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= 1.13 (180deg=-0.52) USER MOD Set 1.2: A 74 CYS SG : rot -19:sc= -0.105 USER MOD Single : A 7 CYS SG : rot -62:sc= 0.126 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0128 (180deg=-0.212) USER MOD Single : A 10 MET CE :methyl 158:sc= -0.302 (180deg=-1.08) USER MOD Single : A 11 SER OG : rot -76:sc= 1.18 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.838) USER MOD Single : A 17 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 19 SER OG : rot -41:sc= 0.623 USER MOD Single : A 23 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.076) USER MOD Single : A 24 LYS NZ :NH3+ -170:sc=-0.00572 (180deg=-0.125) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.14 K(o=-0.14,f=-3.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00486 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 86:sc= 0.511 USER MOD Single : A 48 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.35) USER MOD Single : A 58 THR OG1 : rot -28:sc= -0.322 USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= 0.149 (180deg=-0.315) USER MOD Single : A 62 SER OG : rot -93:sc= 0.0351 USER MOD Single : A 63 THR OG1 : rot 161:sc= 1.14 USER MOD Single : A 70 TYR OH : rot 171:sc= 1.16 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 73 SER OG : rot -87:sc= 1.3 USER MOD Single : B 205 LYS NZ :NH3+ -149:sc= 0.119 (180deg=-3.03!) USER MOD Single : B 207 THR OG1 : rot 180:sc= 0 USER MOD Single : B 208 LYS NZ :NH3+ -171:sc= -1.14! (180deg=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 93 N CYS A 7 -15.475 -2.549 -4.804 1.00 0.00 N ATOM 94 CA CYS A 7 -15.062 -3.021 -3.485 1.00 0.00 C ATOM 95 C CYS A 7 -15.520 -2.064 -2.392 1.00 0.00 C ATOM 96 O CYS A 7 -15.642 -0.857 -2.613 1.00 0.00 O ATOM 97 CB CYS A 7 -13.537 -3.164 -3.444 1.00 0.00 C ATOM 98 SG CYS A 7 -12.906 -4.038 -1.991 1.00 0.00 S ATOM 0 HA CYS A 7 -15.527 -3.990 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.210 -3.691 -4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.090 -2.170 -3.477 1.00 0.00 H new ATOM 0 HG CYS A 7 -13.210 -3.371 -0.917 1.00 0.00 H new ATOM 104 N LYS A 8 -15.782 -2.614 -1.215 1.00 0.00 N ATOM 105 CA LYS A 8 -16.142 -1.814 -0.055 1.00 0.00 C ATOM 106 C LYS A 8 -14.885 -1.434 0.717 1.00 0.00 C ATOM 107 O LYS A 8 -13.877 -2.140 0.648 1.00 0.00 O ATOM 108 CB LYS A 8 -17.105 -2.585 0.853 1.00 0.00 C ATOM 109 CG LYS A 8 -18.576 -2.363 0.533 1.00 0.00 C ATOM 110 CD LYS A 8 -18.936 -2.820 -0.871 1.00 0.00 C ATOM 111 CE LYS A 8 -20.415 -2.616 -1.157 1.00 0.00 C ATOM 112 NZ LYS A 8 -21.272 -3.456 -0.278 1.00 0.00 N ATOM 0 H LYS A 8 -15.751 -3.618 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.643 -0.908 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.885 -3.650 0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.922 -2.295 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -19.188 -2.902 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.813 -1.305 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.343 -2.266 -1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -18.683 -3.874 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.670 -1.566 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.619 -2.857 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.242 -3.473 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.895 -4.425 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.279 -3.058 0.683 1.00 0.00 H new ATOM 126 N PRO A 9 -14.914 -0.303 1.445 1.00 0.00 N ATOM 127 CA PRO A 9 -13.778 0.134 2.247 1.00 0.00 C ATOM 128 C PRO A 9 -13.534 -0.789 3.425 1.00 0.00 C ATOM 129 O PRO A 9 -14.440 -1.045 4.224 1.00 0.00 O ATOM 130 CB PRO A 9 -14.169 1.518 2.766 1.00 0.00 C ATOM 131 CG PRO A 9 -15.415 1.903 2.038 1.00 0.00 C ATOM 132 CD PRO A 9 -16.047 0.629 1.546 1.00 0.00 C ATOM 0 HA PRO A 9 -12.863 0.137 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.339 1.496 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.373 2.240 2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.096 2.442 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.185 2.567 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.806 0.264 2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.537 0.771 0.583 1.00 0.00 H new ATOM 140 N MET A 10 -12.318 -1.296 3.528 1.00 0.00 N ATOM 141 CA MET A 10 -11.935 -2.101 4.672 1.00 0.00 C ATOM 142 C MET A 10 -11.844 -1.218 5.913 1.00 0.00 C ATOM 143 O MET A 10 -11.611 -0.014 5.814 1.00 0.00 O ATOM 144 CB MET A 10 -10.619 -2.836 4.404 1.00 0.00 C ATOM 145 CG MET A 10 -9.454 -1.941 4.033 1.00 0.00 C ATOM 146 SD MET A 10 -7.960 -2.882 3.667 1.00 0.00 S ATOM 147 CE MET A 10 -8.541 -4.007 2.391 1.00 0.00 C ATOM 0 H MET A 10 -11.581 -1.164 2.835 1.00 0.00 H new ATOM 0 HA MET A 10 -12.697 -2.861 4.847 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.351 -3.407 5.293 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.778 -3.554 3.599 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.723 -1.338 3.166 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.254 -1.250 4.852 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.693 -4.362 1.805 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.042 -4.856 2.855 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.241 -3.486 1.738 1.00 0.00 H new ATOM 157 N SER A 11 -12.052 -1.827 7.069 1.00 0.00 N ATOM 158 CA SER A 11 -12.189 -1.099 8.326 1.00 0.00 C ATOM 159 C SER A 11 -10.861 -0.534 8.840 1.00 0.00 C ATOM 160 O SER A 11 -9.808 -0.755 8.239 1.00 0.00 O ATOM 161 CB SER A 11 -12.813 -2.016 9.380 1.00 0.00 C ATOM 162 OG SER A 11 -12.074 -3.221 9.512 1.00 0.00 O ATOM 0 H SER A 11 -12.131 -2.839 7.166 1.00 0.00 H new ATOM 0 HA SER A 11 -12.837 -0.244 8.135 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.848 -1.501 10.340 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.842 -2.245 9.103 1.00 0.00 H new ATOM 0 HG SER A 11 -12.267 -3.808 8.751 1.00 0.00 H new ATOM 168 N TYR A 12 -10.924 0.173 9.965 1.00 0.00 N ATOM 169 CA TYR A 12 -9.751 0.826 10.554 1.00 0.00 C ATOM 170 C TYR A 12 -8.662 -0.203 10.874 1.00 0.00 C ATOM 171 O TYR A 12 -7.478 0.030 10.608 1.00 0.00 O ATOM 172 CB TYR A 12 -10.181 1.585 11.820 1.00 0.00 C ATOM 173 CG TYR A 12 -9.152 2.545 12.379 1.00 0.00 C ATOM 174 CD1 TYR A 12 -8.040 2.085 13.067 1.00 0.00 C ATOM 175 CD2 TYR A 12 -9.317 3.917 12.247 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.120 2.961 13.605 1.00 0.00 C ATOM 177 CE2 TYR A 12 -8.399 4.801 12.777 1.00 0.00 C ATOM 178 CZ TYR A 12 -7.303 4.319 13.457 1.00 0.00 C ATOM 179 OH TYR A 12 -6.387 5.196 13.989 1.00 0.00 O ATOM 0 H TYR A 12 -11.785 0.311 10.495 1.00 0.00 H new ATOM 0 HA TYR A 12 -9.332 1.534 9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.091 2.142 11.598 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.433 0.858 12.592 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.891 1.022 13.184 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.179 4.299 11.720 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.260 2.584 14.140 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.540 5.865 12.659 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.664 6.116 13.795 1.00 0.00 H new ATOM 189 N GLU A 13 -9.073 -1.352 11.408 1.00 0.00 N ATOM 190 CA GLU A 13 -8.141 -2.424 11.761 1.00 0.00 C ATOM 191 C GLU A 13 -7.400 -2.882 10.505 1.00 0.00 C ATOM 192 O GLU A 13 -6.183 -3.064 10.508 1.00 0.00 O ATOM 193 CB GLU A 13 -8.915 -3.606 12.372 1.00 0.00 C ATOM 194 CG GLU A 13 -8.140 -4.444 13.393 1.00 0.00 C ATOM 195 CD GLU A 13 -6.811 -4.961 12.884 1.00 0.00 C ATOM 196 OE1 GLU A 13 -6.787 -6.028 12.238 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.779 -4.313 13.151 1.00 0.00 O ATOM 0 H GLU A 13 -10.050 -1.566 11.607 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.422 -2.056 12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.814 -3.220 12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.242 -4.260 11.564 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.966 -3.842 14.285 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.756 -5.291 13.695 1.00 0.00 H new ATOM 204 N GLU A 14 -8.153 -3.010 9.423 1.00 0.00 N ATOM 205 CA GLU A 14 -7.625 -3.529 8.168 1.00 0.00 C ATOM 206 C GLU A 14 -6.729 -2.499 7.488 1.00 0.00 C ATOM 207 O GLU A 14 -5.634 -2.827 7.034 1.00 0.00 O ATOM 208 CB GLU A 14 -8.773 -3.928 7.241 1.00 0.00 C ATOM 209 CG GLU A 14 -9.602 -5.098 7.752 1.00 0.00 C ATOM 210 CD GLU A 14 -10.882 -5.280 6.968 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.849 -4.528 7.218 1.00 0.00 O ATOM 212 OE2 GLU A 14 -10.930 -6.169 6.095 1.00 0.00 O ATOM 0 H GLU A 14 -9.141 -2.759 9.388 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.023 -4.411 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.427 -3.068 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.365 -4.184 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.011 -6.012 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.842 -4.939 8.803 1.00 0.00 H new ATOM 219 N LYS A 15 -7.201 -1.258 7.426 1.00 0.00 N ATOM 220 CA LYS