USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=24 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+ 153:sc= 0.165 (180deg=-0.661) USER MOD Set 1.2: A 74 CYS SG : rot -22:sc= -0.3 USER MOD Single : A 7 CYS SG : rot -22:sc= -0.76 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= -0.0115 (180deg=-0.133) USER MOD Single : A 10 MET CE :methyl 154:sc= -0.307 (180deg=-1.31) USER MOD Single : A 11 SER OG : rot -83:sc= 1.32 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.01) USER MOD Single : A 17 GLN : amide:sc= 0.615 K(o=0.62,f=-5!) USER MOD Single : A 19 SER OG : rot -49:sc= 1.23 USER MOD Single : A 23 ASN : amide:sc= -0.0218 X(o=-0.022,f=-0.007) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.035) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.3!) 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+ 145:sc= -0.96 (180deg=-2.74!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 SER OG : rot 89:sc= 0.27 USER MOD Single : A 48 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.45) USER MOD Single : A 58 THR OG1 : rot -9:sc= -0.886 USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 1.53 (180deg=1.26) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 63 THR OG1 : rot 176:sc= 0.533 USER MOD Single : A 70 TYR OH : rot 166:sc= 1 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 73 SER OG : rot -56:sc= 1.26 USER MOD Single : B 205 LYS NZ :NH3+ -164:sc= -0.84! (180deg=-1.75!) USER MOD Single : B 207 THR OG1 : rot 45:sc= 0.056 USER MOD Single : B 208 LYS NZ :NH3+ 158:sc= 0.156 (180deg=-0.27!) USER MOD ----------------------------------------------------------------- ATOM 93 N CYS A 7 -16.152 -2.631 -4.879 1.00 0.00 N ATOM 94 CA CYS A 7 -15.351 -2.974 -3.719 1.00 0.00 C ATOM 95 C CYS A 7 -15.806 -2.203 -2.485 1.00 0.00 C ATOM 96 O CYS A 7 -15.948 -0.979 -2.518 1.00 0.00 O ATOM 97 CB CYS A 7 -13.869 -2.679 -4.023 1.00 0.00 C ATOM 98 SG CYS A 7 -13.603 -1.077 -4.816 1.00 0.00 S ATOM 0 HA CYS A 7 -15.477 -4.036 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.301 -2.714 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.475 -3.465 -4.667 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.705 -0.686 -5.384 1.00 0.00 H new ATOM 104 N LYS A 8 -16.037 -2.931 -1.404 1.00 0.00 N ATOM 105 CA LYS A 8 -16.440 -2.327 -0.145 1.00 0.00 C ATOM 106 C LYS A 8 -15.205 -1.952 0.674 1.00 0.00 C ATOM 107 O LYS A 8 -14.198 -2.667 0.649 1.00 0.00 O ATOM 108 CB LYS A 8 -17.333 -3.289 0.647 1.00 0.00 C ATOM 109 CG LYS A 8 -18.809 -3.240 0.262 1.00 0.00 C ATOM 110 CD LYS A 8 -19.030 -3.519 -1.218 1.00 0.00 C ATOM 111 CE LYS A 8 -20.507 -3.527 -1.578 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.233 -4.659 -0.944 1.00 0.00 N ATOM 0 H LYS A 8 -15.951 -3.947 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.010 -1.422 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.967 -4.306 0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.239 -3.062 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.361 -3.971 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.214 -2.259 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.516 -2.763 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.588 -4.481 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.960 -2.586 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.615 -3.589 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.184 -4.737 -1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.710 -5.543 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.314 -4.490 0.079 1.00 0.00 H new ATOM 126 N PRO A 9 -15.253 -0.819 1.400 1.00 0.00 N ATOM 127 CA PRO A 9 -14.125 -0.355 2.208 1.00 0.00 C ATOM 128 C PRO A 9 -13.812 -1.301 3.354 1.00 0.00 C ATOM 129 O PRO A 9 -14.697 -1.663 4.130 1.00 0.00 O ATOM 130 CB PRO A 9 -14.583 0.982 2.785 1.00 0.00 C ATOM 131 CG PRO A 9 -15.801 1.368 2.014 1.00 0.00 C ATOM 132 CD PRO A 9 -16.406 0.091 1.495 1.00 0.00 C ATOM 0 HA PRO A 9 -13.222 -0.288 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.807 0.892 3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.803 1.737 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.508 1.901 2.649 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.543 2.036 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.169 -0.296 2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.883 0.237 0.526 1.00 0.00 H new ATOM 140 N MET A 10 -12.556 -1.702 3.457 1.00 0.00 N ATOM 141 CA MET A 10 -12.116 -2.505 4.584 1.00 0.00 C ATOM 142 C MET A 10 -12.131 -1.659 5.853 1.00 0.00 C ATOM 143 O MET A 10 -12.058 -0.431 5.790 1.00 0.00 O ATOM 144 CB MET A 10 -10.724 -3.084 4.331 1.00 0.00 C ATOM 145 CG MET A 10 -9.651 -2.041 4.109 1.00 0.00 C ATOM 146 SD MET A 10 -8.045 -2.778 3.768 1.00 0.00 S ATOM 147 CE MET A 10 -8.428 -3.776 2.328 1.00 0.00 C ATOM 0 H MET A 10 -11.827 -1.486 2.777 1.00 0.00 H new ATOM 0 HA MET A 10 -12.803 -3.342 4.710 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.441 -3.705 5.181 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.767 -3.737 3.459 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.938 -1.399 3.276 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.577 -1.405 4.991 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.526 -3.917 1.733 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.807 -4.746 2.648 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.184 -3.272 1.726 1.00 0.00 H new ATOM 157 N SER A 11 -12.236 -2.319 6.992 1.00 0.00 N ATOM 158 CA SER A 11 -12.418 -1.640 8.268 1.00 0.00 C ATOM 159 C SER A 11 -11.139 -0.960 8.762 1.00 0.00 C ATOM 160 O SER A 11 -10.073 -1.101 8.153 1.00 0.00 O ATOM 161 CB SER A 11 -12.922 -2.634 9.316 1.00 0.00 C ATOM 162 OG SER A 11 -12.009 -3.708 9.486 1.00 0.00 O ATOM 0 H SER A 11 -12.198 -3.336 7.062 1.00 0.00 H new ATOM 0 HA SER A 11 -13.157 -0.854 8.114 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.066 -2.122 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.894 -3.024 9.014 1.00 0.00 H new ATOM 0 HG SER A 11 -12.165 -4.383 8.793 1.00 0.00 H new ATOM 168 N TYR A 12 -11.254 -0.241 9.874 1.00 0.00 N ATOM 169 CA TYR A 12 -10.136 0.512 10.448 1.00 0.00 C ATOM 170 C TYR A 12 -8.945 -0.408 10.740 1.00 0.00 C ATOM 171 O TYR A 12 -7.799 -0.073 10.420 1.00 0.00 O ATOM 172 CB TYR A 12 -10.615 1.228 11.721 1.00 0.00 C ATOM 173 CG TYR A 12 -9.610 2.176 12.339 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.514 1.695 13.036 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.778 3.553 12.250 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.607 2.552 13.625 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.874 4.420 12.833 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.791 3.914 13.521 1.00 0.00 C ATOM 179 OH TYR A 12 -6.887 4.771 14.107 1.00 0.00 O ATOM 0 H TYR A 12 -12.122 -0.162 10.404 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.794 1.256 9.729 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.522 1.786 11.487 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.886 0.476 12.462 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.366 0.628 13.120 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.629 3.951 11.717 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.758 2.158 14.164 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.015 5.488 12.750 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.159 5.698 13.941 1.00 0.00 H new ATOM 189 N GLU A 13 -9.223 -1.577 11.317 1.00 0.00 N ATOM 190 CA GLU A 13 -8.174 -2.536 11.661 1.00 0.00 C ATOM 191 C GLU A 13 -7.398 -2.951 10.415 1.00 0.00 C ATOM 192 O GLU A 13 -6.170 -3.045 10.429 1.00 0.00 O ATOM 193 CB GLU A 13 -8.783 -3.778 12.317 1.00 0.00 C ATOM 194 CG GLU A 13 -7.751 -4.745 12.869 1.00 0.00 C ATOM 195 CD GLU A 13 -8.383 -6.005 13.418 1.00 0.00 C ATOM 196 OE1 GLU A 13 -8.841 -5.987 14.581 1.00 0.00 O ATOM 197 OE2 GLU A 13 -8.434 -7.014 12.683 1.00 0.00 O ATOM 0 H GLU A 13 -10.166 -1.883 11.556 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.492 -2.055 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.443 -3.464 13.126 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.401 -4.299 11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.045 -5.008 12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.181 -4.254 13.657 1.00 0.00 H new ATOM 204 N GLU A 14 -8.132 -3.159 9.332 1.00 0.00 N ATOM 205 CA GLU A 14 -7.557 -3.644 8.085 1.00 0.00 C ATOM 206 C GLU A 14 -6.715 -2.567 7.417 1.00 0.00 C ATOM 207 O GLU A 14 -5.603 -2.830 6.980 1.00 0.00 O ATOM 208 CB GLU A 14 -8.665 -4.106 7.144 1.00 0.00 C ATOM 209 CG GLU A 14 -9.391 -5.352 7.618 1.00 0.00 C ATOM 210 CD GLU A 14 -10.668 -5.599 6.848 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.726 -5.079 7.267 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.624 -6.309 5.825 1.00 0.00 O ATOM 0 H GLU A 14 -9.138 -2.997 9.292 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.907 -4.489 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.388 -3.299 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.237 -4.298 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.733 -6.215 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.622 -5.254 8.679 1.00 0.00 H new ATOM 219 N LYS A 15 -7.253 -1.355 7.345 1.00 0.00 N ATOM 220 CA LYS A 15 -6.528 -0.220 6.784 1.00 0.00 C ATOM 221 C LYS A 15 -5.196 -0.018 7.504 1.00 0.00 C ATOM 222 O LYS A 15 -4.158 0.202 6.877 1.00 0.00 O ATOM 223 CB LYS A 15 -7.379 1.041 6.889 1.00 0.00 C ATOM 224 CG LYS A 15 -8.575 1.046 5.962 1.00 0.00 C ATOM 225 CD LYS A 15 -9.665 1.967 6.495 1.00 0.00 C ATOM 226 CE LYS A 15 -10.621 2.443 5.415 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.293 3.819 4.972 1.00 0.00 N