682 C PRO A 42 -3.289 12.994 -6.342 1.00 0.00 C ATOM 683 O PRO A 42 -2.326 13.754 -6.447 1.00 0.00 O ATOM 684 CB PRO A 42 -4.393 12.436 -8.521 1.00 0.00 C ATOM 685 CG PRO A 42 -5.329 11.332 -8.867 1.00 0.00 C ATOM 686 CD PRO A 42 -5.592 10.601 -7.583 1.00 0.00 C ATOM 0 HA PRO A 42 -2.547 11.558 -7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.936 13.332 -8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.775 12.710 -9.376 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.254 11.722 -9.291 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.892 10.668 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.445 11.019 -7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.810 9.547 -7.756 1.00 0.00 H new ATOM 694 N SER A 43 -4.152 13.053 -5.335 1.00 0.00 N ATOM 695 CA SER A 43 -4.082 14.081 -4.306 1.00 0.00 C ATOM 696 C SER A 43 -2.788 13.991 -3.494 1.00 0.00 C ATOM 697 O SER A 43 -2.393 14.955 -2.833 1.00 0.00 O ATOM 698 CB SER A 43 -5.296 13.951 -3.388 1.00 0.00 C ATOM 699 OG SER A 43 -6.497 13.937 -4.144 1.00 0.00 O ATOM 0 H SER A 43 -4.918 12.391 -5.210 1.00 0.00 H new ATOM 0 HA SER A 43 -4.085 15.056 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.219 13.035 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.315 14.781 -2.682 1.00 0.00 H new ATOM 0 HG SER A 43 -7.263 13.851 -3.539 1.00 0.00 H new ATOM 705 N LEU A 44 -2.125 12.840 -3.545 1.00 0.00 N ATOM 706 CA LEU A 44 -0.874 12.658 -2.825 1.00 0.00 C ATOM 707 C LEU A 44 0.273 12.357 -3.782 1.00 0.00 C ATOM 708 O LEU A 44 1.361 11.963 -3.361 1.00 0.00 O ATOM 709 CB LEU A 44 -1.012 11.563 -1.757 1.00 0.00 C ATOM 710 CG LEU A 44 -1.510 10.200 -2.242 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.353 9.332 -2.706 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.290 9.506 -1.136 1.00 0.00 C ATOM 0 H LEU A 44 -2.433 12.025 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.639 13.593 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.040 11.423 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.694 11.922 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.172 10.358 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.734 8.369 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.167 9.827 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.340 9.177 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.640 8.537 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.644 9.363 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.145 10.120 -0.854 1.00 0.00 H new ATOM 724 N LYS A 45 0.043 12.581 -5.074 1.00 0.00 N ATOM 725 CA LYS A 45 1.107 12.365 -6.079 1.00 0.00 C ATOM 726 C LYS A 45 2.139 13.488 -5.999 1.00 0.00 C ATOM 727 O LYS A 45 3.114 13.515 -6.751 1.00 0.00 O ATOM 728 CB LYS A 45 0.572 12.234 -7.535 1.00 0.00 C ATOM 729 CG LYS A 45 1.545 11.562 -8.483 1.00 0.00 C ATOM 730 CD LYS A 45 0.881 11.255 -9.811 1.00 0.00 C ATOM 731 CE LYS A 45 1.914 10.942 -10.873 1.00 0.00 C ATOM 732 NZ LYS A 45 2.610 9.652 -10.623 1.00 0.00 N ATOM 0 H LYS A 45 -0.846 12.905 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 45 1.571 11.409 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.359 11.667 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.334 13.227 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.408 12.209 -8.644 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.917 10.640 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.204 10.409 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.277 12.106 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.429 10.907 -11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.648 11.747 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.307 9.482 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.096 9.692 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.915 8.879 -10.614 1.00 0.00 H new ATOM 746 N ASN A 46 1.929 14.409 -5.069 1.00 0.00 N ATOM 747 CA ASN A 46 2.829 15.532 -4.899 1.00 0.00 C ATOM 748 C ASN A 46 3.909 15.181 -3.880 1.00 0.00 C ATOM 749 O ASN A 46 4.884 15.913 -3.707 1.00 0.00 O ATOM 750 CB ASN A 46 2.044 16.762 -4.444 1.00 0.00 C ATOM 751 CG ASN A 46 2.833 18.049 -4.581 1.00 0.00 C ATOM 752 OD1 ASN A 46 3.634 18.149 -5.631 1.00 0.00 O flip ATOM 753 ND2 ASN A 46 2.692 18.961 -3.765 1.00 0.00 N flip ATOM 0 H ASN A 46 1.141 14.397 -4.422 1.00 0.00 H new ATOM 0 HA ASN A 46 3.308 15.757 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.128 16.839 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.747 16.633 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.064 18.841 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.203 19.836 -3.884 1.00 0.00 H new ATOM 760 N SER A 47 3.733 14.043 -3.220 1.00 0.00 N ATOM 761 CA SER A 47 4.682 13.585 -2.218 1.00 0.00 C ATOM 762 C SER A 47 5.952 13.055 -2.882 1.00 0.00 C ATOM 763 O SER A 47 5.888 12.406 -3.929 1.00 0.00 O ATOM 764 CB SER A 47 4.047 12.484 -1.365 1.00 0.00 C ATOM 765 OG SER A 47 2.824 12.920 -0.802 1.00 0.00 O ATOM 0 H SER A 47 2.938 13.420 -3.363 1.00 0.00 H new ATOM 0 HA SER A 47 4.948 14.429 -1.582 