A 15 -6.429 -0.162 6.857 1.00 0.00 C ATOM 221 C LYS A 15 -5.093 0.001 7.581 1.00 0.00 C ATOM 222 O LYS A 15 -4.054 0.204 6.951 1.00 0.00 O ATOM 223 CB LYS A 15 -7.236 1.135 6.926 1.00 0.00 C ATOM 224 CG LYS A 15 -8.366 1.195 5.915 1.00 0.00 C ATOM 225 CD LYS A 15 -9.360 2.301 6.233 1.00 0.00 C ATOM 226 CE LYS A 15 -9.879 2.945 4.960 1.00 0.00 C ATOM 227 NZ LYS A 15 -10.879 4.006 5.238 1.00 0.00 N ATOM 0 H LYS A 15 -8.123 -0.986 7.767 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.218 -0.394 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.649 1.244 7.929 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.567 1.980 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.953 1.355 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.885 0.237 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.193 1.893 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.883 3.055 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.044 3.371 4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.328 2.181 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.733 4.801 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.837 3.622 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.768 4.340 6.217 1.00 0.00 H new ATOM 241 N ARG A 16 -5.125 -0.101 8.904 1.00 0.00 N ATOM 242 CA ARG A 16 -3.906 -0.035 9.701 1.00 0.00 C ATOM 243 C ARG A 16 -2.993 -1.222 9.395 1.00 0.00 C ATOM 244 O ARG A 16 -1.785 -1.058 9.221 1.00 0.00 O ATOM 245 CB ARG A 16 -4.237 -0.009 11.195 1.00 0.00 C ATOM 246 CG ARG A 16 -3.009 0.084 12.085 1.00 0.00 C ATOM 247 CD ARG A 16 -3.295 -0.453 13.476 1.00 0.00 C ATOM 248 NE ARG A 16 -3.621 -1.880 13.456 1.00 0.00 N ATOM 249 CZ ARG A 16 -2.930 -2.820 14.102 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.853 -2.502 14.812 1.00 0.00 N ATOM 251 NH2 ARG A 16 -3.330 -4.082 14.045 1.00 0.00 N ATOM 0 H ARG A 16 -5.979 -0.229 9.447 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.385 0.886 9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.890 0.839 11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.795 -0.910 11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.189 -0.478 11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.684 1.122 12.153 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.427 -0.288 14.114 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.124 0.102 13.916 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.431 -2.175 12.911 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.547 -1.531 14.867 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.332 -3.229 15.302 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.162 -4.330 13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.806 -4.806 14.537 1.00 0.00 H new ATOM 265 N GLN A 17 -3.577 -2.416 9.322 1.00 0.00 N ATOM 266 CA GLN A 17 -2.813 -3.624 9.045 1.00 0.00 C ATOM 267 C GLN A 17 -2.220 -3.583 7.643 1.00 0.00 C ATOM 268 O GLN A 17 -1.197 -4.198 7.378 1.00 0.00 O ATOM 269 CB GLN A 17 -3.690 -4.866 9.214 1.00 0.00 C ATOM 270 CG GLN A 17 -2.908 -6.167 9.154 1.00 0.00 C ATOM 271 CD GLN A 17 -1.894 -6.291 10.277 1.00 0.00 C ATOM 272 OE1 GLN A 17 -2.092 -5.762 11.371 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.806 -6.996 10.018 1.00 0.00 N ATOM 0 H GLN A 17 -4.577 -2.570 9.451 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.994 -3.676 9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.211 -4.807 10.170 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.453 -4.872 8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.602 -7.006 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.393 -6.233 8.196 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.679 -7.419 9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.094 -7.117 10.738 1.00 0.00 H new ATOM 282 N LEU A 18 -2.868 -2.844 6.761 1.00 0.00 N ATOM 283 CA LEU A 18 -2.397 -2.679 5.390 1.00 0.00 C ATOM 284 C LEU A 18 -1.136 -1.820 5.379 1.00 0.00 C ATOM 285 O LEU A 18 -0.195 -2.068 4.639 1.00 0.00 O ATOM 286 CB LEU A 18 -3.500 -2.035 4.545 1.00 0.00 C ATOM 287 CG LEU A 18 -3.670 -2.569 3.118 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.969 -2.067 2.521 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.513 -2.160 2.229 1.00 0.00 C ATOM 0 H LEU A 18 -3.731 -2.342 6.969 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.155 -3.653 4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.447 -2.158 5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.304 -0.964 4.487 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.690 -3.657 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.077 -2.454 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.806 -2.408 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.960 -0.977 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.668 -2.556 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.455 -1.072 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.583 -2.557 2.636 1.00 0.00 H new ATOM 301 N SER A 19 -1.111 -0.808 6.221 1.00 0.00 N ATOM 302 CA SER A 19 0.104 -0.033 6.404 1.00 0.00 C ATOM 303 C SER A 19 1.213 -0.930 6.961 1.00 0.00 C ATOM 304 O SER A 19 2.398 -0.731 6.684 1.00 0.00 O ATOM 305 CB SER A 19 -0.154 1.140 7.348 1.00 0.00 C ATOM 306 OG SER A 19 -1.258 1.916 6.910 1.00 0.00 O ATOM 0 H SER A 19 -1.905 -0.504 6.784 1.00 0.00 H new ATOM 0 HA SER A 19 0.421 0.363 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.345 0.766 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.736 1.767 7.405 1.00 0.00 H new ATOM 0 HG SER A 19 -1.219 2.020 5.936 1.00 0.00 H new ATOM 312 N LEU A 20 0.809 -1.931 7.732 1.00 0.00 N ATOM 313 CA LEU A 20 1.744 -2.865 8.336 1.00 0.00 C ATOM 314 C LEU A 20 2.191 -3.937 7.340 1.00 0.00 C ATOM 315 O LEU A 20 3.339 -4.380 7.374 1.00 0.00 O ATOM 316 CB LEU A 20 1.115 -3.514 9.569 1.00 0.00 C ATOM 317 CG LEU A 20 0.902 -2.577 10.754 1.00 0.00 C ATOM 318 CD1 LEU A 20 0.106 -3.289 11.827 1.00 0.00 C ATOM 319 CD2 LEU A 20 2.236 -2.119 11.314 1.00 0.00 C ATOM 0 H LEU A 20 -0.169 -2.116 7.954 1.00 0.00 H new ATOM 0 HA LEU A 20 2.629 -2.305 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.153 -3.941 9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.749 -4.341 9.889 1.00 0.00 H new ATOM 0 HG LEU A 20 0.350 -1.700 10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.045 -2.619 12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.861 -3.589 11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.651 -4.173 12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.066 -1.451 12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.808 -2.985 11.646 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.793 -1.591 10.540 1.00 0.00 H new ATOM 331 N ASP A 21 1.290 -4.344 6.450 1.00 0.00 N ATOM 332 CA ASP A 21 1.594 -5.398 5.487 1.00 0.00 C ATOM 333 C ASP A 21 2.489 -4.874 4.357 1.00 0.00 C ATOM 334 O ASP A 21 3.361 -5.593 3.857 1.00 0.00 O ATOM 335 CB ASP A 21 0.304 -6.075 4.964 1.00 0.00 C ATOM 336 CG ASP A 21 -0.666 -5.183 4.224 1.00 0.00 C ATOM 337 OD1 ASP A 21 -0.233 -4.337 3.435 1.00 0.00 O ATOM 338 OD2 ASP A 21 -1.890 -5.373 4.417 1.00 0.00 O ATOM 0 H ASP A 21 0.347 -3.962 6.376 1.00 0.00 H new ATOM 0 HA ASP A 21 2.161 -6.174 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.590 -6.892 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.218 -6.519 5.812 1.00 0.00 H new ATOM 343 N ILE A 22 2.310 -3.611 3.991 1.00 0.00 N ATOM 344 CA ILE A 22 3.189 -2.967 3.018 1.00 0.00 C ATOM 345 C ILE A 22 4.573 -2.745 3.617 1.00 0.00 C ATOM 346 O ILE A 22 5.591 -2.867 2.937 1.00 0.00 O ATOM 347 CB ILE A 22 2.606 -1.624 2.533 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.299 -1.863 1.779 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.590 -0.890 1.638 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.466 -0.623 1.628 1.00 0.00 C ATOM 0 H ILE A 22 1.567 -3.012 4.351 1.00 0.00 H new ATOM 0 HA ILE A 22 3.272 -3.632 2.158 1.00 0.00 H new ATOM 0 HB ILE A 22 2.412 -1.004 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.526 -2.263 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.718 -2.621 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.151 0.053 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.507 -0.691 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.818 -1.505 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.448 -0.862 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.210 -0.234 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.030 0.129 1.077 1.00 0.00 H new ATOM 362 N ASN A 23 4.594 -2.442 4.907 1.00 0.00 N ATOM 363 CA ASN A 23 5.838 -2.243 5.642 1.00 0.00 C ATOM 364 C ASN A 23 6.669 -3.530 5.682 1.00 0.00 C ATOM 365 O ASN A 23 7.874 -3.500 5.934 1.00 0.00 O ATOM 366 CB ASN A 23 5.505 -1.759 7.055 1.00 0.00 C ATOM 367 CG ASN A 23 6.711 -1.694 7.976 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.031 -2.656 8.673 1.00 0.00 O ATOM 369 ND2 ASN A 23 7.380 -0.555 7.994 1.00 0.00 N ATOM 0 H ASN A 23 3.753 -2.327 5.473 1.00 0.00 H new ATOM 0 HA ASN A 23 6.441 -1.490 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.052 -0.770 6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.760 -2.424 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.193 -0.451 8.601 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.083 0.220 7.401 1.00 0.00 H new ATOM 376 N LYS A 24 6.020 -4.658 5.417 1.00 0.00 N ATOM 377 CA LYS A 24 6.694 -5.951 5.405 1.00 0.00 C ATOM 378 C LYS A 24 7.425 -6.186 4.086 1.00 0.00 C ATOM 379 O LYS A 24 8.448 -6.874 4.050 1.00 0.00 O ATOM 380 CB LYS A 24 5.681 -7.070 5.626 1.00 0.00 C ATOM 381 CG LYS A 24 5.108 -7.115 7.030 1.00 0.00 C ATOM 382 CD LYS A 24 4.027 -8.177 7.149 1.00 0.00 C ATOM 383 CE LYS A 24 3.402 -8.188 8.534 1.00 0.00 C ATOM 384 NZ LYS A 24 4.394 -8.530 9.587 1.00 0.00 N ATOM 0 H LYS A 24 5.023 -4.703 5.207 1.00 0.00 H new ATOM 0 HA LYS A 24 7.428 -5.950 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.864 -6.952 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.158 -8.026 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.905 -7.322 7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.694 -6.140 7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.254 -7.995 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.454 -9.157 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.971 -7.210 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.584 -8.908 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.901 -8.693 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.909 -9.391 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.067 -7.745 9.698 1.00 0.00 H new ATOM 398 N LEU A 25 6.888 -5.621 3.014 1.00 0.00 N ATOM 399 CA LEU A 25 7.430 -5.813 1.669 1.00 0.00 C ATOM 400 C LEU A 25 8.879 -5.343 1.543 1.00 0.00 C ATOM 401 O LEU A 25 9.225 -4.250 1.994 1.00 0.00 O ATOM 402 CB LEU A 25 6.585 -5.043 0.662 1.00 0.00 C ATOM 403 CG LEU A 25 5.130 -5.466 0.565 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.505 -4.848 -0.662 1.00 0.00 C ATOM 405 CD2 LEU A 25 5.013 -6.970 0.529 1.00 0.00 C ATOM 0 H LEU A 25 6.066 -5.017 3.048 1.00 0.00 H new ATOM 0 HA LEU A 25 7.404 -6.884 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.620 -3.984 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.041 -5.147 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 25 4.597 -5.113 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.461 -5.152 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.563 -3.762 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.040 -5.183 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.962 -7.252 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.550 -7.356 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.442 -7.390 1.439 1.00 0.00 H new ATOM 417 N PRO A 26 9.748 -6.176 0.930 1.00 0.00 N ATOM 418 CA PRO A 26 11.104 -5.761 0.548 1.00 0.00 C ATOM 419 C PRO A 26 11.062 -4.582 -0.423 1.00 0.00 C ATOM 420 O PRO A 26 10.106 -4.450 -1.184 1.00 0.00 O ATOM 421 CB PRO A 26 11.686 -7.007 -0.132 1.00 0.00 C ATOM 422 CG PRO A 26 10.882 -8.139 0.407 1.00 0.00 C ATOM 423 CD PRO A 26 9.496 -7.595 0.598 1.00 0.00 C ATOM 0 HA PRO A 26 11.698 -5.425 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.602 -6.942 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.744 -7.127 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.880 -8.982 -0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.295 -8.499 1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.892 -7.699 -0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.965 -8.110 1.399 1.00 0.00 H new ATOM 431 N GLY A 27 12.104 -3.748 -0.396 1.00 0.00 N ATOM 432 CA GLY A 27 12.109 -2.485 -1.133 1.00 0.00 C ATOM 433 C GLY A 27 11.620 -2.575 -2.571 1.00 0.00 C ATOM 434 O GLY A 27 10.832 -1.734 -3.006 1.00 0.00 O ATOM 0 H GLY A 27 12.958 -3.927 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.487 -1.768 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.124 -2.087 -1.135 1.00 0.00 H new ATOM 438 N GLU A 28 12.071 -3.584 -3.312 1.00 0.00 N ATOM 439 CA GLU A 28 11.668 -3.740 -4.709 1.00 0.00 C ATOM 440 C GLU A 28 10.155 -3.928 -4.819 1.00 0.00 C ATOM 441 O GLU A 28 9.488 -3.265 -5.613 1.00 0.00 O ATOM 442 CB GLU A 28 12.394 -4.929 -5.345 1.00 0.00 C ATOM 443 CG GLU A 28 12.129 -5.086 -6.835 1.00 0.00 C ATOM 444 CD GLU A 28 12.556 -3.871 -7.635 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.772 -3.599 -7.710 1.00 0.00 O ATOM 446 OE2 GLU A 28 11.678 -3.188 -8.206 1.00 0.00 O ATOM 0 H GLU A 28 12.711 -4.302 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 28 11.943 -2.832 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.466 -4.815 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.092 -5.843 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.659 -5.964 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.066 -5.266 -6.994 1.00 0.00 H new ATOM 453 N LYS A 29 9.622 -4.828 -4.008 1.00 0.00 N ATOM 454 CA LYS A 29 8.189 -5.080 -3.961 1.00 0.00 C ATOM 455 C LYS A 29 7.441 -3.870 -3.411 1.00 0.00 C ATOM 456 O LYS A 29 6.339 -3.547 -3.848 1.00 0.00 O ATOM 457 CB LYS A 29 7.918 -6.296 -3.079 1.00 0.00 C ATOM 458 CG LYS A 29 8.289 -7.626 -3.717 1.00 0.00 C ATOM 459 CD LYS A 29 7.391 -7.937 -4.903 1.00 0.00 C ATOM 460 CE LYS A 29 7.483 -9.397 -5.322 1.00 0.00 C ATOM 461 NZ LYS A 29 7.015 -10.314 -4.254 1.00 0.00 N ATOM 0 H LYS A 29 10.167 -5.403 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 29 7.835 -5.270 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.473 -6.186 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.860 -6.313 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.329 -7.599 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.207 -8.422 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.359 -7.698 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.668 -7.301 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.887 -9.554 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.515 -9.636 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.778 -10.975 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.748 -9.761 -3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.190 -10.849 -4.593 1.00 0.00 H new ATOM 475 N LEU A 30 8.063 -3.221 -2.447 1.00 0.00 N ATOM 476 CA LEU A 30 7.509 -2.044 -1.792 1.00 0.00 C ATOM 477 C LEU A 30 7.271 -0.909 -2.782 1.00 0.00 C ATOM 478 O LEU A 30 6.209 -0.288 -2.758 1.00 0.00 O ATOM 479 CB LEU A 30 8.465 -1.611 -0.676 1.00 0.00 C ATOM 480 CG LEU A 30 8.089 -0.334 0.065 1.00 0.00 C ATOM 481 CD1 LEU A 30 6.598 -0.298 0.360 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.896 -0.244 1.352 1.00 0.00 C ATOM 0 H LEU A 30 8.978 -3.496 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 30 6.537 -2.295 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.536 -2.421 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.458 -1.480 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 30 8.321 0.525 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.354 0.623 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.041 -0.337 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.329 -1.154 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.630 0.669 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.677 -1.108 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.960 -0.228 1.114 1.00 0.00 H new ATOM 494 N GLY A 31 8.242 -0.666 -3.663 1.00 0.00 N ATOM 495 CA GLY A 31 8.139 0.427 -4.622 1.00 0.00 C ATOM 496 C GLY A 31 6.850 0.395 -5.424 1.00 0.00 C ATOM 497 O GLY A 31 6.346 1.437 -5.839 1.00 0.00 O ATOM 0 H GLY A 31 9.103 -1.209 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.206 1.376 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.987 0.384 -5.306 1.00 0.00 H new ATOM 501 N ARG A 32 6.306 -0.799 -5.625 1.00 0.00 N ATOM 502 CA ARG A 32 5.047 -0.955 -6.337 1.00 0.00 C ATOM 503 C ARG A 32 3.913 -0.258 -5.594 1.00 0.00 C ATOM 504 O ARG A 32 3.173 0.514 -6.184 1.00 0.00 O ATOM 505 CB ARG A 32 4.710 -2.437 -6.517 1.00 0.00 C ATOM 506 CG ARG A 32 3.376 -2.690 -7.216 1.00 0.00 C ATOM 507 CD ARG A 32 3.377 -2.153 -8.642 1.00 0.00 C ATOM 508 NE ARG A 32 4.348 -2.839 -9.492 1.00 0.00 N ATOM 509 CZ ARG A 32 4.699 -2.414 -10.707 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.169 -1.301 -11.204 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.578 -3.101 -11.424 1.00 0.00 N ATOM 0 H ARG A 32 6.719 -1.674 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 32 5.160 -0.494 -7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.505 -2.913 -7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.692 -2.917 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.170 -3.760 -7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.573 -2.218 -6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.381 -2.263 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.601 -1.086 -8.626 1.00 0.00 H new ATOM 0 HE ARG A 32 4.782 -3.691 -9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.492 -0.770 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.439 -0.978 -12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.987 -3.956 