ATOM 0 H LYS A 15 -8.194 -1.132 7.670 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.320 -0.426 5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.726 1.150 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.756 1.908 6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.270 1.373 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.966 0.034 5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.229 1.444 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.202 2.832 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.577 1.764 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.643 2.414 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.897 4.077 4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.457 4.484 5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.295 3.862 4.684 1.00 0.00 H new ATOM 241 N ARG A 16 -5.234 -0.109 8.828 1.00 0.00 N ATOM 242 CA ARG A 16 -4.031 0.020 9.639 1.00 0.00 C ATOM 243 C ARG A 16 -3.064 -1.131 9.358 1.00 0.00 C ATOM 244 O ARG A 16 -1.864 -0.919 9.190 1.00 0.00 O ATOM 245 CB ARG A 16 -4.390 0.035 11.124 1.00 0.00 C ATOM 246 CG ARG A 16 -3.209 0.343 12.029 1.00 0.00 C ATOM 247 CD ARG A 16 -3.285 -0.451 13.321 1.00 0.00 C ATOM 248 NE ARG A 16 -3.166 -1.890 13.076 1.00 0.00 N ATOM 249 CZ ARG A 16 -3.845 -2.820 13.745 1.00 0.00 C ATOM 250 NH1 ARG A 16 -4.687 -2.469 14.711 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.681 -4.105 13.449 1.00 0.00 N ATOM 0 H ARG A 16 -6.087 -0.272 9.363 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.546 0.960 9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.171 0.776 11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.806 -0.934 11.399 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.279 0.110 11.510 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.189 1.409 12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.491 -0.129 13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.231 -0.243 13.822 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.523 -2.199 12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.815 -1.484 14.943 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.205 -3.185 15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.035 -4.379 12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.201 -4.817 13.962 1.00 0.00 H new ATOM 265 N GLN A 17 -3.593 -2.352 9.312 1.00 0.00 N ATOM 266 CA GLN A 17 -2.780 -3.533 9.059 1.00 0.00 C ATOM 267 C GLN A 17 -2.207 -3.498 7.648 1.00 0.00 C ATOM 268 O GLN A 17 -1.144 -4.050 7.387 1.00 0.00 O ATOM 269 CB GLN A 17 -3.613 -4.800 9.264 1.00 0.00 C ATOM 270 CG GLN A 17 -2.784 -6.072 9.321 1.00 0.00 C ATOM 271 CD GLN A 17 -1.832 -6.091 10.502 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.109 -5.502 11.549 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.704 -6.764 10.343 1.00 0.00 N ATOM 0 H GLN A 17 -4.585 -2.547 9.448 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.950 -3.540 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.181 -4.705 10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.336 -4.884 8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.449 -6.933 9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.214 -6.173 8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.513 -7.238 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.025 -6.809 11.103 1.00 0.00 H new ATOM 282 N LEU A 18 -2.919 -2.834 6.755 1.00 0.00 N ATOM 283 CA LEU A 18 -2.483 -2.667 5.374 1.00 0.00 C ATOM 284 C LEU A 18 -1.282 -1.728 5.328 1.00 0.00 C ATOM 285 O LEU A 18 -0.351 -1.906 4.553 1.00 0.00 O ATOM 286 CB LEU A 18 -3.637 -2.110 4.537 1.00 0.00 C ATOM 287 CG LEU A 18 -3.773 -2.653 3.108 1.00 0.00 C ATOM 288 CD1 LEU A 18 -5.082 -2.199 2.495 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.626 -2.206 2.226 1.00 0.00 C ATOM 0 H LEU A 18 -3.816 -2.394 6.963 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.187 -3.631 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.569 -2.308 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.526 -1.027 4.481 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.752 -3.741 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.165 -2.592 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.913 -2.568 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.112 -1.110 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.759 -2.611 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.607 -1.117 2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.685 -2.567 2.641 1.00 0.00 H new ATOM 301 N SER A 19 -1.300 -0.719 6.175 1.00 0.00 N ATOM 302 CA SER A 19 -0.137 0.136 6.330 1.00 0.00 C ATOM 303 C SER A 19 1.050 -0.695 6.811 1.00 0.00 C ATOM 304 O SER A 19 2.198 -0.465 6.425 1.00 0.00 O ATOM 305 CB SER A 19 -0.426 1.256 7.331 1.00 0.00 C ATOM 306 OG SER A 19 -1.646 1.913 7.035 1.00 0.00 O ATOM 0 H SER A 19 -2.097 -0.471 6.762 1.00 0.00 H new ATOM 0 HA SER A 19 0.101 0.584 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.469 0.843 8.339 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.390 1.978 7.317 1.00 0.00 H new ATOM 0 HG SER A 19 -1.670 2.145 6.083 1.00 0.00 H new ATOM 312 N LEU A 20 0.743 -1.682 7.635 1.00 0.00 N ATOM 313 CA LEU A 20 1.750 -2.550 8.211 1.00 0.00 C ATOM 314 C LEU A 20 2.225 -3.606 7.213 1.00 0.00 C ATOM 315 O LEU A 20 3.381 -4.032 7.264 1.00 0.00 O ATOM 316 CB LEU A 20 1.189 -3.217 9.465 1.00 0.00 C ATOM 317 CG LEU A 20 0.944 -2.279 10.641 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.209 -3.019 11.735 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.262 -1.737 11.170 1.00 0.00 C ATOM 0 H LEU A 20 -0.211 -1.902 7.922 1.00 0.00 H new ATOM 0 HA LEU A 20 2.615 -1.942 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.249 -3.706 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.879 -3.999 9.782 1.00 0.00 H new ATOM 0 HG LEU A 20 0.336 -1.439 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.035 -2.347 12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.747 -3.378 11.353 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.808 -3.867 12.067 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.070 -1.069 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.889 -2.565 11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.773 -1.188 10.379 1.00 0.00 H new ATOM 331 N ASP A 21 1.346 -4.017 6.303 1.00 0.00 N ATOM 332 CA ASP A 21 1.676 -5.078 5.360 1.00 0.00 C ATOM 333 C ASP A 21 2.509 -4.560 4.186 1.00 0.00 C ATOM 334 O ASP A 21 3.384 -5.268 3.682 1.00 0.00 O ATOM 335 CB ASP A 21 0.417 -5.836 4.892 1.00 0.00 C ATOM 336 CG ASP A 21 -0.612 -5.018 4.152 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.241 -4.178 3.325 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.818 -5.273 4.367 1.00 0.00 O ATOM 0 H ASP A 21 0.406 -3.634 6.200 1.00 0.00 H new ATOM 0 HA ASP A 21 2.300 -5.798 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.731 -6.657 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.061 -6.280 5.765 1.00 0.00 H new ATOM 343 N ILE A 22 2.275 -3.322 3.774 1.00 0.00 N ATOM 344 CA ILE A 22 3.100 -2.705 2.740 1.00 0.00 C ATOM 345 C ILE A 22 4.469 -2.378 3.302 1.00 0.00 C ATOM 346 O ILE A 22 5.488 -2.522 2.629 1.00 0.00 O ATOM 347 CB ILE A 22 2.446 -1.424 2.191 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.101 -1.757 1.559 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.343 -0.735 1.178 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.236 -0.549 1.365 1.00 0.00 C ATOM 0 H ILE A 22 1.528 -2.728 4.135 1.00 0.00 H new ATOM 0 HA ILE A 22 3.199 -3.415 1.919 1.00 0.00 H new ATOM 0 HB ILE A 22 2.294 -0.738 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.267 -2.238 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.577 -2.476 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.852 0.166 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.287 -0.466 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.535 -1.410 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.709 -0.847 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.043 -0.081 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.744 0.161 0.712 1.00 0.00 H new ATOM 362 N ASN A 23 4.483 -1.969 4.561 1.00 0.00 N ATOM 363 CA ASN A 23 5.711 -1.659 5.255 1.00 0.00 C ATOM 364 C ASN A 23 6.539 -2.938 5.469 1.00 0.00 C ATOM 365 O ASN A 23 7.725 -2.881 5.806 1.00 0.00 O ATOM 366 CB ASN A 23 5.355 -0.980 6.579 1.00 0.00 C ATOM 367 CG ASN A 23 6.571 -0.513 7.379 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.006 0.628 7.232 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.121 -1.369 8.230 1.00 0.00 N ATOM 0 H ASN A 23 3.642 -1.845 5.125 1.00 0.00 H new ATOM 0 HA ASN A 23 6.326 -0.980 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.714 -0.122 6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.776 -1.674 7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.929 -1.088 8.786 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.736 -2.308 8.329 1.00 0.00 H new ATOM 376 N LYS A 24 5.907 -4.097 5.256 1.00 0.00 N ATOM 377 CA LYS A 24 6.598 -5.383 5.320 1.00 0.00 C ATOM 378 C LYS A 24 7.391 -5.640 4.042 1.00 0.00 C ATOM 379 O LYS A 24 8.438 -6.290 4.073 1.00 0.00 O ATOM 380 CB LYS A 24 5.608 -6.534 5.519 1.00 0.00 C ATOM 381 CG LYS A 24 5.081 -6.680 6.938 1.00 0.00 C ATOM 382 CD LYS A 24 4.066 -7.813 7.030 1.00 0.00 C ATOM 383 CE LYS A 24 3.491 -7.954 8.433 1.00 0.00 C ATOM 384 NZ LYS A 24 4.515 -8.403 9.413 1.00 0.00 N ATOM 0 H LYS A 24 4.913 -4.167 5.037 1.00 0.00 H new ATOM 0 HA LYS A 24 7.277 -5.338 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.763 -6.389 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.092 -7.466 