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.874 11.599 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.734 12.193 -0.570 1.00 0.00 H new ATOM 0 HG SER A 47 2.091 12.727 -1.423 1.00 0.00 H new ATOM 771 N ASN A 48 7.101 13.349 -2.276 1.00 0.00 N ATOM 772 CA ASN A 48 8.376 12.825 -2.755 1.00 0.00 C ATOM 773 C ASN A 48 8.342 11.307 -2.685 1.00 0.00 C ATOM 774 O ASN A 48 7.955 10.743 -1.668 1.00 0.00 O ATOM 775 CB ASN A 48 9.533 13.342 -1.892 1.00 0.00 C ATOM 776 CG ASN A 48 9.602 14.852 -1.826 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.211 15.551 -2.761 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.110 15.365 -0.719 1.00 0.00 N ATOM 0 H ASN A 48 7.174 13.947 -1.453 1.00 0.00 H new ATOM 0 HA ASN A 48 8.531 13.156 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.429 12.945 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.473 12.959 -2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.190 16.377 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.422 14.749 0.032 1.00 0.00 H new ATOM 785 N PRO A 49 8.738 10.624 -3.770 1.00 0.00 N ATOM 786 CA PRO A 49 8.648 9.166 -3.857 1.00 0.00 C ATOM 787 C PRO A 49 9.427 8.452 -2.760 1.00 0.00 C ATOM 788 O PRO A 49 9.084 7.335 -2.396 1.00 0.00 O ATOM 789 CB PRO A 49 9.224 8.824 -5.232 1.00 0.00 C ATOM 790 CG PRO A 49 9.949 10.048 -5.686 1.00 0.00 C ATOM 791 CD PRO A 49 9.297 11.216 -4.999 1.00 0.00 C ATOM 0 HA PRO A 49 7.617 8.836 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.899 7.970 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.432 8.556 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.007 9.989 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.890 10.154 -6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.017 12.003 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.520 11.663 -5.619 1.00 0.00 H new ATOM 799 N ASP A 50 10.451 9.099 -2.218 1.00 0.00 N ATOM 800 CA ASP A 50 11.249 8.502 -1.152 1.00 0.00 C ATOM 801 C ASP A 50 10.496 8.569 0.176 1.00 0.00 C ATOM 802 O ASP A 50 10.633 7.689 1.021 1.00 0.00 O ATOM 803 CB ASP A 50 12.605 9.208 -1.013 1.00 0.00 C ATOM 804 CG ASP A 50 13.416 9.216 -2.290 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.075 9.986 -3.215 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.412 8.467 -2.373 1.00 0.00 O ATOM 0 H ASP A 50 10.749 10.034 -2.497 1.00 0.00 H new ATOM 0 HA ASP A 50 11.428 7.459 -1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.439 10.236 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.182 8.718 -0.229 1.00 0.00 H new ATOM 811 N GLU A 51 9.666 9.597 0.319 1.00 0.00 N ATOM 812 CA GLU A 51 8.915 9.851 1.549 1.00 0.00 C ATOM 813 C GLU A 51 7.460 10.138 1.205 1.00 0.00 C ATOM 814 O GLU A 51 7.007 11.278 1.310 1.00 0.00 O ATOM 815 CB GLU A 51 9.495 11.060 2.297 1.00 0.00 C ATOM 816 CG GLU A 51 10.571 10.715 3.306 1.00 0.00 C ATOM 817 CD GLU A 51 11.114 11.942 4.002 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.522 12.372 5.014 1.00 0.00 O ATOM 819 OE2 GLU A 51 12.140 12.489 3.537 1.00 0.00 O ATOM 0 H GLU A 51 9.493 10.282 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 51 8.986 8.969 2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.907 11.758 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.684 11.577 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.164 10.028 4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.386 10.194 2.803 1.00 0.00 H new ATOM 826 N ILE A 52 6.728 9.122 0.774 1.00 0.00 N ATOM 827 CA ILE A 52 5.387 9.348 0.270 1.00 0.00 C ATOM 828 C ILE A 52 4.389 9.488 1.413 1.00 0.00 C ATOM 829 O ILE A 52 4.533 8.853 2.460 1.00 0.00 O ATOM 830 CB ILE A 52 4.938 8.239 -0.700 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.422 7.029 0.042 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.087 7.823 -1.595 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.462 6.222 -0.793 1.00 0.00 C ATOM 0 H ILE A 52 7.035 8.149 0.763 1.00 0.00 H new ATOM 0 HA ILE A 52 5.413 10.284 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 52 4.128 8.646 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.262 6.400 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.925 7.350 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.753 7.039 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.428 8.682 -2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.908 7.448 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.116 5.362 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.609 6.842 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.966 5.878 -1.696 1.00 0.00 H new ATOM 845 N GLU A 53 3.393 10.335 1.208 1.00 0.00 N ATOM 846 CA GLU A 53 2.407 10.625 2.227 1.00 0.00 C ATOM 847 C GLU A 53 1.116 9.866 1.928 1.00 0.00 C ATOM 848 O GLU A 53 0.389 10.212 0.998 1.00 0.00 O ATOM 849 CB GLU A 53 2.136 12.129 2.237 1.00 0.00 C ATOM 850 CG GLU A 53 1.925 12.733 3.615 1.00 0.00 C ATOM 851 CD GLU A 53 0.991 11.929 4.487 1.00 0.00 C ATOM 852 OE1 GLU A 53 -0.238 12.016 4.288 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.486 11.243 5.404 1.00 0.00 O ATOM 0 H GLU A 53 