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.845 -2.775 -12.353 1.00 0.00 H new ATOM 525 N VAL A 33 3.801 -0.511 -4.293 1.00 0.00 N ATOM 526 CA VAL A 33 2.672 -0.007 -3.507 1.00 0.00 C ATOM 527 C VAL A 33 2.719 1.501 -3.389 1.00 0.00 C ATOM 528 O VAL A 33 1.715 2.169 -3.626 1.00 0.00 O ATOM 529 CB VAL A 33 2.612 -0.617 -2.096 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.169 -0.869 -1.716 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.416 -1.902 -2.010 1.00 0.00 C ATOM 0 H VAL A 33 4.475 -1.060 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 33 1.774 -0.308 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 33 3.054 0.091 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.126 -1.301 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.620 0.072 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.720 -1.560 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.351 -2.305 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.016 -2.629 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.459 -1.696 -2.252 1.00 0.00 H new ATOM 541 N VAL A 34 3.885 2.031 -3.037 1.00 0.00 N ATOM 542 CA VAL A 34 4.084 3.485 -2.989 1.00 0.00 C ATOM 543 C VAL A 34 3.608 4.104 -4.303 1.00 0.00 C ATOM 544 O VAL A 34 2.937 5.136 -4.321 1.00 0.00 O ATOM 545 CB VAL A 34 5.581 3.849 -2.729 1.00 0.00 C ATOM 546 CG1 VAL A 34 6.440 2.612 -2.774 1.00 0.00 C ATOM 547 CG2 VAL A 34 6.120 4.883 -3.719 1.00 0.00 C ATOM 0 H VAL A 34 4.707 1.483 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 34 3.501 3.887 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 34 5.623 4.294 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.480 2.884 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.108 1.911 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.355 2.145 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.164 5.097 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.044 4.490 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.536 5.800 -3.641 1.00 0.00 H new ATOM 557 N HIS A 35 3.937 3.421 -5.392 1.00 0.00 N ATOM 558 CA HIS A 35 3.548 3.842 -6.731 1.00 0.00 C ATOM 559 C HIS A 35 2.042 3.672 -6.948 1.00 0.00 C ATOM 560 O HIS A 35 1.398 4.544 -7.530 1.00 0.00 O ATOM 561 CB HIS A 35 4.335 3.037 -7.767 1.00 0.00 C ATOM 562 CG HIS A 35 4.169 3.507 -9.180 1.00 0.00 C ATOM 563 ND1 HIS A 35 4.904 4.540 -9.718 1.00 0.00 N ATOM 564 CD2 HIS A 35 3.368 3.062 -10.177 1.00 0.00 C ATOM 565 CE1 HIS A 35 4.566 4.710 -10.980 1.00 0.00 C ATOM 566 NE2 HIS A 35 3.636 3.826 -11.286 1.00 0.00 N ATOM 0 H HIS A 35 4.482 2.559 -5.371 1.00 0.00 H new ATOM 0 HA HIS A 35 3.779 4.901 -6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.393 3.073 -7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.027 1.993 -7.707 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.652 2.256 -10.112 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.980 5.448 -11.651 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.189 3.726 -12.197 1.00 0.00 H new ATOM 575 N ILE A 36 1.487 2.549 -6.482 1.00 0.00 N ATOM 576 CA ILE A 36 0.055 2.283 -6.622 1.00 0.00 C ATOM 577 C ILE A 36 -0.765 3.395 -5.983 1.00 0.00 C ATOM 578 O ILE A 36 -1.600 4.004 -6.645 1.00 0.00 O ATOM 579 CB ILE A 36 -0.389 0.932 -6.000 1.00 0.00 C ATOM 580 CG1 ILE A 36 0.382 -0.241 -6.609 1.00 0.00 C ATOM 581 CG2 ILE A 36 -1.887 0.732 -6.207 1.00 0.00 C ATOM 582 CD1 ILE A 36 -0.126 -1.603 -6.179 1.00 0.00 C ATOM 0 H ILE A 36 2.007 1.812 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.125 2.234 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.170 0.963 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.330 -0.172 -7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.433 -0.153 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.191 -0.218 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.432 1.545 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.109 0.726 -7.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.472 -2.381 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.048 -1.695 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.168 -1.714 -6.478 1.00 0.00 H new ATOM 594 N ILE A 37 -0.515 3.669 -4.703 1.00 0.00 N ATOM 595 CA ILE A 37 -1.292 4.677 -3.989 1.00 0.00 C ATOM 596 C ILE A 37 -1.201 6.026 -4.692 1.00 0.00 C ATOM 597 O ILE A 37 -2.217 6.651 -4.978 1.00 0.00 O ATOM 598 CB ILE A 37 -0.855 4.859 -2.520 1.00 0.00 C ATOM 599 CG1 ILE A 37 -1.033 3.571 -1.717 1.00 0.00 C ATOM 600 CG2 ILE A 37 -1.679 5.964 -1.892 1.00 0.00 C ATOM 601 CD1 ILE A 37 0.260 2.985 -1.209 1.00 0.00 C ATOM 0 H ILE A 37 0.209 3.214 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.319 4.311 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 37 0.204 5.118 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.688 3.771 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.535 2.832 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.376 6.099 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.520 6.893 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.735 5.697 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.051 2.073 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.910 2.752 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.755 3.705 -0.558 1.00 0.00 H new ATOM 613 N GLN A 38 0.024 6.454 -4.975 1.00 0.00 N ATOM 614 CA GLN A 38 0.260 7.728 -5.651 1.00 0.00 C ATOM 615 C GLN A 38 -0.475 7.803 -6.988 1.00 0.00 C ATOM 616 O GLN A 38 -1.042 8.838 -7.334 1.00 0.00 O ATOM 617 CB GLN A 38 1.761 7.952 -5.877 1.00 0.00 C ATOM 618 CG GLN A 38 2.539 8.300 -4.614 1.00 0.00 C ATOM 619 CD GLN A 38 3.474 9.477 -4.822 1.00 0.00 C ATOM 620 OE1 GLN A 38 3.216 10.353 -5.649 1.00 0.00 O ATOM 621 NE2 GLN A 38 4.564 9.516 -4.072 1.00 0.00 N ATOM 0 H GLN A 38 0.873 5.937 -4.747 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.129 8.512 -5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.189 7.051 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.892 8.754 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.839 8.532 -3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.116 7.432 -4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.746 8.773 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.222 10.289 -4.169 1.00 0.00 H new ATOM 630 N SER A 39 -0.472 6.705 -7.730 1.00 0.00 N ATOM 631 CA SER A 39 -1.079 6.683 -9.050 1.00 0.00 C ATOM 632 C SER A 39 -2.605 6.660 -8.964 1.00 0.00 C ATOM 633 O SER A 39 -3.288 7.244 -9.805 1.00 0.00 O ATOM 634 CB SER A 39 -0.578 5.473 -9.846 1.00 0.00 C ATOM 635 OG SER A 39 -0.976 5.549 -11.208 1.00 0.00 O ATOM 0 H SER A 39 -0.056 5.820 -7.440 1.00 0.00 H new ATOM 0 HA SER A 39 -0.785 7.597 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.509 5.420 -9.785 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.967 4.557 -9.402 1.00 0.00 H new ATOM 0 HG SER A 39 -0.641 4.765 -11.691 1.00 0.00 H new ATOM 641 N ARG A 40 -3.139 5.995 -7.950 1.00 0.00 N ATOM 642 CA ARG A 40 -4.584 5.856 -7.823 1.00 0.00 C ATOM 643 C ARG A 40 -5.181 7.052 -7.091 1.00 0.00 C ATOM 644 O ARG A 40 -6.283 7.499 -7.409 1.00 0.00 O ATOM 645 CB ARG A 40 -4.941 4.563 -7.090 1.00 0.00 C ATOM 646 CG ARG A 40 -4.298 3.318 -7.690 1.00 0.00 C ATOM 647 CD ARG A 40 -5.016 2.055 -7.272 1.00 0.00 C ATOM 648 NE ARG A 40 -6.424 2.062 -7.659 1.00 0.00 N ATOM 649 CZ ARG A 40 -7.068 1.022 -8.187 1.00 0.00 C ATOM 650 NH1 ARG A 40 -6.428 -0.116 -8.428 1.00 0.00 N ATOM 651 NH2 ARG A 40 -8.356 1.130 -8.480 1.00 0.00 N ATOM 0 H ARG A 40 -2.600 5.547 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.006 5.817 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.636 4.651 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.024 4.440 -7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.303 3.395 -8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.255 3.262 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.522 1.194 -7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.940 1.937 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.951 2.923 -7.515 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.435 -0.199 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.929 -0.907 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.848 2.005 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.855 0.338 -8.884 1.00 0.00 H new ATOM 665 N GLU A 41 -4.449 7.566 -6.113 1.00 0.00 N ATOM 666 CA GLU A 41 -4.903 8.709 -5.333 1.00 0.00 C ATOM 667 C GLU A 41 -4.152 9.980 -5.729 1.00 0.00 C ATOM 668 O GLU A 41 -3.057 10.241 -5.229 1.00 0.00 O ATOM 669 CB GLU A 41 -4.708 8.443 -3.843 1.00 0.00 C ATOM 670 CG GLU A 41 -5.454 7.226 -3.335 1.00 0.00 C ATOM 671 CD GLU A 41 -6.906 7.204 -3.772 1.00 0.00 C ATOM 672 OE1 GLU A 41 -7.673 8.089 -3.348 1.00 0.00 O ATOM 673 OE2 GLU A 41 -7.292 6.296 -4.531 1.00 0.00 O ATOM 0 H GLU A 41 -3.534 7.208 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.963 8.854 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.644 8.315 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.035 9.318 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.957 