5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.910 -6.873 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.618 -5.746 7.256 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.256 -7.632 6.323 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.541 -8.749 6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.078 -6.997 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.667 -8.668 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.064 -8.568 10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.952 -9.286 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.246 -7.670 9.511 1.00 0.00 H new ATOM 398 N LEU A 25 6.876 -5.143 2.924 1.00 0.00 N ATOM 399 CA LEU A 25 7.492 -5.374 1.621 1.00 0.00 C ATOM 400 C LEU A 25 8.861 -4.709 1.523 1.00 0.00 C ATOM 401 O LEU A 25 9.004 -3.525 1.828 1.00 0.00 O ATOM 402 CB LEU A 25 6.598 -4.830 0.509 1.00 0.00 C ATOM 403 CG LEU A 25 5.183 -5.382 0.464 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.512 -4.953 -0.818 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.201 -6.885 0.574 1.00 0.00 C ATOM 0 H LEU A 25 6.030 -4.575 2.893 1.00 0.00 H new ATOM 0 HA LEU A 25 7.616 -6.451 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.541 -3.746 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.077 -5.034 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 25 4.619 -4.986 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.497 -5.350 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.477 -3.865 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.076 -5.334 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.180 -7.265 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.771 -7.304 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.665 -7.175 1.517 1.00 0.00 H new ATOM 417 N PRO A 26 9.892 -5.472 1.122 1.00 0.00 N ATOM 418 CA PRO A 26 11.209 -4.912 0.804 1.00 0.00 C ATOM 419 C PRO A 26 11.112 -3.867 -0.307 1.00 0.00 C ATOM 420 O PRO A 26 10.235 -3.975 -1.162 1.00 0.00 O ATOM 421 CB PRO A 26 12.018 -6.125 0.329 1.00 0.00 C ATOM 422 CG PRO A 26 11.322 -7.306 0.914 1.00 0.00 C ATOM 423 CD PRO A 26 9.866 -6.941 0.987 1.00 0.00 C ATOM 0 HA PRO A 26 11.660 -4.404 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.043 -6.181 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.052 -6.068 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.471 -8.191 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.715 -7.539 1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.327 -7.253 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.374 -7.415 1.837 1.00 0.00 H new ATOM 431 N GLY A 27 12.015 -2.880 -0.288 1.00 0.00 N ATOM 432 CA GLY A 27 11.952 -1.737 -1.203 1.00 0.00 C ATOM 433 C GLY A 27 11.578 -2.098 -2.633 1.00 0.00 C ATOM 434 O GLY A 27 10.783 -1.400 -3.264 1.00 0.00 O ATOM 0 H GLY A 27 12.804 -2.851 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.226 -1.020 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.921 -1.237 -1.209 1.00 0.00 H new ATOM 438 N GLU A 28 12.160 -3.178 -3.137 1.00 0.00 N ATOM 439 CA GLU A 28 11.849 -3.697 -4.470 1.00 0.00 C ATOM 440 C GLU A 28 10.336 -3.891 -4.652 1.00 0.00 C ATOM 441 O GLU A 28 9.700 -3.249 -5.497 1.00 0.00 O ATOM 442 CB GLU A 28 12.599 -5.035 -4.647 1.00 0.00 C ATOM 443 CG GLU A 28 12.201 -5.874 -5.848 1.00 0.00 C ATOM 444 CD GLU A 28 12.728 -7.290 -5.737 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.918 -7.511 -6.048 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.961 -8.188 -5.326 1.00 0.00 O ATOM 0 H GLU A 28 12.862 -3.722 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 28 12.170 -2.983 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.666 -4.823 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.450 -5.632 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.115 -5.895 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.584 -5.413 -6.758 1.00 0.00 H new ATOM 453 N LYS A 29 9.765 -4.754 -3.827 1.00 0.00 N ATOM 454 CA LYS A 29 8.342 -5.068 -3.871 1.00 0.00 C ATOM 455 C LYS A 29 7.516 -3.860 -3.456 1.00 0.00 C ATOM 456 O LYS A 29 6.408 -3.626 -3.947 1.00 0.00 O ATOM 457 CB LYS A 29 8.075 -6.219 -2.912 1.00 0.00 C ATOM 458 CG LYS A 29 8.816 -7.490 -3.268 1.00 0.00 C ATOM 459 CD LYS A 29 8.188 -8.210 -4.448 1.00 0.00 C ATOM 460 CE LYS A 29 8.936 -9.497 -4.760 1.00 0.00 C ATOM 461 NZ LYS A 29 9.174 -10.310 -3.538 1.00 0.00 N ATOM 0 H LYS A 29 10.276 -5.260 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 29 8.061 -5.344 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.357 -5.914 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.005 -6.425 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.853 -7.250 -3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.829 -8.155 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.145 -8.435 -4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.196 -7.559 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.365 -10.083 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.891 -9.258 -5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.249 -11.314 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.058 -10.003 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.382 -10.182 -2.876 1.00 0.00 H new ATOM 475 N LEU A 30 8.084 -3.107 -2.542 1.00 0.00 N ATOM 476 CA LEU A 30 7.453 -1.936 -1.969 1.00 0.00 C ATOM 477 C LEU A 30 7.200 -0.864 -3.023 1.00 0.00 C ATOM 478 O LEU A 30 6.152 -0.221 -3.006 1.00 0.00 O ATOM 479 CB LEU A 30 8.352 -1.405 -0.854 1.00 0.00 C ATOM 480 CG LEU A 30 7.835 -0.192 -0.108 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.362 -0.356 0.215 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.645 0.003 1.166 1.00 0.00 C ATOM 0 H LEU A 30 9.015 -3.293 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 30 6.479 -2.211 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.517 -2.207 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.323 -1.157 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 30 7.945 0.691 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.007 0.524 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.797 -0.470 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.222 -1.240 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.274 0.876 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.548 -0.880 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.694 0.153 0.911 1.00 0.00 H new ATOM 494 N GLY A 31 8.147 -0.701 -3.947 1.00 0.00 N ATOM 495 CA GLY A 31 8.043 0.335 -4.966 1.00 0.00 C ATOM 496 C GLY A 31 6.745 0.267 -5.750 1.00 0.00 C ATOM 497 O GLY A 31 6.211 1.300 -6.157 1.00 0.00 O ATOM 0 H GLY A 31 8.990 -1.272 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.124 1.313 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.883 0.245 -5.655 1.00 0.00 H new ATOM 501 N ARG A 32 6.228 -0.941 -5.951 1.00 0.00 N ATOM 502 CA ARG A 32 4.946 -1.111 -6.631 1.00 0.00 C ATOM 503 C ARG A 32 3.828 -0.390 -5.885 1.00 0.00 C ATOM 504 O ARG A 32 3.056 0.349 -6.484 1.00 0.00 O ATOM 505 CB ARG A 32 4.595 -2.595 -6.762 1.00 0.00 C ATOM 506 CG ARG A 32 3.207 -2.855 -7.351 1.00 0.00 C ATOM 507 CD ARG A 32 3.072 -2.291 -8.763 1.00 0.00 C ATOM 508 NE ARG A 32 4.064 -2.846 -9.683 1.00 0.00 N ATOM 509 CZ ARG A 32 4.068 -2.615 -10.997 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.088 -1.912 -11.556 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.042 -3.099 -11.757 1.00 0.00 N ATOM 0 H ARG A 32 6.672 -1.811 -5.656 1.00 0.00 H new ATOM 0 HA ARG A 32 5.043 -0.676 -7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.342 -3.081 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.654 -3.060 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.016 -3.928 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.450 -2.407 -6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.072 -2.502 -9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.178 -1.207 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 32 4.795 -3.444 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.329 -1.547 -10.980 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.095 -1.738 -12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.791 -3.650 -11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.042 -2.920 -12.761 1.00 0.00 H new ATOM 525 N VAL A 33 3.757 -0.593 -4.575 1.00 0.00 N ATOM 526 CA VAL A 33 2.642 -0.076 -3.781 1.00 0.00 C ATOM 527 C VAL A 33 2.677 1.441 -3.700 1.00 0.00 C ATOM 528 O VAL A 33 1.655 2.092 -3.906 1.00 0.00 O ATOM 529 CB VAL A 33 2.616 -0.666 -2.364 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.182 -0.876 -1.934 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.390 -1.970 -2.291 1.00 0.00 C ATOM 0 H VAL A 33 4.454 -1.110 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 33 1.732 -0.385 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 33 3.100 0.038 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.161 -1.295 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.657 0.079 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.692 -1.564 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.351 -2.360 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.947 -2.695 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.428 -1.793 -2.572 1.00 0.00 H new ATOM 541 N VAL A 34 3.851 2.001 -3.419 1.00 0.00 N ATOM 542 CA VAL A 34 4.028 3.459 -3.434 1.00 0.00 C ATOM 543 C VAL A 34 3.505 4.020 -4.750 1.00 0.00 C ATOM 544 O VAL A 34 2.843 5.056 -4.784 1.00 0.00 O ATOM 545 CB VAL A 34 5.521 3.870 -3.226 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.395 2.651 -3.185 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.030 4.833 -4.298 1.00 0.00 C ATOM 0 H VAL A 34 4.692 