3.249 10.837 0.332 1.00 0.00 H new ATOM 0 HA GLU A 53 2.780 10.312 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.973 12.637 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.253 12.328 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.889 12.823 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.528 13.742 3.504 1.00 0.00 H new ATOM 860 N ILE A 54 0.839 8.836 2.709 1.00 0.00 N ATOM 861 CA ILE A 54 -0.381 8.059 2.528 1.00 0.00 C ATOM 862 C ILE A 54 -1.398 8.407 3.599 1.00 0.00 C ATOM 863 O ILE A 54 -1.057 8.487 4.780 1.00 0.00 O ATOM 864 CB ILE A 54 -0.125 6.541 2.582 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.816 6.096 1.472 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.437 5.789 2.465 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.173 4.631 1.559 1.00 0.00 C ATOM 0 H ILE A 54 1.437 8.517 3.471 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.762 8.314 1.539 1.00 0.00 H new ATOM 0 HB ILE A 54 0.345 6.317 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.351 6.295 0.506 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.728 6.691 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.246 4.717 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.093 6.071 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.916 6.038 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.846 4.371 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.665 4.432 2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.266 4.031 1.487 1.00 0.00 H new ATOM 879 N ASP A 55 -2.644 8.601 3.192 1.00 0.00 N ATOM 880 CA ASP A 55 -3.708 8.845 4.147 1.00 0.00 C ATOM 881 C ASP A 55 -4.751 7.752 4.023 1.00 0.00 C ATOM 882 O ASP A 55 -5.661 7.836 3.200 1.00 0.00 O ATOM 883 CB ASP A 55 -4.344 10.219 3.938 1.00 0.00 C ATOM 884 CG ASP A 55 -5.262 10.591 5.080 1.00 0.00 C ATOM 885 OD1 ASP A 55 -4.758 10.891 6.181 1.00 0.00 O ATOM 886 OD2 ASP A 55 -6.490 10.604 4.878 1.00 0.00 O ATOM 0 H ASP A 55 -2.939 8.594 2.216 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.284 8.834 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.561 10.971 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.906 10.221 3.004 1.00 0.00 H new ATOM 891 N PHE A 56 -4.616 6.728 4.853 1.00 0.00 N ATOM 892 CA PHE A 56 -5.423 5.521 4.743 1.00 0.00 C ATOM 893 C PHE A 56 -6.899 5.767 5.035 1.00 0.00 C ATOM 894 O PHE A 56 -7.706 4.849 4.968 1.00 0.00 O ATOM 895 CB PHE A 56 -4.872 4.447 5.674 1.00 0.00 C ATOM 896 CG PHE A 56 -4.048 3.428 4.955 1.00 0.00 C ATOM 897 CD1 PHE A 56 -4.649 2.314 4.417 1.00 0.00 C ATOM 898 CD2 PHE A 56 -2.683 3.591 4.797 1.00 0.00 C ATOM 899 CE1 PHE A 56 -3.917 1.374 3.735 1.00 0.00 C ATOM 900 CE2 PHE A 56 -1.939 2.650 4.110 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.563 1.538 3.577 1.00 0.00 C ATOM 0 H PHE A 56 -3.945 6.710 5.621 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.361 5.184 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.266 4.919 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.700 3.949 6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.714 2.177 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.195 4.460 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.407 0.504 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.874 2.783 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.987 0.800 3.038 1.00 0.00 H new ATOM 911 N GLU A 57 -7.246 7.001 5.344 1.00 0.00 N ATOM 912 CA GLU A 57 -8.617 7.353 5.636 1.00 0.00 C ATOM 913 C GLU A 57 -9.269 8.054 4.448 1.00 0.00 C ATOM 914 O GLU A 57 -10.430 8.455 4.513 1.00 0.00 O ATOM 915 CB GLU A 57 -8.637 8.247 6.863 1.00 0.00 C ATOM 916 CG GLU A 57 -8.095 7.563 8.108 1.00 0.00 C ATOM 917 CD GLU A 57 -9.038 6.523 8.685 1.00 0.00 C ATOM 918 OE1 GLU A 57 -9.749 5.845 7.911 1.00 0.00 O ATOM 919 OE2 GLU A 57 -9.070 6.387 9.928 1.00 0.00 O ATOM 0 H GLU A 57 -6.590 7.780 5.399 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.190 6.446 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.049 9.142 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.660 8.573 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.145 7.087 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.890 8.317 8.868 1.00 0.00 H new ATOM 926 N THR A 58 -8.517 8.209 3.363 1.00 0.00 N ATOM 927 CA THR A 58 -9.037 8.874 2.176 1.00 0.00 C ATOM 928 C THR A 58 -8.806 8.059 0.907 1.00 0.00 C ATOM 929 O THR A 58 -9.448 8.309 -0.114 1.00 0.00 O ATOM 930 CB THR A 58 -8.419 10.273 2.010 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.991 10.198 2.094 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.932 11.200 3.091 1.00 0.00 C ATOM 0 H THR A 58 -7.553 7.886 3.282 1.00 0.00 H new ATOM 0 HA THR A 58 -10.113 8.970 2.323 1.00 0.00 H new ATOM 0 HB THR A 58 -8.704 10.661 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.706 10.407 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.488 12.187 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.017 11.278 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.661 10.803 4.069 1.00 0.00 H new ATOM 940 N LEU A 59 -7.894 7.088 0.970 