6.325 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.406 7.204 -2.246 1.00 0.00 H new ATOM 680 N PRO A 42 -4.739 10.797 -6.623 1.00 0.00 N ATOM 681 CA PRO A 42 -4.123 12.051 -7.082 1.00 0.00 C ATOM 682 C PRO A 42 -3.854 13.031 -5.938 1.00 0.00 C ATOM 683 O PRO A 42 -2.995 13.908 -6.046 1.00 0.00 O ATOM 684 CB PRO A 42 -5.162 12.643 -8.041 1.00 0.00 C ATOM 685 CG PRO A 42 -6.016 11.493 -8.446 1.00 0.00 C ATOM 686 CD PRO A 42 -6.041 10.562 -7.270 1.00 0.00 C ATOM 0 HA PRO A 42 -3.151 11.867 -7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.752 13.419 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.683 13.102 -8.906 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.022 11.825 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.610 10.997 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -6.870 10.785 -6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.154 9.524 -7.582 1.00 0.00 H new ATOM 694 N SER A 43 -4.590 12.867 -4.842 1.00 0.00 N ATOM 695 CA SER A 43 -4.502 13.763 -3.695 1.00 0.00 C ATOM 696 C SER A 43 -3.088 13.804 -3.114 1.00 0.00 C ATOM 697 O SER A 43 -2.605 14.861 -2.703 1.00 0.00 O ATOM 698 CB SER A 43 -5.484 13.306 -2.616 1.00 0.00 C ATOM 699 OG SER A 43 -6.760 13.023 -3.171 1.00 0.00 O ATOM 0 H SER A 43 -5.263 12.110 -4.725 1.00 0.00 H new ATOM 0 HA SER A 43 -4.754 14.768 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.095 12.417 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.579 14.081 -1.855 1.00 0.00 H new ATOM 0 HG SER A 43 -7.368 12.731 -2.460 1.00 0.00 H new ATOM 705 N LEU A 44 -2.422 12.660 -3.106 1.00 0.00 N ATOM 706 CA LEU A 44 -1.119 12.538 -2.465 1.00 0.00 C ATOM 707 C LEU A 44 -0.013 12.348 -3.491 1.00 0.00 C ATOM 708 O LEU A 44 1.107 11.968 -3.145 1.00 0.00 O ATOM 709 CB LEU A 44 -1.137 11.379 -1.460 1.00 0.00 C ATOM 710 CG LEU A 44 -1.545 10.019 -2.021 1.00 0.00 C ATOM 711 CD1 LEU A 44 -0.320 9.219 -2.430 1.00 0.00 C ATOM 712 CD2 LEU A 44 -2.374 9.259 -0.997 1.00 0.00 C ATOM 0 H LEU A 44 -2.762 11.800 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.911 13.465 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.143 11.287 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.819 11.636 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.155 10.175 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.632 8.253 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.232 9.765 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.320 9.064 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.660 8.290 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.786 9.110 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.271 9.831 -0.758 1.00 0.00 H new ATOM 724 N LYS A 45 -0.320 12.652 -4.747 1.00 0.00 N ATOM 725 CA LYS A 45 0.647 12.467 -5.842 1.00 0.00 C ATOM 726 C LYS A 45 1.763 13.513 -5.769 1.00 0.00 C ATOM 727 O LYS A 45 2.665 13.533 -6.609 1.00 0.00 O ATOM 728 CB LYS A 45 -0.043 12.522 -7.232 1.00 0.00 C ATOM 729 CG LYS A 45 0.534 11.567 -8.273 1.00 0.00 C ATOM 730 CD LYS A 45 -0.419 11.396 -9.441 1.00 0.00 C ATOM 731 CE LYS A 45 -0.528 12.683 -10.235 1.00 0.00 C ATOM 732 NZ LYS A 45 -1.469 12.566 -11.378 1.00 0.00 N ATOM 0 H LYS A 45 -1.223 13.026 -5.039 1.00 0.00 H new ATOM 0 HA LYS A 45 1.084 11.476 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.103 12.301 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.026 13.540 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.490 11.949 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.730 10.598 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.069 10.592 -10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.403 11.104 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.859 13.486 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.458 12.962 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.509 13.471 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.141 11.818 -12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.417 12.327 -11.024 1.00 0.00 H new ATOM 746 N ASN A 46 1.708 14.384 -4.764 1.00 0.00 N ATOM 747 CA ASN A 46 2.710 15.424 -4.611 1.00 0.00 C ATOM 748 C ASN A 46 3.727 15.033 -3.552 1.00 0.00 C ATOM 749 O ASN A 46 4.725 15.728 -3.349 1.00 0.00 O ATOM 750 CB ASN A 46 2.060 16.759 -4.247 1.00 0.00 C ATOM 751 CG ASN A 46 1.201 17.312 -5.363 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.009 17.081 -5.407 1.00 0.00 O ATOM 753 ND2 ASN A 46 1.817 18.043 -6.279 1.00 0.00 N ATOM 0 H ASN A 46 0.981 14.387 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 46 3.223 15.539 -5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.449 16.630 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.837 17.482 -4.000 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.288 18.438 -7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.820 18.211 -6.207 1.00 0.00 H new ATOM 760 N SER A 47 3.470 13.916 -2.883 1.00 0.00 N ATOM 761 CA SER A 47 4.382 13.398 -1.876 1.00 0.00 C ATOM 762 C SER A 47 5.676 12.939 -2.540 1.00 0.00 C ATOM 763 O SER A 47 5.634 12.247 -3.560 1.00 0.00 O ATOM 764 CB SER A 47 3.723 12.231 -1.130 1.00 0.00 C ATOM 765 OG SER A 47 2.452 12.605 -0.626 1.00 0.00 O ATOM 0 H SER A 47 2.633 13.350 -3.022 1.00 0.00 H new ATOM 0 HA SER A 47 4.615 14.186 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.616 11.379 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.364 11.911 -0.309 1.00 0.00 H new ATOM 0 HG SER A 47 1.774 12.480 -1.323 1.00 0.00 H new ATOM 771 N ASN A 48 6.821 13.339 -1.980 1.00 0.00 N ATOM 772 CA ASN A 48 8.114 12.942 -2.532 1.00 0.00 C ATOM 773 C ASN A 48 8.187 11.425 -2.556 1.00 0.00 C ATOM 774 O ASN A 48 7.968 10.781 -1.534 1.00 0.00 O ATOM 775 CB ASN A 48 9.281 13.488 -1.694 1.00 0.00 C ATOM 776 CG ASN A 48 9.233 14.989 -1.485 1.00 0.00 C ATOM 777 OD1 ASN A 48 8.710 15.734 -2.313 1.00 0.00 O ATOM 778 ND2 ASN A 48 9.794 15.441 -0.376 1.00 0.00 N ATOM 0 H ASN A 48 6.877 13.932 -1.152 1.00 0.00 H new ATOM 0 HA ASN A 48 8.200 13.354 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.280 12.995 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.220 13.228 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.804 16.442 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.217 14.788 0.284 1.00 0.00 H new ATOM 785 N PRO A 49 8.480 10.831 -3.724 1.00 0.00 N ATOM 786 CA PRO A 49 8.433 9.379 -3.899 1.00 0.00 C ATOM 787 C PRO A 49 9.357 8.625 -2.952 1.00 0.00 C ATOM 788 O PRO A 49 9.171 7.434 -2.746 1.00 0.00 O ATOM 789 CB PRO A 49 8.853 9.148 -5.350 1.00 0.00 C ATOM 790 CG PRO A 49 9.457 10.433 -5.813 1.00 0.00 C ATOM 791 CD PRO A 49 8.862 11.526 -4.965 1.00 0.00 C ATOM 0 HA PRO A 49 7.436 9.001 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.571 8.331 -5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.996 8.876 -5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.542 10.410 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.242 10.603 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.582 12.322 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.000 11.985 -5.449 1.00 0.00 H new ATOM 799 N ASP A 50 10.337 9.311 -2.371 1.00 0.00 N ATOM 800 CA ASP A 50 11.236 8.687 -1.403 1.00 0.00 C ATOM 801 C ASP A 50 10.595 8.653 -0.009 1.00 0.00 C ATOM 802 O ASP A 50 10.777 7.694 0.743 1.00 0.00 O ATOM 803 CB ASP A 50 12.585 9.418 -1.340 1.00 0.00 C ATOM 804 CG ASP A 50 13.401 9.318 -2.614 1.00 0.00 C ATOM 805 OD1 ASP A 50 12.869 9.639 -3.696 1.00 0.00 O ATOM 806 OD2 ASP A 50 14.597 8.958 -2.527 1.00 0.00 O ATOM 0 H ASP A 50 10.529 10.296 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 50 11.415 7.665 -1.736 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.406 10.470 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.169 9.011 -0.514 1.00 0.00 H new ATOM 811 N GLU A 51 9.803 9.675 0.302 1.00 0.00 N ATOM 812 CA GLU A 51 9.143 9.806 1.603 1.00 0.00 C ATOM 813 C GLU A 51 7.653 10.002 1.390 1.00 0.00 C ATOM 814 O GLU A 51 7.133 11.097 1.604 1.00 0.00 O ATOM 815 CB GLU A 51 9.672 11.023 2.375 1.00 0.00 C ATOM 816 CG GLU A 51 10.854 10.740 3.276 1.00 0.00 C ATOM 817 CD GLU A 51 11.171 11.914 4.172 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.888 12.832 3.720 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.693 11.933 5.326 1.00 0.00 O ATOM 0 H GLU A 51 9.598 10.440 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 51 9.346 8.901 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.956 11.794 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.862 11.432 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.643 9.863 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.726 10.502 2.667 1.00 0.00 H new ATOM 826 N ILE A 52 6.959 8.968 0.955 1.00 0.00 N ATOM 827 CA ILE A 52 5.592 9.153 0.527 1.00 0.00 C ATOM 828 C ILE A 52 4.638 9.226 1.706 1.00 0.00 C ATOM 829 O ILE A 52 4.851 8.598 2.743 1.00 0.00 O ATOM 830 CB ILE A 52 5.142 8.070 -0.462 1.00 0.00 C ATOM 831 CG1 ILE A 52 4.729 6.806 0.238 1.00 0.00 C ATOM 832 CG2 ILE A 52 6.264 7.747 -1.430 1.00 0.00 C ATOM 833 CD1 ILE A 52 3.866 5.953 -0.649 1.00 0.00 C ATOM 