1.475 -3.179 1.00 0.00 H new ATOM 0 HA VAL A 34 3.460 3.876 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 34 5.568 4.396 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.433 2.952 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.085 2.008 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.304 2.106 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.073 5.081 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.950 4.362 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.431 5.744 -4.283 1.00 0.00 H new ATOM 557 N HIS A 35 3.789 3.297 -5.821 1.00 0.00 N ATOM 558 CA HIS A 35 3.310 3.659 -7.146 1.00 0.00 C ATOM 559 C HIS A 35 1.791 3.497 -7.249 1.00 0.00 C ATOM 560 O HIS A 35 1.112 4.370 -7.789 1.00 0.00 O ATOM 561 CB HIS A 35 4.014 2.816 -8.213 1.00 0.00 C ATOM 562 CG HIS A 35 3.627 3.164 -9.619 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.151 4.241 -10.302 1.00 0.00 N ATOM 564 CD2 HIS A 35 2.765 2.565 -10.476 1.00 0.00 C ATOM 565 CE1 HIS A 35 3.624 4.290 -11.512 1.00 0.00 C ATOM 566 NE2 HIS A 35 2.783 3.285 -11.642 1.00 0.00 N ATOM 0 H HIS A 35 4.354 2.448 -5.798 1.00 0.00 H new ATOM 0 HA HIS A 35 3.546 4.709 -7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.092 2.936 -8.103 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.791 1.764 -8.036 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.173 1.684 -10.277 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.845 5.029 -12.267 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.234 3.076 -12.476 1.00 0.00 H new ATOM 575 N ILE A 36 1.261 2.384 -6.734 1.00 0.00 N ATOM 576 CA ILE A 36 -0.180 2.127 -6.783 1.00 0.00 C ATOM 577 C ILE A 36 -0.957 3.247 -6.099 1.00 0.00 C ATOM 578 O ILE A 36 -1.878 3.814 -6.686 1.00 0.00 O ATOM 579 CB ILE A 36 -0.589 0.774 -6.139 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.168 -0.396 -6.778 1.00 0.00 C ATOM 581 CG2 ILE A 36 -2.094 0.562 -6.291 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.302 -1.762 -6.316 1.00 0.00 C ATOM 0 H ILE A 36 1.805 1.650 -6.281 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.430 2.081 -7.843 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.330 0.809 -5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.063 -0.335 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.230 -0.294 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.375 -0.388 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.628 1.373 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.355 0.550 -7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.283 -2.536 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.171 -1.846 -5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.356 -1.887 -6.565 1.00 0.00 H new ATOM 594 N ILE A 37 -0.575 3.579 -4.868 1.00 0.00 N ATOM 595 CA ILE A 37 -1.285 4.609 -4.118 1.00 0.00 C ATOM 596 C ILE A 37 -1.192 5.957 -4.825 1.00 0.00 C ATOM 597 O ILE A 37 -2.204 6.611 -5.048 1.00 0.00 O ATOM 598 CB ILE A 37 -0.776 4.770 -2.667 1.00 0.00 C ATOM 599 CG1 ILE A 37 -0.948 3.475 -1.873 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.547 5.885 -1.989 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.350 2.877 -1.379 1.00 0.00 C ATOM 0 H ILE A 37 0.211 3.156 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.322 4.276 -4.072 1.00 0.00 H new ATOM 0 HB ILE A 37 0.287 5.011 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.595 3.669 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.458 2.743 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.192 6.003 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.396 6.816 -2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.609 5.639 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.141 1.961 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.992 2.649 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.853 3.589 -0.725 1.00 0.00 H new ATOM 613 N GLN A 38 0.022 6.357 -5.184 1.00 0.00 N ATOM 614 CA GLN A 38 0.241 7.631 -5.870 1.00 0.00 C ATOM 615 C GLN A 38 -0.549 7.715 -7.173 1.00 0.00 C ATOM 616 O GLN A 38 -1.039 8.783 -7.546 1.00 0.00 O ATOM 617 CB GLN A 38 1.730 7.852 -6.162 1.00 0.00 C ATOM 618 CG GLN A 38 2.557 8.221 -4.935 1.00 0.00 C ATOM 619 CD GLN A 38 3.577 9.301 -5.238 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.378 10.126 -6.130 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.665 9.321 -4.487 1.00 0.00 N ATOM 0 H GLN A 38 0.872 5.820 -5.013 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.113 8.414 -5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.141 6.945 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.830 8.643 -6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.893 8.562 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.069 7.333 -4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.794 8.620 -3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.375 10.037 -4.637 1.00 0.00 H new ATOM 630 N SER A 39 -0.668 6.592 -7.866 1.00 0.00 N ATOM 631 CA SER A 39 -1.389 6.548 -9.127 1.00 0.00 C ATOM 632 C SER A 39 -2.894 6.680 -8.902 1.00 0.00 C ATOM 633 O SER A 39 -3.573 7.425 -9.612 1.00 0.00 O ATOM 634 CB SER A 39 -1.072 5.247 -9.870 1.00 0.00 C ATOM 635 OG SER A 39 -1.779 5.161 -11.096 1.00 0.00 O ATOM 0 H SER A 39 -0.273 5.698 -7.574 1.00 0.00 H new ATOM 0 HA SER A 39 -1.064 7.391 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.001 5.189 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.330 4.395 -9.240 1.00 0.00 H new ATOM 0 HG SER A 39 -1.553 4.320 -11.546 1.00 0.00 H new ATOM 641 N ARG A 40 -3.413 5.971 -7.907 1.00 0.00 N ATOM 642 CA ARG A 40 -4.847 5.961 -7.658 1.00 0.00 C ATOM 643 C ARG A 40 -5.284 7.203 -6.891 1.00 0.00 C ATOM 644 O ARG A 40 -6.383 7.717 -7.101 1.00 0.00 O ATOM 645 CB ARG A 40 -5.254 4.711 -6.887 1.00 0.00 C ATOM 646 CG ARG A 40 -4.823 3.413 -7.555 1.00 0.00 C ATOM 647 CD ARG A 40 -5.862 2.329 -7.380 1.00 0.00 C ATOM 648 NE ARG A 40 -7.161 2.731 -7.916 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.054 1.888 -8.433 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.794 0.588 -8.499 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.209 2.351 -8.891 1.00 0.00 N ATOM 0 H ARG A 40 -2.866 5.399 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.346 5.959 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.823 4.755 -5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.337 4.705 -6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.654 3.588 -8.617 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.875 3.082 -7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.527 1.421 -7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.964 2.090 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.400 3.722 -7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.905 0.227 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.483 -0.050 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.412 3.350 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.895 1.708 -9.287 1.00 0.00 H new ATOM 665 N GLU A 41 -4.428 7.671 -5.996 1.00 0.00 N ATOM 666 CA GLU A 41 -4.714 8.858 -5.200 1.00 0.00 C ATOM 667 C GLU A 41 -3.832 10.030 -5.634 1.00 0.00 C ATOM 668 O GLU A 41 -2.743 10.229 -5.093 1.00 0.00 O ATOM 669 CB GLU A 41 -4.483 8.573 -3.717 1.00 0.00 C ATOM 670 CG GLU A 41 -5.203 7.340 -3.194 1.00 0.00 C ATOM 671 CD GLU A 41 -6.679 7.311 -3.540 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.311 8.388 -3.610 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.213 6.207 -3.743 1.00 0.00 O ATOM 0 H GLU A 41 -3.522 7.244 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.759 9.124 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.413 8.454 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.805 9.439 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.725 6.449 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.091 7.295 -2.111 1.00 0.00 H new ATOM 680 N PRO A 42 -4.290 10.837 -6.607 1.00 0.00 N ATOM 681 CA PRO A 42 -3.523 11.982 -7.118 1.00 0.00 C ATOM 682 C PRO A 42 -3.303 13.077 -6.070 1.00 0.00 C ATOM 683 O PRO A 42 -2.468 13.964 -6.255 1.00 0.00 O ATOM 684 CB PRO A 42 -4.383 12.517 -8.271 1.00 0.00 C ATOM 685 CG PRO A 42 -5.339 11.421 -8.593 1.00 0.00 C ATOM 686 CD PRO A 42 -5.577 10.691 -7.306 1.00 0.00 C ATOM 0 HA PRO A 42 -2.520 11.678 -7.418 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.910 13.425 -7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.769 12.769 -9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.271 11.821 -8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.927 10.754 -9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.398 11.129 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.829 9.644 -7.475 1.00 0.00 H new ATOM 694 N SER A 43 -4.043 13.012 -4.967 1.00 0.00 N ATOM 695 CA SER A 43 -3.937 14.014 -3.912 1.00 0.00 C ATOM 696 C SER A 43 -2.625 13.885 -3.139 1.00 0.00 C ATOM 697 O SER A 43 -2.195 14.827 -2.473 1.00 0.00 O ATOM 698 CB SER A 43 -5.120 13.895 -2.950 1.00 0.00 C ATOM 699 OG SER A 43 -6.349 14.055 -3.635 1.00 0.00 O ATOM 0 H SER A 43 -4.723 12.275 -4.781 1.00 0.00 H new ATOM 0 HA SER A 43 -3.951 14.995 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.097 12.922 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.035 14.649 -2.168 1.00 0.00 H new ATOM 0 HG SER A 43 -7.091 13.973 -3.000 1.00 0.00 H new ATOM 705 N LEU A 44 -1.981 12.729 -3.232 1.00 0.00 N ATOM 706 CA LEU A 44 -0.725 12.516 -2.526 1.00 0.00 C ATOM 707 C LEU A 44 0.416 12.259 -3.501 1.00 0.00 C ATOM 708 O LEU A 44 1.490 11.808 -3.112 1.00 0.00 O ATOM 709 CB LEU A 44 -0.857 11.368 -1.511 1.00 0.00 C ATOM 710 CG LEU A 44 -1.386 10.038 -2.054 