1.00 0.00 N ATOM 941 CA LEU A 59 -7.628 6.222 -0.185 1.00 0.00 C ATOM 942 C LEU A 59 -8.924 5.546 -0.618 1.00 0.00 C ATOM 943 O LEU A 59 -9.710 5.105 0.224 1.00 0.00 O ATOM 944 CB LEU A 59 -6.600 5.127 0.133 1.00 0.00 C ATOM 945 CG LEU A 59 -5.435 5.526 1.040 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.462 4.363 1.185 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.730 6.772 0.517 1.00 0.00 C ATOM 0 H LEU A 59 -7.332 6.881 1.796 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.225 6.854 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.124 4.292 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.190 4.761 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.833 5.768 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.636 4.658 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.979 3.509 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.074 4.089 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.907 7.031 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.341 6.577 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.437 7.600 0.476 1.00 0.00 H new ATOM 959 N LYS A 60 -9.148 5.477 -1.920 1.00 0.00 N ATOM 960 CA LYS A 60 -10.331 4.821 -2.461 1.00 0.00 C ATOM 961 C LYS A 60 -10.356 3.347 -2.055 1.00 0.00 C ATOM 962 O LYS A 60 -9.303 2.728 -1.874 1.00 0.00 O ATOM 963 CB LYS A 60 -10.327 4.957 -3.984 1.00 0.00 C ATOM 964 CG LYS A 60 -10.242 6.399 -4.466 1.00 0.00 C ATOM 965 CD LYS A 60 -10.196 6.484 -5.979 1.00 0.00 C ATOM 966 CE LYS A 60 -9.936 7.910 -6.435 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.643 8.435 -5.913 1.00 0.00 N ATOM 0 H LYS A 60 -8.524 5.868 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.225 5.297 -2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.484 4.397 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.233 4.502 -4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.102 6.957 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.352 6.870 -4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.414 5.828 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.139 6.131 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.929 7.947 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.750 8.552 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.455 9.370 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.695 8.520 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.875 7.782 -6.168 1.00 0.00 H new ATOM 981 N PRO A 61 -11.562 2.768 -1.892 1.00 0.00 N ATOM 982 CA PRO A 61 -11.718 1.359 -1.506 1.00 0.00 C ATOM 983 C PRO A 61 -10.996 0.425 -2.469 1.00 0.00 C ATOM 984 O PRO A 61 -10.447 -0.603 -2.064 1.00 0.00 O ATOM 985 CB PRO A 61 -13.231 1.122 -1.569 1.00 0.00 C ATOM 986 CG PRO A 61 -13.861 2.475 -1.503 1.00 0.00 C ATOM 987 CD PRO A 61 -12.859 3.449 -2.065 1.00 0.00 C ATOM 0 HA PRO A 61 -11.291 1.158 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.508 0.607 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.563 0.496 -0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.787 2.499 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.116 2.733 -0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.059 3.666 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.885 4.400 -1.532 1.00 0.00 H new ATOM 995 N SER A 62 -10.988 0.801 -3.738 1.00 0.00 N ATOM 996 CA SER A 62 -10.301 0.033 -4.761 1.00 0.00 C ATOM 997 C SER A 62 -8.789 0.114 -4.567 1.00 0.00 C ATOM 998 O SER A 62 -8.069 -0.852 -4.819 1.00 0.00 O ATOM 999 CB SER A 62 -10.701 0.549 -6.142 1.00 0.00 C ATOM 1000 OG SER A 62 -10.735 1.967 -6.164 1.00 0.00 O ATOM 0 H SER A 62 -11.454 1.640 -4.085 1.00 0.00 H new ATOM 0 HA SER A 62 -10.592 -1.014 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.994 0.187 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.680 0.154 -6.412 1.00 0.00 H new ATOM 0 HG SER A 62 -10.992 2.274 -7.058 1.00 0.00 H new ATOM 1006 N THR A 63 -8.319 1.266 -4.099 1.00 0.00 N ATOM 1007 CA THR A 63 -6.908 1.459 -3.815 1.00 0.00 C ATOM 1008 C THR A 63 -6.477 0.535 -2.687 1.00 0.00 C ATOM 1009 O THR A 63 -5.510 -0.207 -2.824 1.00 0.00 O ATOM 1010 CB THR A 63 -6.611 2.933 -3.448 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.336 3.783 -4.345 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.126 3.239 -3.555 1.00 0.00 C ATOM 0 H THR A 63 -8.901 2.082 -3.909 1.00 0.00 H new ATOM 0 HA THR A 63 -6.339 1.216 -4.713 1.00 0.00 H new ATOM 0 HB THR A 63 -6.919 3.107 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.285 4.710 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.949 4.282 -3.291 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.571 2.593 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.791 3.062 -4.577 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.237 0.548 -1.597 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.951 -0.301 -0.441 1.00 0.00 C ATOM 1022 C LEU A 64 -6.917 -1.773 -0.829 1.00 0.00 C ATOM 1023 O LEU A 64 -6.005 -2.502 -0.448 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.000 -0.074 0.653 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.962 