0 H ILE A 52 7.311 8.013 0.890 1.00 0.00 H new ATOM 0 HA ILE A 52 5.562 10.110 0.006 1.00 0.00 H new ATOM 0 HB ILE A 52 4.280 8.466 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.615 6.246 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.186 7.053 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.933 6.977 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.536 8.645 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.130 7.386 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.582 5.045 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.969 6.507 -0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.420 5.687 -1.549 1.00 0.00 H new ATOM 845 N GLU A 53 3.594 10.014 1.524 1.00 0.00 N ATOM 846 CA GLU A 53 2.621 10.280 2.551 1.00 0.00 C ATOM 847 C GLU A 53 1.281 9.677 2.123 1.00 0.00 C ATOM 848 O GLU A 53 0.721 10.090 1.107 1.00 0.00 O ATOM 849 CB GLU A 53 2.490 11.803 2.684 1.00 0.00 C ATOM 850 CG GLU A 53 2.556 12.361 4.096 1.00 0.00 C ATOM 851 CD GLU A 53 1.754 11.590 5.121 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.242 10.554 5.605 1.00 0.00 O ATOM 853 OE2 GLU A 53 0.672 12.060 5.508 1.00 0.00 O ATOM 0 H GLU A 53 3.401 10.491 0.643 1.00 0.00 H new ATOM 0 HA GLU A 53 2.921 9.845 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.280 12.268 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.542 12.105 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.598 12.385 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.204 13.392 4.081 1.00 0.00 H new ATOM 860 N ILE A 54 0.766 8.699 2.860 1.00 0.00 N ATOM 861 CA ILE A 54 -0.529 8.112 2.494 1.00 0.00 C ATOM 862 C ILE A 54 -1.602 8.698 3.387 1.00 0.00 C ATOM 863 O ILE A 54 -1.333 9.036 4.540 1.00 0.00 O ATOM 864 CB ILE A 54 -0.643 6.573 2.667 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.665 5.800 2.422 1.00 0.00 C ATOM 866 CG2 ILE A 54 -1.723 6.033 1.749 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.113 5.690 0.988 1.00 0.00 C ATOM 0 H ILE A 54 1.205 8.302 3.691 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.640 8.340 1.434 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.896 6.414 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.459 6.280 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.548 4.793 2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.800 4.953 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.678 6.496 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.469 6.262 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.044 5.125 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.347 5.177 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.272 6.688 0.579 1.00 0.00 H new ATOM 879 N ASP A 55 -2.814 8.812 2.875 1.00 0.00 N ATOM 880 CA ASP A 55 -3.940 9.147 3.723 1.00 0.00 C ATOM 881 C ASP A 55 -4.955 8.023 3.638 1.00 0.00 C ATOM 882 O ASP A 55 -5.894 8.080 2.847 1.00 0.00 O ATOM 883 CB ASP A 55 -4.569 10.481 3.329 1.00 0.00 C ATOM 884 CG ASP A 55 -5.440 11.042 4.436 1.00 0.00 C ATOM 885 OD1 ASP A 55 -6.326 10.317 4.936 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.223 12.204 4.833 1.00 0.00 O ATOM 0 H ASP A 55 -3.041 8.679 1.889 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.593 9.259 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.783 11.196 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.167 10.349 2.428 1.00 0.00 H new ATOM 891 N PHE A 56 -4.753 7.000 4.459 1.00 0.00 N ATOM 892 CA PHE A 56 -5.471 5.736 4.322 1.00 0.00 C ATOM 893 C PHE A 56 -6.986 5.882 4.470 1.00 0.00 C ATOM 894 O PHE A 56 -7.733 4.975 4.114 1.00 0.00 O ATOM 895 CB PHE A 56 -4.929 4.712 5.318 1.00 0.00 C ATOM 896 CG PHE A 56 -4.101 3.641 4.662 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.733 3.786 4.490 1.00 0.00 C ATOM 898 CD2 PHE A 56 -4.705 2.492 4.199 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.992 2.791 3.868 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.977 1.504 3.583 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.620 1.648 3.413 1.00 0.00 C ATOM 0 H PHE A 56 -4.091 7.021 5.235 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.297 5.385 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.325 5.225 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.763 4.248 5.845 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.240 4.680 4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.770 2.366 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.926 2.910 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.472 0.611 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.048 0.872 2.926 1.00 0.00 H new ATOM 911 N GLU A 57 -7.440 7.022 4.968 1.00 0.00 N ATOM 912 CA GLU A 57 -8.866 7.262 5.134 1.00 0.00 C ATOM 913 C GLU A 57 -9.483 7.904 3.898 1.00 0.00 C ATOM 914 O GLU A 57 -10.702 8.045 3.807 1.00 0.00 O ATOM 915 CB GLU A 57 -9.104 8.135 6.356 1.00 0.00 C ATOM 916 CG GLU A 57 -8.895 7.398 7.663 1.00 0.00 C ATOM 917 CD GLU A 57 -10.027 6.439 7.975 1.00 0.00 C ATOM 918 OE1 GLU A 57 -10.078 5.352 7.372 1.00 0.00 O ATOM 919 OE2 GLU A 57 -10.879 6.779 8.826 1.00 0.00 O ATOM 0 H GLU A 57 -6.843 7.794 5.264 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.352 6.297 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.433 8.993 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.122 8.525 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.956 6.845 7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.802 8.121 8.473 1.00 0.00 H new ATOM 926 N THR A 58 -8.647 8.283 2.948 1.00 0.00 N ATOM 927 CA THR A 58 -9.130 8.939 1.742 1.00 0.00 C ATOM 928 C THR A 58 -8.967 8.048 0.517 1.00 0.00 C ATOM 929 O THR A 58 -9.639 8.254 -0.495 1.00 0.00 O ATOM 930 CB THR A 58 -8.402 10.272 1.500 1.00 0.00 C ATOM 931 OG1 THR A 58 -7.002 10.039 1.306 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.609 11.209 2.677 1.00 0.00 C ATOM 0 H THR A 58 -7.636 8.150 2.985 1.00 0.00 H new ATOM 0 HA THR A 58 -10.191 9.135 1.896 1.00 0.00 H new ATOM 0 HB THR A 58 -8.815 10.735 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.737 9.224 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.088 12.148 2.491 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.674 11.404 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.214 10.748 3.583 1.00 0.00 H new ATOM 940 N LEU A 59 -8.080 7.056 0.616 1.00 0.00 N ATOM 941 CA LEU A 59 -7.815 6.153 -0.502 1.00 0.00 C ATOM 942 C LEU A 59 -9.107 5.472 -0.911 1.00 0.00 C ATOM 943 O LEU A 59 -9.867 5.014 -0.055 1.00 0.00 O ATOM 944 CB LEU A 59 -6.799 5.067 -0.134 1.00 0.00 C ATOM 945 CG LEU A 59 -5.687 5.487 0.819 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.707 4.339 1.020 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.979 6.735 0.314 1.00 0.00 C ATOM 0 H LEU A 59 -7.536 6.859 1.456 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.405 6.751 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.337 4.231 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.343 4.698 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.130 5.732 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.917 4.651 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.232 3.481 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.269 4.062 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.190 7.013 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.543 6.535 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.696 7.552 0.232 1.00 0.00 H new ATOM 959 N LYS A 60 -9.365 5.421 -2.205 1.00 0.00 N ATOM 960 CA LYS A 60 -10.535 4.735 -2.714 1.00 0.00 C ATOM 961 C LYS A 60 -10.476 3.260 -2.320 1.00 0.00 C ATOM 962 O LYS A 60 -9.392 2.683 -2.211 1.00 0.00 O ATOM 963 CB LYS A 60 -10.582 4.888 -4.233 1.00 0.00 C ATOM 964 CG LYS A 60 -10.518 6.335 -4.686 1.00 0.00 C ATOM 965 CD LYS A 60 -10.629 6.459 -6.191 1.00 0.00 C ATOM 966 CE LYS A 60 -10.249 7.855 -6.650 1.00 0.00 C ATOM 967 NZ LYS A 60 -8.833 8.180 -6.324 1.00 0.00 N ATOM 0 H LYS A 60 -8.778 5.847 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.439 5.169 -2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.751 4.338 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.499 4.435 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.323 6.899 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.580 6.779 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.980 5.726 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.649 6.234 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.402 7.938 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.907 8.584 -6.