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.253 9.185 -2.606 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.136 9.290 -0.963 1.00 0.00 C ATOM 0 H LEU A 44 -2.303 11.933 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.490 13.427 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.122 11.190 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.517 11.696 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.074 10.250 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.656 8.246 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.244 9.720 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.466 8.977 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.508 8.345 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.463 9.093 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.975 9.894 -0.618 1.00 0.00 H new ATOM 724 N LYS A 45 0.193 12.577 -4.769 1.00 0.00 N ATOM 725 CA LYS A 45 1.230 12.382 -5.779 1.00 0.00 C ATOM 726 C LYS A 45 2.335 13.425 -5.622 1.00 0.00 C ATOM 727 O LYS A 45 3.394 13.318 -6.241 1.00 0.00 O ATOM 728 CB LYS A 45 0.655 12.429 -7.204 1.00 0.00 C ATOM 729 CG LYS A 45 0.324 13.826 -7.705 1.00 0.00 C ATOM 730 CD LYS A 45 -0.263 13.809 -9.115 1.00 0.00 C ATOM 731 CE LYS A 45 0.802 13.703 -10.187 1.00 0.00 C ATOM 732 NZ LYS A 45 1.443 12.360 -10.252 1.00 0.00 N ATOM 0 H LYS A 45 -0.682 12.965 -5.121 1.00 0.00 H new ATOM 0 HA LYS A 45 1.653 11.389 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.372 11.972 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.249 11.821 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.385 14.296 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.227 14.437 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.952 12.969 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.844 14.717 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.357 13.932 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.569 14.455 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.669 12.131 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.317 12.365 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.790 11.645 -9.872 1.00 0.00 H new ATOM 746 N ASN A 46 2.081 14.431 -4.790 1.00 0.00 N ATOM 747 CA ASN A 46 3.054 15.491 -4.548 1.00 0.00 C ATOM 748 C ASN A 46 4.083 15.045 -3.515 1.00 0.00 C ATOM 749 O ASN A 46 5.127 15.679 -3.352 1.00 0.00 O ATOM 750 CB ASN A 46 2.359 16.775 -4.070 1.00 0.00 C ATOM 751 CG ASN A 46 1.890 16.699 -2.627 1.00 0.00 C ATOM 752 OD1 ASN A 46 2.624 17.058 -1.706 1.00 0.00 O ATOM 753 ND2 ASN A 46 0.665 16.242 -2.418 1.00 0.00 N ATOM 0 H ASN A 46 1.209 14.534 -4.272 1.00 0.00 H new ATOM 0 HA ASN A 46 3.562 15.701 -5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.046 17.614 -4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.503 16.978 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.300 16.178 -1.468 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.087 15.954 -3.207 1.00 0.00 H new ATOM 760 N SER A 47 3.780 13.960 -2.813 1.00 0.00 N ATOM 761 CA SER A 47 4.677 13.432 -1.802 1.00 0.00 C ATOM 762 C SER A 47 5.958 12.918 -2.451 1.00 0.00 C ATOM 763 O SER A 47 5.911 12.278 -3.506 1.00 0.00 O ATOM 764 CB SER A 47 3.984 12.306 -1.031 1.00 0.00 C ATOM 765 OG SER A 47 2.727 12.736 -0.540 1.00 0.00 O ATOM 0 H SER A 47 2.916 13.430 -2.929 1.00 0.00 H new ATOM 0 HA SER A 47 4.937 14.230 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.850 11.442 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.614 11.985 -0.201 1.00 0.00 H new ATOM 0 HG SER A 47 2.035 12.558 -1.211 1.00 0.00 H new ATOM 771 N ASN A 48 7.100 13.215 -1.831 1.00 0.00 N ATOM 772 CA ASN A 48 8.386 12.758 -2.343 1.00 0.00 C ATOM 773 C ASN A 48 8.370 11.243 -2.428 1.00 0.00 C ATOM 774 O ASN A 48 8.041 10.572 -1.452 1.00 0.00 O ATOM 775 CB ASN A 48 9.538 13.198 -1.434 1.00 0.00 C ATOM 776 CG ASN A 48 9.607 14.697 -1.230 1.00 0.00 C ATOM 777 OD1 ASN A 48 9.174 15.478 -2.076 1.00 0.00 O ATOM 778 ND2 ASN A 48 10.176 15.107 -0.106 1.00 0.00 N ATOM 0 H ASN A 48 7.158 13.769 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 48 8.542 13.199 -3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.431 12.712 -0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.480 12.854 -1.861 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.268 16.105 0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.522 14.425 0.569 1.00 0.00 H new ATOM 785 N PRO A 49 8.725 10.680 -3.596 1.00 0.00 N ATOM 786 CA PRO A 49 8.609 9.242 -3.847 1.00 0.00 C ATOM 787 C PRO A 49 9.424 8.404 -2.876 1.00 0.00 C ATOM 788 O PRO A 49 9.129 7.235 -2.672 1.00 0.00 O ATOM 789 CB PRO A 49 9.126 9.063 -5.274 1.00 0.00 C ATOM 790 CG PRO A 49 9.909 10.298 -5.565 1.00 0.00 C ATOM 791 CD PRO A 49 9.276 11.398 -4.759 1.00 0.00 C ATOM 0 HA PRO A 49 7.581 8.904 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.749 8.173 -5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.303 8.944 -5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.956 10.168 -5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.885 10.532 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.005 12.151 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.497 11.914 -5.321 1.00 0.00 H new ATOM 799 N ASP A 50 10.428 9.011 -2.263 1.00 0.00 N ATOM 800 CA ASP A 50 11.273 8.309 -1.311 1.00 0.00 C ATOM 801 C ASP A 50 10.581 8.222 0.052 1.00 0.00 C ATOM 802 O ASP A 50 10.759 7.254 0.789 1.00 0.00 O ATOM 803 CB ASP A 50 12.624 9.017 -1.162 1.00 0.00 C ATOM 804 CG ASP A 50 13.229 9.435 -2.486 1.00 0.00 C ATOM 805 OD1 ASP A 50 13.915 8.617 -3.126 1.00 0.00 O ATOM 806 OD2 ASP A 50 13.031 10.602 -2.889 1.00 0.00 O ATOM 0 H ASP A 50 10.677 9.989 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 50 11.445 7.301 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.497 9.899 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.319 8.355 -0.646 1.00 0.00 H new ATOM 811 N GLU A 51 9.751 9.221 0.347 1.00 0.00 N ATOM 812 CA GLU A 51 9.073 9.345 1.637 1.00 0.00 C ATOM 813 C GLU A 51 7.605 9.680 1.411 1.00 0.00 C ATOM 814 O GLU A 51 7.140 10.753 1.799 1.00 0.00 O ATOM 815 CB GLU A 51 9.717 10.470 2.464 1.00 0.00 C ATOM 816 CG GLU A 51 10.944 10.042 3.236 1.00 0.00 C ATOM 817 CD GLU A 51 11.658 11.211 3.875 1.00 0.00 C ATOM 818 OE1 GLU A 51 12.514 11.829 3.203 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.370 11.520 5.051 1.00 0.00 O ATOM 0 H GLU A 51 9.528 9.972 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 51 9.162 8.400 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.988 11.288 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.978 10.861 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.654 9.330 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.629 9.523 2.566 1.00 0.00 H new ATOM 826 N ILE A 52 6.877 8.773 0.780 1.00 0.00 N ATOM 827 CA ILE A 52 5.534 9.086 0.322 1.00 0.00 C ATOM 828 C ILE A 52 4.540 9.101 1.478 1.00 0.00 C ATOM 829 O ILE A 52 4.720 8.401 2.475 1.00 0.00 O ATOM 830 CB ILE A 52 5.068 8.121 -0.781 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.627 6.804 -0.214 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.188 7.869 -1.768 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.784 6.032 -1.193 1.00 0.00 C ATOM 0 H ILE A 52 7.189 7.824 0.575 1.00 0.00 H new ATOM 0 HA ILE A 52 5.571 10.088 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 52 4.222 8.592 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.502 6.213 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.059 6.973 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.843 7.184 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.489 8.812 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.039 7.429 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.484 5.084 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.896 6.612 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.361 5.840 -2.098 1.00 0.00 H new ATOM 845 N GLU A 53 3.502 9.910 1.329 1.00 0.00 N ATOM 846 CA GLU A 53 2.542 10.150 2.386 1.00 0.00 C ATOM 847 C GLU A 53 1.218 9.459 2.060 1.00 0.00 C ATOM 848 O GLU A 53 0.534 9.839 1.110 1.00 0.00 O ATOM 849 CB GLU A 53 2.333 11.662 2.502 1.00 0.00 C ATOM 850 CG GLU A 53 2.243 12.195 3.921 1.00 0.00 C ATOM 851 CD GLU A 53 1.288 11.422 4.797 1.00 0.00 C ATOM 852 OE1 GLU A 53 0.061 11.645 4.685 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.772 10.608 5.611 1.00 0.00 O ATOM 0 H GLU A 53 3.305 10.418 0.467 1.00 0.00 H new ATOM 0 HA GLU A 53 2.911 9.748 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.154 12.166 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.418 11.928 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.235 12.173 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.930 13.239 3.889 1.00 0.00 H new ATOM 860 N ILE A 54 0.858 8.450 2.840 1.00 0.00 N ATOM 861 CA ILE A 54 -0.396 7.727 2.612 1.00 0.00 C ATOM 862 C ILE A 54 -1.428 8.161 3.639 1.00 0.00 C ATOM 863 O ILE A 54 -1.100 8.294 4.813 1.00 0.00 O ATOM 864 CB ILE A 54 -0.252 6.192 2.754 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.005 5.645 2.071 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.483 5.507 2.186 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.007 5.776 0.574 1.00 0.00 C ATOM 0 H ILE A 54 1.407 8.112 3.630 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.694 7.962 1.590 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.155 5.978 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.876 6.165 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.116 4.592 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.378 4.427 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.367 5.838 