1.303 1.314 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.147 1.494 2.248 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.669 1.479 2.079 1.00 0.00 C ATOM 0 H LEU A 64 -8.061 1.140 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.967 -0.028 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.990 -0.226 0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.868 -0.833 1.424 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.020 2.057 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.095 2.482 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.074 1.404 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.122 0.732 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.653 2.464 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.595 0.711 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.826 1.389 1.394 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.901 -2.202 -1.604 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.988 -3.596 -2.014 1.00 0.00 C ATOM 1041 C ARG A 65 -6.810 -3.968 -2.914 1.00 0.00 C ATOM 1042 O ARG A 65 -6.340 -5.102 -2.890 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.309 -3.837 -2.744 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.613 -5.308 -3.080 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.224 -6.319 -1.987 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.865 -7.615 -2.220 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.118 -8.516 -1.266 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.657 -8.341 -0.035 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.802 -9.613 -1.560 1.00 0.00 N ATOM 0 H ARG A 65 -8.649 -1.607 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.950 -4.226 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.121 -3.446 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.304 -3.263 -3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.680 -5.406 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.090 -5.571 -3.999 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.141 -6.443 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.517 -5.935 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.137 -7.846 -3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.105 -7.514 0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.855 -9.034 0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.134 -9.767 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.997 -10.303 -0.834 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.322 -3.001 -3.678 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.217 -3.231 -4.598 1.00 0.00 C ATOM 1065 C GLU A 66 -3.908 -3.312 -3.826 1.00 0.00 C ATOM 1066 O GLU A 66 -3.049 -4.144 -4.113 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.174 -2.113 -5.641 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.986 -2.180 -6.586 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.009 -3.409 -7.470 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.462 -4.454 -7.068 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.570 -3.331 -8.582 1.00 0.00 O ATOM 0 H GLU A 66 -6.676 -2.045 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.364 -4.179 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.092 -2.145 -6.228 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.159 -1.153 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.975 -1.288 -7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.064 -2.173 -6.005 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.789 -2.464 -2.818 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.622 -2.442 -1.964 1.00 0.00 C ATOM 1080 C LEU A 67 -2.542 -3.761 -1.208 1.00 0.00 C ATOM 1081 O LEU A 67 -1.527 -4.455 -1.230 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.750 -1.271 -0.981 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.956 0.095 -1.632 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.095 1.175 -0.574 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.815 0.408 -2.582 1.00 0.00 C ATOM 0 H LEU A 67 -4.499 -1.774 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.716 -2.314 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.587 -1.468 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.851 -1.232 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.880 0.068 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.241 2.141 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.953 0.954 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.191 1.207 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.978 1.385 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.875 0.417 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.772 -0.353 -3.362 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.664 -4.111 -0.592 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.778 -5.313 0.229 1.00 0.00 C ATOM 1099 C GLU A 68 -3.594 -6.587 -0.601 1.00 0.00 C ATOM 1100 O GLU A 68 -2.795 -7.457 -0.249 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.149 -5.341 0.899 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.338 -6.518 1.827 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.763 -7.026 1.831 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.314 -7.273 0.737 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.340 -7.185 2.926 1.00 0.00 O ATOM 0 H GLU A 68 -4.525 -3.568 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.988 -5.283 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.290 -4.418 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.921 -5.366 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.668 -7.324 1.