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.805 8.958 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.369 7.342 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.335 8.468 -7.190 1.00 0.00 H new ATOM 981 N PRO A 61 -11.644 2.634 -2.082 1.00 0.00 N ATOM 982 CA PRO A 61 -11.718 1.234 -1.651 1.00 0.00 C ATOM 983 C PRO A 61 -11.070 0.292 -2.659 1.00 0.00 C ATOM 984 O PRO A 61 -10.609 -0.794 -2.305 1.00 0.00 O ATOM 985 CB PRO A 61 -13.219 0.946 -1.541 1.00 0.00 C ATOM 986 CG PRO A 61 -13.898 2.276 -1.531 1.00 0.00 C ATOM 987 CD PRO A 61 -12.976 3.251 -2.212 1.00 0.00 C ATOM 0 HA PRO A 61 -11.184 1.076 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.562 0.340 -2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.443 0.388 -0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.855 2.224 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.107 2.594 -0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.249 3.395 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.010 4.231 -1.736 1.00 0.00 H new ATOM 995 N SER A 62 -11.031 0.722 -3.911 1.00 0.00 N ATOM 996 CA SER A 62 -10.373 -0.031 -4.964 1.00 0.00 C ATOM 997 C SER A 62 -8.858 0.049 -4.801 1.00 0.00 C ATOM 998 O SER A 62 -8.137 -0.913 -5.081 1.00 0.00 O ATOM 999 CB SER A 62 -10.803 0.513 -6.325 1.00 0.00 C ATOM 1000 OG SER A 62 -10.781 1.930 -6.327 1.00 0.00 O ATOM 0 H SER A 62 -11.452 1.597 -4.223 1.00 0.00 H new ATOM 0 HA SER A 62 -10.665 -1.079 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.138 0.133 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.806 0.159 -6.563 1.00 0.00 H new ATOM 0 HG SER A 62 -11.669 2.271 -6.092 1.00 0.00 H new ATOM 1006 N THR A 63 -8.386 1.198 -4.326 1.00 0.00 N ATOM 1007 CA THR A 63 -6.975 1.398 -4.051 1.00 0.00 C ATOM 1008 C THR A 63 -6.531 0.477 -2.921 1.00 0.00 C ATOM 1009 O THR A 63 -5.570 -0.270 -3.070 1.00 0.00 O ATOM 1010 CB THR A 63 -6.686 2.871 -3.681 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.377 3.729 -4.601 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.197 3.168 -3.736 1.00 0.00 C ATOM 0 H THR A 63 -8.970 2.009 -4.123 1.00 0.00 H new ATOM 0 HA THR A 63 -6.412 1.158 -4.953 1.00 0.00 H new ATOM 0 HB THR A 63 -7.032 3.048 -2.663 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.453 4.627 -4.217 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.024 4.211 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.671 2.523 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.826 2.983 -4.744 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.269 0.507 -1.812 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.969 -0.335 -0.651 1.00 0.00 C ATOM 1022 C LEU A 64 -6.920 -1.806 -1.030 1.00 0.00 C ATOM 1023 O LEU A 64 -6.005 -2.527 -0.637 1.00 0.00 O ATOM 1024 CB LEU A 64 -8.021 -0.133 0.447 1.00 0.00 C ATOM 1025 CG LEU A 64 -8.009 1.233 1.126 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -9.214 1.389 2.040 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -6.735 1.408 1.920 1.00 0.00 C ATOM 0 H LEU A 64 -8.084 1.109 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.989 -0.036 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.008 -0.295 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.877 -0.899 1.209 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.057 2.001 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.186 2.370 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.129 1.294 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.192 0.615 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.737 2.386 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.671 0.630 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.877 1.334 1.252 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.897 -2.240 -1.807 1.00 0.00 N ATOM 1040 CA ARG A 65 -7.987 -3.632 -2.209 1.00 0.00 C ATOM 1041 C ARG A 65 -6.792 -4.013 -3.083 1.00 0.00 C ATOM 1042 O ARG A 65 -6.313 -5.139 -3.035 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.301 -3.858 -2.953 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.591 -5.308 -3.366 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.132 -6.374 -2.359 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.591 -7.696 -2.782 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.240 -8.846 -2.216 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.426 -8.868 -1.173 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.708 -9.988 -2.707 1.00 0.00 N ATOM 0 H ARG A 65 -8.641 -1.646 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.968 -4.268 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.119 -3.509 -2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.301 -3.237 -3.849 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.664 -5.417 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.106 -5.501 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.045 -6.366 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.526 -6.143 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.232 -7.739 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.060 -7.995 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.165 -9.758 -0.748 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.333 -9.979 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.443 -10.874 -2.278 1.00 0.00 H new ATOM 1063 N GLU A 66 -6.295 -3.052 -3.847 1.00 0.00 N ATOM 1064 CA GLU A 66 -5.159 -3.280 -4.726 1.00 0.00 C ATOM 1065 C GLU A 66 -3.878 -3.359 -3.910 1.00 0.00 C ATOM 1066 O GLU A 66 -3.007 -4.188 -4.172 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.093 -2.156 -5.766 1.00 0.00 C ATOM 1068 CG GLU A 66 -3.820 -2.123 -6.597 1.00 0.00 C ATOM 1069 CD GLU A 66 -3.718 -3.263 -7.589 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -3.169 -4.323 -7.237 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -4.172 -3.091 -8.740 1.00 0.00 O ATOM 0 H GLU A 66 -6.664 -2.101 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.277 -4.229 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.945 -2.253 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.199 -1.200 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.772 -1.177 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.959 -2.154 -5.930 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.799 -2.525 -2.884 1.00 0.00 N ATOM 1079 CA LEU A 67 -2.639 -2.471 -2.023 1.00 0.00 C ATOM 1080 C LEU A 67 -2.537 -3.775 -1.239 1.00 0.00 C ATOM 1081 O LEU A 67 -1.514 -4.459 -1.255 1.00 0.00 O ATOM 1082 CB LEU A 67 -2.790 -1.283 -1.064 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.067 0.060 -1.739 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.233 1.149 -0.698 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -1.957 0.413 -2.705 1.00 0.00 C ATOM 0 H LEU A 67 -4.538 -1.870 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.732 -2.343 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.602 -1.497 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.879 -1.194 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.995 -0.024 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.430 2.099 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.068 0.902 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.320 1.230 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.174 1.372 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.012 0.479 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.884 -0.358 -3.472 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.647 -4.125 -0.601 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.734 -5.305 0.252 1.00 0.00 C ATOM 1099 C GLU A 68 -3.570 -6.593 -0.549 1.00 0.00 C ATOM 1100 O GLU A 68 -2.765 -7.454 -0.193 1.00 0.00 O ATOM 1101 CB GLU A 68 -5.080 -5.296 0.983 1.00 0.00 C ATOM 1102 CG GLU A 68 -5.362 -6.537 1.812 1.00 0.00 C ATOM 1103 CD GLU A 68 -6.147 -7.590 1.054 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -7.156 -7.233 0.412 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.769 -8.781 1.116 1.00 0.00 O ATOM 0 H GLU A 68 -4.517 -3.596 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.920 -5.271 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.117 -4.424 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.876 -5.178 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.417 -6.966 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.917 -6.252 2.706 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.331 -6.718 -1.631 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.300 -7.929 -2.451 1.00 0.00 C ATOM 1114 C ARG A 69 -2.908 -8.149 -3.030 1.00 0.00 C ATOM 1115 O ARG A 69 -2.477 -9.282 -3.246 1.00 0.00 O ATOM 1116 CB ARG A 69 -5.329 -7.841 -3.577 1.00 0.00 C ATOM 1117 CG ARG A 69 -5.548 -9.151 -4.308 1.00 0.00 C ATOM 1118 CD ARG A 69 -6.262 -8.932 -5.632 1.00 0.00 C ATOM 1119 NE ARG A 69 -5.558 -7.978 -6.488 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.142 -7.266 -7.450 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -7.445 -7.391 -7.678 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -5.428 -6.419 -8.181 1.00 0.00 N ATOM 0 H ARG A 69 -4.975 -6.000 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.551 -8.777 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.279 -7.503 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.007 -7.085 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.588 -9.636 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.134 -9.825 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.357 -9.884 -6.154 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.273 -8.570 