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.588 5.764 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.933 5.364 0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.159 5.231 0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.930 6.828 0.301 1.00 0.00 H new ATOM 879 N ASP A 55 -2.663 8.385 3.215 1.00 0.00 N ATOM 880 CA ASP A 55 -3.732 8.642 4.168 1.00 0.00 C ATOM 881 C ASP A 55 -4.826 7.605 3.995 1.00 0.00 C ATOM 882 O ASP A 55 -5.706 7.751 3.146 1.00 0.00 O ATOM 883 CB ASP A 55 -4.304 10.047 4.013 1.00 0.00 C ATOM 884 CG ASP A 55 -5.225 10.399 5.163 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.394 9.964 5.156 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.777 11.099 6.096 1.00 0.00 O ATOM 0 H ASP A 55 -2.947 8.394 2.235 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.315 8.571 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.489 10.770 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.851 10.117 3.073 1.00 0.00 H new ATOM 891 N PHE A 56 -4.776 6.563 4.808 1.00 0.00 N ATOM 892 CA PHE A 56 -5.615 5.392 4.608 1.00 0.00 C ATOM 893 C PHE A 56 -7.107 5.676 4.747 1.00 0.00 C ATOM 894 O PHE A 56 -7.932 4.859 4.342 1.00 0.00 O ATOM 895 CB PHE A 56 -5.184 4.275 5.548 1.00 0.00 C ATOM 896 CG PHE A 56 -4.305 3.288 4.858 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.964 3.549 4.652 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.836 2.116 4.382 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.169 2.643 3.976 1.00 0.00 C ATOM 900 CE2 PHE A 56 -4.053 1.207 3.712 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.718 1.467 3.505 1.00 0.00 C ATOM 0 H PHE A 56 -4.159 6.504 5.618 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.471 5.077 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.656 4.700 6.401 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.065 3.767 5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.534 4.468 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.884 1.905 4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.122 2.854 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.486 0.287 3.347 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.102 0.754 2.976 1.00 0.00 H new ATOM 911 N GLU A 57 -7.457 6.830 5.290 1.00 0.00 N ATOM 912 CA GLU A 57 -8.854 7.196 5.441 1.00 0.00 C ATOM 913 C GLU A 57 -9.372 7.978 4.241 1.00 0.00 C ATOM 914 O GLU A 57 -10.550 8.337 4.189 1.00 0.00 O ATOM 915 CB GLU A 57 -9.039 7.997 6.720 1.00 0.00 C ATOM 916 CG GLU A 57 -8.871 7.159 7.972 1.00 0.00 C ATOM 917 CD GLU A 57 -9.981 6.139 8.127 1.00 0.00 C ATOM 918 OE1 GLU A 57 -10.076 5.220 7.287 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.779 6.259 9.077 1.00 0.00 O ATOM 0 H GLU A 57 -6.795 7.527 5.632 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.437 6.277 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.319 8.815 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.032 8.446 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.910 6.646 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.854 7.811 8.845 1.00 0.00 H new ATOM 926 N THR A 58 -8.502 8.241 3.277 1.00 0.00 N ATOM 927 CA THR A 58 -8.901 8.981 2.088 1.00 0.00 C ATOM 928 C THR A 58 -8.588 8.217 0.806 1.00 0.00 C ATOM 929 O THR A 58 -8.920 8.671 -0.288 1.00 0.00 O ATOM 930 CB THR A 58 -8.226 10.361 2.038 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.805 10.212 2.115 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.705 11.224 3.189 1.00 0.00 C ATOM 0 H THR A 58 -7.523 7.956 3.293 1.00 0.00 H new ATOM 0 HA THR A 58 -9.981 9.112 2.155 1.00 0.00 H new ATOM 0 HB THR A 58 -8.491 10.843 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.585 9.282 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.218 12.198 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.785 11.354 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.456 10.741 4.134 1.00 0.00 H new ATOM 940 N LEU A 59 -7.937 7.064 0.934 1.00 0.00 N ATOM 941 CA LEU A 59 -7.692 6.212 -0.231 1.00 0.00 C ATOM 942 C LEU A 59 -9.016 5.619 -0.690 1.00 0.00 C ATOM 943 O LEU A 59 -9.898 5.354 0.129 1.00 0.00 O ATOM 944 CB LEU A 59 -6.725 5.059 0.077 1.00 0.00 C ATOM 945 CG LEU A 59 -5.569 5.373 1.024 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.678 4.152 1.190 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.767 6.574 0.539 1.00 0.00 C ATOM 0 H LEU A 59 -7.574 6.701 1.815 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.238 6.833 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.300 4.236 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.307 4.703 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.986 5.631 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.858 4.389 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.262 3.329 1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.275 3.861 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.951 6.772 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.358 6.363 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.417 7.447 0.484 1.00 0.00 H new ATOM 959 N LYS A 60 -9.164 5.431 -1.984 1.00 0.00 N ATOM 960 CA LYS A 60 -10.349 4.786 -2.531 1.00 0.00 C ATOM 961 C LYS A 60 -10.383 3.314 -2.114 1.00 0.00 C ATOM 962 O LYS A 60 -9.334 2.685 -1.947 1.00 0.00 O ATOM 963 CB LYS A 60 -10.332 4.914 -4.058 1.00 0.00 C ATOM 964 CG LYS A 60 -10.228 6.353 -4.545 1.00 0.00 C ATOM 965 CD LYS A 60 -10.190 6.440 -6.060 1.00 0.00 C ATOM 966 CE LYS A 60 -10.043 7.881 -6.521 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.771 8.495 -6.050 1.00 0.00 N ATOM 0 H LYS A 60 -8.478 5.715 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.244 5.271 -2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.492 4.343 -4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.240 4.466 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.077 6.925 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.329 6.811 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.359 5.846 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.103 6.013 -6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.081 7.918 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.885 8.466 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.657 9.433 -6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.795 8.593 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.971 7.888 -6.322 1.00 0.00 H new ATOM 981 N PRO A 61 -11.596 2.752 -1.919 1.00 0.00 N ATOM 982 CA PRO A 61 -11.771 1.348 -1.518 1.00 0.00 C ATOM 983 C PRO A 61 -11.100 0.389 -2.494 1.00 0.00 C ATOM 984 O PRO A 61 -10.652 -0.698 -2.114 1.00 0.00 O ATOM 985 CB PRO A 61 -13.290 1.136 -1.543 1.00 0.00 C ATOM 986 CG PRO A 61 -13.896 2.500 -1.485 1.00 0.00 C ATOM 987 CD PRO A 61 -12.885 3.455 -2.068 1.00 0.00 C ATOM 0 HA PRO A 61 -11.320 1.152 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.596 0.611 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.613 0.529 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.828 2.533 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.136 2.772 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.101 3.674 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.883 4.407 -1.537 1.00 0.00 H new ATOM 995 N SER A 62 -11.032 0.807 -3.749 1.00 0.00 N ATOM 996 CA SER A 62 -10.394 0.025 -4.789 1.00 0.00 C ATOM 997 C SER A 62 -8.881 0.047 -4.619 1.00 0.00 C ATOM 998 O SER A 62 -8.201 -0.947 -4.871 1.00 0.00 O ATOM 999 CB SER A 62 -10.800 0.581 -6.153 1.00 0.00 C ATOM 1000 OG SER A 62 -10.803 2.000 -6.130 1.00 0.00 O ATOM 0 H SER A 62 -11.417 1.695 -4.071 1.00 0.00 H new ATOM 0 HA SER A 62 -10.719 -1.013 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.109 0.225 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.790 0.214 -6.422 1.00 0.00 H new ATOM 0 HG SER A 62 -11.063 2.341 -7.011 1.00 0.00 H new ATOM 1006 N THR A 63 -8.366 1.185 -4.168 1.00 0.00 N ATOM 1007 CA THR A 63 -6.950 1.324 -3.885 1.00 0.00 C ATOM 1008 C THR A 63 -6.558 0.372 -2.765 1.00 0.00 C ATOM 1009 O THR A 63 -5.622 -0.407 -2.908 1.00 0.00 O ATOM 1010 CB THR A 63 -6.588 2.780 -3.500 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.312 3.681 -4.345 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.097 3.028 -3.670 1.00 0.00 C ATOM 0 H THR A 63 -8.915 2.027 -3.991 1.00 0.00 H new ATOM 0 HA THR A 63 -6.395 1.074 -4.789 1.00 0.00 H new ATOM 0 HB THR A 63 -6.853 2.942 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.136 4.604 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.865 4.057 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.539 2.346 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.816 2.859 -4.710 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.321 0.402 -1.676 1.00 0.00 N ATOM 1021 CA LEU A 64 -7.069 -0.465 -0.526 1.00 0.00 C ATOM 1022 C LEU A 64 -7.025 -1.935 -0.922 1.00 0.00 C ATOM 1023 O LEU A 64 -6.153 -2.677 -0.480 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.148 -0.260 0.541 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.089 1.071 1.287 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.276 1.221 2.226 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.801 1.175 2.068 1.00 0.00 C ATOM 0 H LEU A 64 -8.124 1.021 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.094 -0.191 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.125 -0.348 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.073 -1.068 1.269 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.128 1.874 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.211 2.177 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.202 1.183 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.268 0.411 