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.056 -6.228 2.839 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.349 -6.693 -1.695 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.295 -7.876 -2.562 1.00 0.00 C ATOM 1114 C ARG A 69 -2.879 -8.133 -3.052 1.00 0.00 C ATOM 1115 O ARG A 69 -2.434 -9.279 -3.145 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.221 -7.725 -3.771 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.238 -8.955 -4.655 1.00 0.00 C ATOM 1118 CD ARG A 69 -5.649 -8.611 -6.075 1.00 0.00 C ATOM 1119 NE ARG A 69 -4.773 -7.599 -6.671 1.00 0.00 N ATOM 1120 CZ ARG A 69 -4.050 -7.786 -7.774 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -4.057 -8.962 -8.393 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -3.318 -6.795 -8.258 1.00 0.00 N ATOM 0 H ARG A 69 -5.005 -5.976 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.628 -8.723 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.233 -7.519 -3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.904 -6.864 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.249 -9.414 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.928 -9.691 -4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.629 -9.513 -6.687 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.677 -8.247 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.713 -6.691 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.619 -9.729 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.501 -9.097 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.308 -5.891 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.764 -6.936 -9.102 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.169 -7.063 -3.341 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.838 -7.172 -3.893 1.00 0.00 C ATOM 1138 C TYR A 70 0.160 -7.610 -2.826 1.00 0.00 C ATOM 1139 O TYR A 70 0.932 -8.545 -3.039 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.416 -5.842 -4.523 1.00 0.00 C ATOM 1141 CG TYR A 70 1.061 -5.747 -4.790 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.628 -6.306 -5.925 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.887 -5.108 -3.888 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.986 -6.229 -6.152 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.248 -5.025 -4.101 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.794 -5.589 -5.237 1.00 0.00 C ATOM 1147 OH TYR A 70 5.151 -5.518 -5.456 1.00 0.00 O ATOM 0 H TYR A 70 -2.494 -6.106 -3.202 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.848 -7.935 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.956 -5.705 -5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.711 -5.026 -3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.997 -6.809 -6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.461 -4.665 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.414 -6.668 -7.041 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.881 -4.523 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 70 5.536 -4.813 -4.895 1.00 0.00 H new ATOM 1157 N VAL A 71 0.131 -6.949 -1.675 1.00 0.00 N ATOM 1158 CA VAL A 71 1.078 -7.246 -0.609 1.00 0.00 C ATOM 1159 C VAL A 71 0.874 -8.650 -0.062 1.00 0.00 C ATOM 1160 O VAL A 71 1.838 -9.378 0.138 1.00 0.00 O ATOM 1161 CB VAL A 71 0.984 -6.236 0.547 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.295 -4.837 0.069 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.378 -6.276 1.201 1.00 0.00 C ATOM 0 H VAL A 71 -0.535 -6.208 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 71 2.070 -7.172 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 71 1.727 -6.521 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.222 -4.142 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.305 -4.808 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.583 -4.550 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.413 -5.551 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.143 -6.031 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.562 -7.275 1.597 1.00 0.00 H new ATOM 1173 N THR A 72 -0.382 -9.031 0.164 1.00 0.00 N ATOM 1174 CA THR A 72 -0.696 -10.340 0.718 1.00 0.00 C ATOM 1175 C THR A 72 -0.176 -11.443 -0.200 1.00 0.00 C ATOM 1176 O THR A 72 0.197 -12.523 0.252 1.00 0.00 O ATOM 1177 CB THR A 72 -2.217 -10.503 0.965 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.460 -11.610 1.839 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.971 -10.719 -0.334 1.00 0.00 C ATOM 0 H THR A 72 -1.197 -8.449 -0.029 1.00 0.00 H new ATOM 0 