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.771 2.128 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.746 0.360 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.955 1.112 1.384 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.941 -2.348 -1.778 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.033 -3.749 -2.151 1.00 0.00 C ATOM 1041 C ARG A 65 -6.964 -4.114 -3.169 1.00 0.00 C ATOM 1042 O ARG A 65 -6.665 -5.286 -3.361 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.429 -4.082 -2.683 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.387 -4.628 -1.623 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.878 -5.897 -0.949 1.00 0.00 C ATOM 1046 NE ARG A 65 -10.889 -6.444 -0.042 1.00 0.00 N ATOM 1047 CZ ARG A 65 -10.779 -7.595 0.619 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -9.655 -8.293 0.584 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -11.795 -8.031 1.352 1.00 0.00 N ATOM 0 H ARG A 65 -8.627 -1.740 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.861 -4.346 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.863 -3.183 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.335 -4.814 -3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.553 -3.863 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.352 -4.833 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.622 -6.639 -1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.965 -5.679 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.743 -5.902 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.859 -7.951 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.585 -9.173 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.655 -7.485 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.716 -8.912 1.860 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.375 -3.111 -3.808 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.272 -3.340 -4.717 1.00 0.00 C ATOM 1065 C GLU A 66 -3.972 -3.399 -3.928 1.00 0.00 C ATOM 1066 O GLU A 66 -3.096 -4.216 -4.208 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.232 -2.230 -5.770 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.059 -2.323 -6.734 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.108 -3.572 -7.593 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.603 -4.627 -7.163 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.667 -3.506 -8.708 1.00 0.00 O ATOM 0 H GLU A 66 -6.647 -2.133 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.405 -4.291 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.160 -2.254 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.195 -1.266 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.052 -1.444 -7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.127 -2.312 -6.169 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.882 -2.559 -2.905 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.715 -2.510 -2.054 1.00 0.00 C ATOM 1080 C LEU A 67 -2.623 -3.809 -1.267 1.00 0.00 C ATOM 1081 O LEU A 67 -1.603 -4.497 -1.286 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.832 -1.320 -1.090 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.070 0.037 -1.755 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.142 1.132 -0.706 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.985 0.339 -2.766 1.00 0.00 C ATOM 0 H LEU A 67 -4.615 -1.898 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.817 -2.387 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.649 -1.515 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.918 -1.261 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.023 -0.002 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.312 2.092 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.962 0.924 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.204 1.167 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.176 1.309 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.017 0.359 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.980 -0.433 -3.536 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.732 -4.154 -0.626 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.799 -5.334 0.226 1.00 0.00 C ATOM 1099 C GLU A 68 -3.637 -6.616 -0.587 1.00 0.00 C ATOM 1100 O GLU A 68 -2.793 -7.455 -0.265 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.125 -5.383 0.979 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.208 -6.543 1.946 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.602 -7.117 2.034 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.055 -7.718 1.040 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -7.242 -6.980 3.098 1.00 0.00 O ATOM 0 H GLU A 68 -4.604 -3.628 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.978 -5.263 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.262 -4.450 1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.942 -5.455 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.515 -7.324 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.891 -6.212 2.935 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.459 -6.777 -1.630 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.394 -7.976 -2.475 1.00 0.00 C ATOM 1114 C ARG A 69 -2.980 -8.211 -3.003 1.00 0.00 C ATOM 1115 O ARG A 69 -2.524 -9.353 -3.109 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.370 -7.878 -3.644 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.446 -9.146 -4.466 1.00 0.00 C ATOM 1118 CD ARG A 69 -6.039 -8.884 -5.842 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.325 -7.826 -6.560 1.00 0.00 N ATOM 1120 CZ ARG A 69 -5.212 -7.771 -7.886 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.738 -8.727 -8.641 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -4.574 -6.754 -8.455 1.00 0.00 N ATOM 0 H ARG A 69 -5.170 -6.100 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.676 -8.823 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.363 -7.641 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.072 -7.052 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.448 -9.571 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.052 -9.885 -3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.010 -9.802 -6.429 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.088 -8.606 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.887 -7.086 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.231 -9.507 -8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.650 -8.682 -9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.171 -6.017 -7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.487 -6.711 -9.470 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.283 -7.133 -3.310 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.938 -7.232 -3.851 1.00 0.00 C ATOM 1138 C TYR A 70 0.061 -7.639 -2.778 1.00 0.00 C ATOM 1139 O TYR A 70 0.832 -8.575 -2.968 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.515 -5.908 -4.491 1.00 0.00 C ATOM 1141 CG TYR A 70 0.968 -5.817 -4.763 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.544 -6.453 -5.855 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.794 -5.108 -3.906 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.903 -6.377 -6.086 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.154 -5.030 -4.129 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.703 -5.667 -5.221 1.00 0.00 C ATOM 1147 OH TYR A 70 5.058 -5.594 -5.446 1.00 0.00 O ATOM 0 H TYR A 70 -2.624 -6.179 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.947 -8.007 -4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.057 -5.777 -5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.807 -5.087 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.920 -7.015 -6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.367 -4.608 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.336 -6.873 -6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.784 -4.473 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 70 5.445 -4.887 -4.888 1.00 0.00 H new ATOM 1157 N VAL A 71 0.052 -6.946 -1.654 1.00 0.00 N ATOM 1158 CA VAL A 71 1.020 -7.221 -0.608 1.00 0.00 C ATOM 1159 C VAL A 71 0.825 -8.609 -0.028 1.00 0.00 C ATOM 1160 O VAL A 71 1.792 -9.324 0.192 1.00 0.00 O ATOM 1161 CB VAL A 71 0.962 -6.185 0.521 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.239 -4.801 -0.013 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.374 -6.218 1.230 1.00 0.00 C ATOM 0 H VAL A 71 -0.607 -6.197 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 71 2.002 -7.162 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 71 1.734 -6.441 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.193 -4.080 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.231 -4.777 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.493 -4.545 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.383 -5.472 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.169 -5.999 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.534 -7.207 1.659 1.00 0.00 H new ATOM 1173 N THR A 72 -0.426 -8.994 0.194 1.00 0.00 N ATOM 1174 CA THR A 72 -0.733 -10.295 0.769 1.00 0.00 C ATOM 1175 C THR A 72 -0.192 -11.414 -0.124 1.00 0.00 C ATOM 1176 O THR A 72 0.162 -12.490 0.361 1.00 0.00 O ATOM 1177 CB THR A 72 -2.254 -10.469 1.003 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.498 -11.539 1.917 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.983 -10.761 -0.291 1.00 0.00 C ATOM 0 H THR A 72 -1.244 -8.422 -0.016 1.00 0.00 H new ATOM 0 HA THR A 72 -0.243 -10.354 1.741 1.00 0.00 H new ATOM 0 HB THR A 72 -2.626 -9.532 1.416 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.463 -11.636 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.048 -10.877 -0.090 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.833 -9.936 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.594 -11.680 -0.729 1.00 0.00 H new ATOM 1187 N SER A 73 -0.103 -11.137 -1.425 1.00 0.00 N ATOM 1188 CA SER A 73 0.465 -12.087 -2.370 1.00 0.00 C ATOM 1189 C SER A 73 1.964 -12.259 -2.107 1.00 0.00 C ATOM 1190 O SER A 73 2.526 -13.330 -2.323 1.00 0.00 O ATOM 1191 CB SER A 73 0.222 -11.621 -3.817 1.00 0.00 C ATOM 1192 OG SER A 73 1.250 -10.760 -4.283 1.00 0.00 O ATOM 0 H SER A 73 -0.418 -10.262 -1.844 1.00 0.00 H new ATOM 0 HA SER A 73 -0.027 -13.050 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.155 -12.491 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.736 -11.104 -3.874 1.00 0.00 H new ATOM 0 HG SER A 73 1.341 -9.999 -3.673 1.00 0.00 H new ATOM 1198 N CYS A 74 2.590 -11.188 -1.622 1.00 0.00 N ATOM 1199 CA CYS A 74 4.026 -11.161 -1.381 1.00 0.00 C ATOM 1200 C CYS A 74 4.365 -11.616 0.045 1.00 0.00 C ATOM 1201 O CYS A 74 5.249 -12.452 0.239 1.00 0.00 O ATOM 1202 CB CYS A 74 4.569 -9.749 -1.640 1.00 0.00 C ATOM 1203 SG CYS A 74 6.368 -9.611 -1.550 1.00 0.00 S ATOM 0 H CYS A 74 2.114 -10.317 -1.386 1.00 0.00 H new ATOM 0 HA CYS A 74 4.502 -11.860 -2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.241 -9.422 -2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.128 -9.065 -0.915 1.00 0.00 H new ATOM 0 HG CYS A 74 6.844 -10.592 -0.842 1.00 0.00 H new ATOM 1209 N LEU A 75 3.672 -11.051 1.040 1.00 0.00 N ATOM 1210 CA LEU A 75 3.881 -11.414 2.448 1.00 0.00 C ATOM 1211 C LEU A 75 3.779 -12.915 2.641 1.00 0.00 C ATOM 1212 O LEU A 75 4.613 -13.530 3.305 1.00 0.00 O ATOM 1213 CB LEU A 75 2.830 -10.758 3.344 1.00 0.00 C ATOM 1214 CG LEU A 75 2.433 -9.346 2.972 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.227 -8.928 3.781 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.593 -8.409 3.208 1.00 0.00 C ATOM 0 H LEU A 75 2.958 -10.337 0.896 1.00 0.00 H new ATOM 0 HA LEU A 75 4.877 -11.066 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.935 -11.380 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.206 -10.752 4.367 1.00 0.00 H new ATOM 0 HG LEU A 75 2.171 -9.306 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.943 -7.911 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.397 -9.604 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.470 -8.968 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.301 -7.394 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.876 -8.438 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.440 -8.718 2.596 1.00 0.00 H new ATOM 1228 N ARG A 76 2.748 -13.495 2.045 1.00 0.00 N ATOM 1229 CA ARG A 76 2.456 -14.908 2.210 1.00 0.00 C ATOM 1230 C ARG A 76 3.195 -15.742 1.173 1.00 0.00 C ATOM 1231 O ARG A 76 2.757 -16.836 0.817 1.00 0.00 O ATOM 1232 CB ARG A 76 0.948 -15.134 2.117 1.00 0.00 C ATOM 1233 CG ARG A 76 0.184 -14.470 3.247 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.295 -14.364 2.931 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.053 -13.762 4.030 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.384 -13.724 4.083 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -4.109 -14.231 3.094 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.989 -13.157 5.117 1.00 0.00 N ATOM 0 H ARG A 76 2.094 -13.001 1.437 1.00 0.00 H new ATOM 0 HA ARG A 76 2.801 -15.227 3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.585 -14.749 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.744 -16.205 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.321 -15.041 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.591 -13.475 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.430 -13.767 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.692 -15.357 2.719 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.531 -13.347 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.648 -14.653 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.127 -14.199 3.140 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.436 -12.750 5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.008 -13.127 5.158 1.00 0.00 H new ATOM 1443 N LEU B 204 1.074 6.602 6.332 1.00 0.00 N ATOM 1444 CA LEU B 204 2.110 5.620 6.062 1.00 0.00 C ATOM 1445 C LEU B 204 3.237 6.299 5.298 1.00 0.00 C ATOM 1446 O LEU B 204 3.084 6.629 4.124 1.00 0.00 O ATOM 1447 CB LEU B 204 1.544 4.465 5.221 1.00 0.00 C ATOM 1448 CG LEU B 204 2.250 3.099 5.330 1.00 0.00 C ATOM 1449 CD1 LEU B 204 1.790 2.195 4.198 1.00 0.00 C ATOM 1450 CD2 LEU B 204 3.765 3.229 5.305 1.00 0.00 C ATOM 0 HA LEU B 204 2.482 5.216 7.004 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.499 4.327 5.497 1.00 0.00 H new ATOM 0 HB3 LEU B 204 1.560 4.770 4.175 1.00 0.00 H new ATOM 0 HG LEU B 204 1.978 2.663 6.291 1.00 0.00 H new ATOM 0 HD11 LEU B 204 2.290 1.230 4.277 1.00 0.00 H new ATOM 0 HD12 LEU B 204 0.711 2.051 4.263 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.038 2.655 3.241 1.00 0.00 H new ATOM 0 HD21 LEU B 204 4.216 2.240 5.384 1.00 0.00 H new ATOM 0 HD22 LEU B 204 4.075 3.695 4.370 1.00 0.00 H new ATOM 0 HD23 LEU B 204 4.091 3.845 6.143 1.00 0.00 H new ATOM 1462 N LYS B 205 4.354 6.524 5.960 1.00 0.00 N ATOM 1463 CA LYS B 205 5.523 7.058 5.285 1.00 0.00 C ATOM 1464 C LYS B 205 6.335 5.931 4.679 1.00 0.00 C ATOM 1465 O LYS B 205 7.333 5.493 5.254 1.00 0.00 O ATOM 1466 CB LYS B 205 6.389 7.879 6.236 1.00 0.00 C ATOM 1467 CG LYS B 205 5.872 9.285 6.467 1.00 0.00 C ATOM 1468 CD LYS B 205 5.775 10.061 5.163 1.00 0.00 C ATOM 1469 CE LYS B 205 5.510 11.530 5.415 1.00 0.00 C ATOM 1470 NZ LYS B 205 4.340 11.738 6.312 1.00 0.00 N ATOM 0 H LYS B 205 4.478 6.348 6.957 1.00 0.00 H new ATOM 0 HA LYS B 205 5.179 7.720 4.490 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.453 7.362 7.194 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.401 7.934 5.836 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.891 9.241 6.940 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.534 9.809 7.156 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.702 9.948 4.600 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.976 9.645 4.549 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.394 11.987 5.860 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.334 12.035 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 4.024 12.727 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.565 11.107 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.613 11.526 7.293 1.00 0.00 H new ATOM 1484 N ILE B 206 5.891 5.450 3.529 1.00 0.00 N ATOM 1485 CA ILE B 206 6.605 4.397 2.832 1.00 0.00 C ATOM 1486 C ILE B 206 7.957 4.926 2.361 1.00 0.00 C ATOM 1487 O ILE B 206 8.017 5.781 1.475 1.00 0.00 O ATOM 1488 CB ILE B 206 5.840 3.862 1.600 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.378 3.552 1.900 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.490 2.597 1.131 1.00 0.00 C ATOM 1491 CD1 ILE B 206 3.643 2.948 0.721 1.00 0.00 C ATOM 0 H ILE B 206 5.043 5.771 3.062 1.00 0.00 H new ATOM 0 HA ILE B 206 6.720 3.575 3.539 1.00 0.00 H new ATOM 0 HB ILE B 206 5.874 4.644 0.842 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.325 2.865 2.744 1.00 0.00 H new ATOM 0 HG13 ILE B 206 3.873 4.469 2.203 1.00 0.00 H new ATOM 0 HG21 ILE B 206 5.955 2.214 0.262 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.526 2.799 0.860 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.462 1.856 1.930 1.00 0.00 H new ATOM 0 HD11 ILE B 206 2.608 2.751 1.000 1.00 0.00 H new ATOM 0 HD12 ILE B 206 3.667 3.644 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.125 2.014 0.431 1.00 0.00 H new ATOM 1503 N THR B 207 9.031 4.422 2.945 1.00 0.00 N ATOM 1504 CA THR B 207 10.366 4.893 2.619 1.00 0.00 C ATOM 1505 C THR B 207 11.116 3.892 1.745 1.00 0.00 C ATOM 1506 O THR B 207 11.422 2.778 2.181 1.00 0.00 O ATOM 1507 CB THR B 207 11.175 5.180 3.897 1.00 0.00 C ATOM 1508 OG1 THR B 207 10.997 4.117 4.843 1.00 0.00 O ATOM 1509 CG2 THR B 207 10.745 6.496 4.522 1.00 0.00 C ATOM 0 H THR B 207 9.004 3.685 3.649 1.00 0.00 H new ATOM 0 HA THR B 207 10.252 5.820 2.057 1.00 0.00 H new ATOM 0 HB THR B 207 12.228 5.249 3.625 1.00 0.00 H new ATOM 0 HG1 THR B 207 11.074 3.254 4.384 1.00 0.00 H new ATOM 0 HG21 THR B 207 11.330 6.679 5.424 1.00 0.00 H new ATOM 0 HG22 THR B 207 10.910 7.307 3.812 1.00 0.00 H new ATOM 0 HG23 THR B 207 9.687 6.448 4.779 1.00 0.00 H new ATOM 1517 N LYS B 208 11.404 4.301 0.508 1.00 0.00 N ATOM 1518 CA LYS B 208 12.123 3.460 -0.450 1.00 0.00 C ATOM 1519 C LYS B 208 12.346 4.214 -1.762 1.00 0.00 C ATOM 1520 O LYS B 208 12.227 5.435 -1.790 1.00 0.00 O ATOM 1521 CB LYS B 208 11.400 2.113 -0.690 1.00 0.00 C ATOM 1522 CG LYS B 208 10.143 2.156 -1.564 1.00 0.00 C ATOM 1523 CD LYS B 208 9.073 3.076 -1.014 1.00 0.00 C ATOM 1524 CE LYS B 208 9.127 4.432 -1.682 1.00 0.00 C ATOM 1525 NZ LYS B 208 8.149 5.378 -1.109 1.00 0.00 N ATOM 0 H LYS B 208 11.147 5.219 0.144 1.00 0.00 H new ATOM 0 HA LYS B 208 13.097 3.224 -0.021 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.109 1.422 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.127 1.695 0.279 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.415 2.483 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.736 1.149 -1.657 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.091 2.630 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.205 3.191 0.062 1.00 0.00 H new ATOM 0 HE2 LYS B 208 10.131 4.845 -1.581 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.936 4.317 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.451 6.353 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 7.215 5.212 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 8.091 5.237 -0.080 1.00 0.00 H new