HA THR A 72 -0.197 -10.424 1.683 1.00 0.00 H new ATOM 0 HB THR A 72 -2.575 -9.582 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.424 -11.703 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.035 -10.829 -0.123 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.818 -9.862 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.603 -11.621 -0.823 1.00 0.00 H new ATOM 1187 N SER A 73 -0.108 -11.141 -1.490 1.00 0.00 N ATOM 1188 CA SER A 73 0.421 -12.074 -2.462 1.00 0.00 C ATOM 1189 C SER A 73 1.944 -12.187 -2.346 1.00 0.00 C ATOM 1190 O SER A 73 2.539 -13.165 -2.791 1.00 0.00 O ATOM 1191 CB SER A 73 0.014 -11.634 -3.853 1.00 0.00 C ATOM 1192 OG SER A 73 -1.399 -11.636 -3.991 1.00 0.00 O ATOM 0 H SER A 73 -0.415 -10.252 -1.884 1.00 0.00 H new ATOM 0 HA SER A 73 0.007 -13.063 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.401 -10.635 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.457 -12.300 -4.594 1.00 0.00 H new ATOM 0 HG SER A 73 -1.761 -10.785 -3.665 1.00 0.00 H new ATOM 1198 N CYS A 74 2.567 -11.177 -1.750 1.00 0.00 N ATOM 1199 CA CYS A 74 4.004 -11.192 -1.515 1.00 0.00 C ATOM 1200 C CYS A 74 4.322 -11.795 -0.141 1.00 0.00 C ATOM 1201 O CYS A 74 5.139 -12.710 -0.031 1.00 0.00 O ATOM 1202 CB CYS A 74 4.582 -9.776 -1.628 1.00 0.00 C ATOM 1203 SG CYS A 74 6.379 -9.697 -1.432 1.00 0.00 S ATOM 0 H CYS A 74 2.096 -10.335 -1.420 1.00 0.00 H new ATOM 0 HA CYS A 74 4.469 -11.816 -2.278 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.314 -9.362 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.116 -9.143 -0.873 1.00 0.00 H new ATOM 0 HG CYS A 74 6.796 -10.765 -0.820 1.00 0.00 H new ATOM 1209 N LEU A 75 3.667 -11.269 0.900 1.00 0.00 N ATOM 1210 CA LEU A 75 3.841 -11.747 2.276 1.00 0.00 C ATOM 1211 C LEU A 75 3.665 -13.259 2.368 1.00 0.00 C ATOM 1212 O LEU A 75 4.416 -13.941 3.064 1.00 0.00 O ATOM 1213 CB LEU A 75 2.820 -11.078 3.203 1.00 0.00 C ATOM 1214 CG LEU A 75 2.528 -9.617 2.912 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.325 -9.163 3.709 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.740 -8.772 3.236 1.00 0.00 C ATOM 0 H LEU A 75 3.002 -10.501 0.812 1.00 0.00 H new ATOM 0 HA LEU A 75 4.854 -11.489 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.885 -11.635 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.179 -11.161 4.229 1.00 0.00 H new ATOM 0 HG LEU A 75 2.303 -9.499 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.122 -8.114 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.458 -9.764 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.527 -9.284 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.521 -7.725 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.990 -8.884 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.583 -9.097 2.627 1.00 0.00 H new ATOM 1228 N ARG A 76 2.670 -13.776 1.655 1.00 0.00 N ATOM 1229 CA ARG A 76 2.332 -15.194 1.717 1.00 0.00 C ATOM 1230 C ARG A 76 3.197 -16.029 0.776 1.00 0.00 C ATOM 1231 O ARG A 76 2.926 -17.210 0.551 1.00 0.00 O ATOM 1232 CB ARG A 76 0.858 -15.395 1.385 1.00 0.00 C ATOM 1233 CG ARG A 76 -0.074 -14.878 2.460 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.505 -14.839 1.963 1.00 0.00 C ATOM 1235 NE ARG A 76 -1.971 -16.153 1.523 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.253 -16.487 1.394 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.210 -15.620 1.703 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.577 -17.697 0.962 1.00 0.00 N ATOM 0 H ARG A 76 2.081 -13.232 1.025 1.00 0.00 H new ATOM 0 HA ARG A 76 2.528 -15.534 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.632 -14.891 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.669 -16.457 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.008 -15.516 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.236 -13.879 2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.154 -14.472 2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.582 -14.132 1.137 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.269 -16.859 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.965 -14.690 2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.190 -15.884 1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.845 -18.369 0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.558 -17.957 0.862 1.00 0.00 H new ATOM 1443 N LEU B 204 0.995 6.542 6.399 1.00 0.00 N ATOM 1444 CA LEU B 204 2.115 5.678 6.064 1.00 0.00 C ATOM 1445 C LEU B 204 3.151 6.443 5.255 1.00 0.00 C ATOM 1446 O LEU B 204 3.019 6.592 4.039 1.00 0.00 O ATOM 1447 CB LEU B 204 1.658 4.454 5.266 1.00 0.00 C ATOM 1448 CG LEU B 204 2.305 3.116 5.665 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.935 2.026 4.672 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.820 3.230 5.774 1.00 0.00 C ATOM 0 HA LEU B 204 2.557 5.339 7.001 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.577 4.359 5.370 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.862 4.635 4.211 1.00 0.00 H new ATOM 0 HG LEU B 204 1.918 2.850 6.649 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.402 1.088 4.971 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.852 1.903 4.654 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.285 2.305 3.678 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.238 2.264 6.058 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.232 3.535 4.812 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.076 3.972 6.530 1.00 0.00 H new ATOM 1462 N LYS B 205 4.164 6.943 5.936 1.00 0.00 N ATOM 1463 CA LYS B 205 5.314 7.520 5.265 1.00 0.00 C ATOM 1464 C LYS B 205 6.254 6.407 4.831 1.00 0.00 C ATOM 1465 O LYS B 205 7.240 6.122 5.512 1.00 0.00 O ATOM 1466 CB LYS B 205 6.061 8.488 6.190 1.00 0.00 C ATOM 1467 CG LYS B 205 5.392 9.839 6.371 1.00 0.00 C ATOM 1468 CD LYS B 205 5.348 10.615 5.067 1.00 0.00 C ATOM 1469 CE LYS B 205 5.095 12.094 5.306 1.00 0.00 C ATOM 1470 NZ LYS B 205 3.908 12.328 6.171 1.00 0.00 N ATOM 0 H LYS B 205 4.214 6.962 6.955 1.00 0.00 H new ATOM 0 HA LYS B 205 4.965 8.076 4.395 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.174 8.020 7.168 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.064 8.645 5.794 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.378 9.697 6.746 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.932 10.416 7.122 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.291 10.488 4.535 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.564 10.210 4.428 1.00 0.00 H new ATOM 0 HE2 LYS B 205 5.974 12.541 5.770 1.00 0.00 H new ATOM 0 HE3 LYS B 205 4.950 12.595 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.620 13.325 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.125 11.720 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.148 12.103 7.158 1.00 0.00 H new ATOM 1484 N ILE B 206 5.934 5.745 3.724 1.00 0.00 N ATOM 1485 CA ILE B 206 6.795 4.684 3.232 1.00 0.00 C ATOM 1486 C ILE B 206 8.101 5.287 2.732 1.00 0.00 C ATOM 1487 O ILE B 206 8.091 6.117 1.819 1.00 0.00 O ATOM 1488 CB ILE B 206 6.196 3.866 2.064 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.694 3.647 2.170 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.853 2.510 2.045 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.083 3.193 0.860 1.00 0.00 C ATOM 0 H ILE B 206 5.101 5.922 3.162 1.00 0.00 H new ATOM 0 HA ILE B 206 6.934 4.007 4.075 1.00 0.00 H new ATOM 0 HB ILE B 206 6.379 4.441 1.156 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.492 2.902 2.940 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.216 4.573 2.489 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.443 1.918 1.227 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.927 2.628 1.904 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.665 2.001 2.990 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.010 3.051 0.989 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.260 3.949 0.095 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.539 2.252 0.552 1.00 0.00 H new ATOM 1503 N THR B 207 9.215 4.879 3.312 1.00 0.00 N ATOM 1504 CA THR B 207 10.514 5.372 2.885 1.00 0.00 C ATOM 1505 C THR B 207 11.252 4.321 2.060 1.00 0.00 C ATOM 1506 O THR B 207 11.622 3.267 2.579 1.00 0.00 O ATOM 1507 CB THR B 207 11.376 5.789 4.091 1.00 0.00 C ATOM 1508 OG1 THR B 207 11.368 4.754 5.084 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.863 7.086 4.701 1.00 0.00 C ATOM 0 H THR B 207 9.248 4.208 4.080 1.00 0.00 H new ATOM 0 HA THR B 207 10.340 6.250 2.263 1.00 0.00 H new ATOM 0 HB THR B 207 12.396 5.948 3.741 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.397 3.879 4.644 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.488 7.360 5.551 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.899 7.879 3.954 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.835 6.949 5.036 1.00 0.00 H new ATOM 1517 N LYS B 208 11.449 4.611 0.773 1.00 0.00 N ATOM 1518 CA LYS B 208 12.142 3.693 -0.128 1.00 0.00 C ATOM 1519 C LYS B 208 12.400 4.356 -1.484 1.00 0.00 C ATOM 1520 O LYS B 208 12.472 5.581 -1.560 1.00 0.00 O ATOM 1521 CB LYS B 208 11.375 2.357 -0.289 1.00 0.00 C ATOM 1522 CG LYS B 208 10.131 2.382 -1.181 1.00 0.00 C ATOM 1523 CD LYS B 208 9.034 3.276 -0.640 1.00 0.00 C ATOM 1524 CE LYS B 208 9.091 4.636 -1.293 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.090 5.568 -0.738 1.00 0.00 N ATOM 0 H LYS B 208 11.137 5.476 0.332 1.00 0.00 H new ATOM 0 HA LYS B 208 13.106 3.454 0.321 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.065 1.614 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.077 2.014 0.702 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.412 2.723 -2.178 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.746 1.368 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.061 2.819 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.140 3.380 0.440 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.088 5.057 -1.162 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.928 4.528 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.344 6.543 -0.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.152 5.341 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.068 5.477 0.298 1.00 0.00 H new