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.557 -7.850 -6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.002 -8.034 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.888 -6.844 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.429 -6.312 -8.007 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.879 -5.875 -8.917 1.00 0.00 H new ATOM 1136 N TYR A 70 -2.197 -7.057 -3.249 1.00 0.00 N ATOM 1137 CA TYR A 70 -0.861 -7.129 -3.822 1.00 0.00 C ATOM 1138 C TYR A 70 0.159 -7.566 -2.777 1.00 0.00 C ATOM 1139 O TYR A 70 0.964 -8.461 -3.023 1.00 0.00 O ATOM 1140 CB TYR A 70 -0.454 -5.780 -4.424 1.00 0.00 C ATOM 1141 CG TYR A 70 1.022 -5.673 -4.719 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.574 -6.249 -5.855 1.00 0.00 C ATOM 1143 CD2 TYR A 70 1.864 -5.008 -3.844 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.926 -6.162 -6.112 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.218 -4.917 -4.091 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.744 -5.497 -5.227 1.00 0.00 C ATOM 1147 OH TYR A 70 5.093 -5.411 -5.477 1.00 0.00 O ATOM 0 H TYR A 70 -2.519 -6.112 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.881 -7.874 -4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.013 -5.619 -5.346 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.738 -4.984 -3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.934 -6.774 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.454 -4.553 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.340 -6.613 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.863 -4.395 -3.399 1.00 0.00 H new ATOM 0 HH TYR A 70 5.505 -4.792 -4.839 1.00 0.00 H new ATOM 1157 N VAL A 71 0.129 -6.933 -1.618 1.00 0.00 N ATOM 1158 CA VAL A 71 1.098 -7.236 -0.577 1.00 0.00 C ATOM 1159 C VAL A 71 0.911 -8.642 -0.043 1.00 0.00 C ATOM 1160 O VAL A 71 1.882 -9.366 0.146 1.00 0.00 O ATOM 1161 CB VAL A 71 1.019 -6.237 0.584 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.311 -4.836 0.099 1.00 0.00 C ATOM 1163 CG2 VAL A 71 -0.331 -6.287 1.265 1.00 0.00 C ATOM 0 H VAL A 71 -0.549 -6.211 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 71 2.083 -7.156 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 71 1.775 -6.520 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.250 -4.141 0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.312 -4.801 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.581 -4.554 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.353 -5.567 2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.111 -6.042 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.503 -7.289 1.659 1.00 0.00 H new ATOM 1173 N THR A 72 -0.339 -9.032 0.177 1.00 0.00 N ATOM 1174 CA THR A 72 -0.648 -10.347 0.704 1.00 0.00 C ATOM 1175 C THR A 72 -0.127 -11.434 -0.239 1.00 0.00 C ATOM 1176 O THR A 72 0.262 -12.514 0.201 1.00 0.00 O ATOM 1177 CB THR A 72 -2.166 -10.508 0.952 1.00 0.00 C ATOM 1178 OG1 THR A 72 -2.428 -11.681 1.733 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.926 -10.605 -0.352 1.00 0.00 C ATOM 0 H THR A 72 -1.156 -8.449 -0.004 1.00 0.00 H new ATOM 0 HA THR A 72 -0.146 -10.456 1.665 1.00 0.00 H new ATOM 0 HB THR A 72 -2.502 -9.624 1.494 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.393 -11.766 1.882 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.990 -10.718 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.764 -9.699 -0.936 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.573 -11.468 -0.916 1.00 0.00 H new ATOM 1187 N SER A 73 -0.080 -11.121 -1.535 1.00 0.00 N ATOM 1188 CA SER A 73 0.471 -12.042 -2.521 1.00 0.00 C ATOM 1189 C SER A 73 1.967 -12.255 -2.264 1.00 0.00 C ATOM 1190 O SER A 73 2.519 -13.317 -2.547 1.00 0.00 O ATOM 1191 CB SER A 73 0.246 -11.508 -3.945 1.00 0.00 C ATOM 1192 OG SER A 73 1.299 -10.648 -4.358 1.00 0.00 O ATOM 0 H SER A 73 -0.416 -10.239 -1.922 1.00 0.00 H new ATOM 0 HA SER A 73 -0.043 -12.999 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.167 -12.345 -4.639 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.701 -10.969 -3.986 1.00 0.00 H new ATOM 0 HG SER A 73 1.107 -9.733 -4.065 1.00 0.00 H new ATOM 1198 N CYS A 74 2.603 -11.233 -1.704 1.00 0.00 N ATOM 1199 CA CYS A 74 4.037 -11.252 -1.446 1.00 0.00 C ATOM 1200 C CYS A 74 4.342 -11.835 -0.065 1.00 0.00 C ATOM 1201 O CYS A 74 5.198 -12.712 0.069 1.00 0.00 O ATOM 1202 CB CYS A 74 4.601 -9.831 -1.552 1.00 0.00 C ATOM 1203 SG CYS A 74 6.382 -9.716 -1.253 1.00 0.00 S ATOM 0 H CYS A 74 2.141 -10.370 -1.417 1.00 0.00 H new ATOM 0 HA CYS A 74 4.511 -11.888 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.385 -9.439 -2.546 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.082 -9.192 -0.838 1.00 0.00 H new ATOM 0 HG CYS A 74 6.785 -10.776 -0.617 1.00 0.00 H new ATOM 1209 N LEU A 75 3.647 -11.335 0.956 1.00 0.00 N ATOM 1210 CA LEU A 75 3.801 -11.820 2.328 1.00 0.00 C ATOM 1211 C LEU A 75 3.616 -13.332 2.394 1.00 0.00 C ATOM 1212 O LEU A 75 4.290 -14.021 3.156 1.00 0.00 O ATOM 1213 CB LEU A 75 2.774 -11.145 3.241 1.00 0.00 C ATOM 1214 CG LEU A 75 2.518 -9.677 2.949 1.00 0.00 C ATOM 1215 CD1 LEU A 75 1.323 -9.184 3.732 1.00 0.00 C ATOM 1216 CD2 LEU A 75 3.751 -8.866 3.281 1.00 0.00 C ATOM 0 H LEU A 75 2.963 -10.585 0.857 1.00 0.00 H new ATOM 0 HA LEU A 75 4.809 -11.574 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.830 -11.685 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.110 -11.241 4.273 1.00 0.00 H new ATOM 0 HG LEU A 75 2.298 -9.558 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.153 -8.130 3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.441 -9.760 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.512 -9.306 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.562 -7.814 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.992 -8.986 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.589 -9.213 2.676 1.00 0.00 H new ATOM 1228 N ARG A 76 2.710 -13.838 1.569 1.00 0.00 N ATOM 1229 CA ARG A 76 2.382 -15.255 1.558 1.00 0.00 C ATOM 1230 C ARG A 76 3.225 -16.019 0.539 1.00 0.00 C ATOM 1231 O ARG A 76 2.908 -17.153 0.181 1.00 0.00 O ATOM 1232 CB ARG A 76 0.895 -15.432 1.268 1.00 0.00 C ATOM 1233 CG ARG A 76 0.012 -14.945 2.401 1.00 0.00 C ATOM 1234 CD ARG A 76 -1.379 -14.609 1.913 1.00 0.00 C ATOM 1235 NE ARG A 76 -2.020 -15.727 1.230 1.00 0.00 N ATOM 1236 CZ ARG A 76 -3.161 -15.619 0.557 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.795 -14.451 0.499 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -3.668 -16.676 -0.056 1.00 0.00 N ATOM 0 H ARG A 76 2.186 -13.282 0.894 1.00 0.00 H new ATOM 0 HA ARG A 76 2.610 -15.669 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.640 -14.891 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.689 -16.486 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.047 -15.712 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.460 -14.064 2.861 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.994 -14.305 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.326 -13.757 1.236 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.568 -16.641 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.406 -13.635 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.670 -14.371 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.183 -17.572 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.544 -16.595 -0.573 1.00 0.00 H new ATOM 1443 N LEU B 204 0.707 6.877 6.383 1.00 0.00 N ATOM 1444 CA LEU B 204 1.805 5.948 6.147 1.00 0.00 C ATOM 1445 C LEU B 204 2.967 6.641 5.459 1.00 0.00 C ATOM 1446 O LEU B 204 2.817 7.197 4.372 1.00 0.00 O ATOM 1447 CB LEU B 204 1.308 4.767 5.304 1.00 0.00 C ATOM 1448 CG LEU B 204 2.375 3.839 4.689 1.00 0.00 C ATOM 1449 CD1 LEU B 204 3.311 3.284 5.728 1.00 0.00 C ATOM 1450 CD2 LEU B 204 1.711 2.691 3.940 1.00 0.00 C ATOM 0 HA LEU B 204 2.161 5.578 7.108 1.00 0.00 H new ATOM 0 HB2 LEU B 204 0.652 4.160 5.928 1.00 0.00 H new ATOM 0 HB3 LEU B 204 0.698 5.165 4.493 1.00 0.00 H new ATOM 0 HG LEU B 204 2.961 4.443 3.996 1.00 0.00 H new ATOM 0 HD11 LEU B 204 4.045 2.636 5.248 1.00 0.00 H new ATOM 0 HD12 LEU B 204 3.824 4.104 6.230 1.00 0.00 H new ATOM 0 HD13 LEU B 204 2.743 2.709 6.459 1.00 0.00 H new ATOM 0 HD21 LEU B 204 2.477 2.045 3.512 1.00 0.00 H new ATOM 0 HD22 LEU B 204 1.094 2.115 4.630 1.00 0.00 H new ATOM 0 HD23 LEU B 204 1.086 3.091 3.142 1.00 0.00 H new ATOM 1462 N LYS B 205 4.116 6.612 6.111 1.00 0.00 N ATOM 1463 CA LYS B 205 5.344 7.118 5.530 1.00 0.00 C ATOM 1464 C LYS B 205 6.210 5.970 5.057 1.00 0.00 C ATOM 1465 O LYS B 205 7.107 5.534 5.781 1.00 0.00 O ATOM 1466 CB LYS B 205 6.142 7.932 6.548 1.00 0.00 C ATOM 1467 CG LYS B 205 5.625 9.334 6.785 1.00 0.00 C ATOM 1468 CD LYS B 205 5.698 10.183 5.527 1.00 0.00 C ATOM 1469 CE LYS B 205 5.533 11.652 5.854 1.00 0.00 C ATOM 1470 NZ LYS B 205 4.334 11.888 6.704 1.00 0.00 N ATOM 0 H LYS B 205 4.223 6.238 7.054 1.00 0.00 H new ATOM 0 HA LYS B 205 5.069 7.757 4.691 1.00 0.00 H new ATOM 0 HB2 LYS B 205 6.146 7.396 7.497 1.00 0.00 H new ATOM 0 HB3 LYS B 205 7.177 7.994 6.212 1.00 0.00 H new ATOM 0 HG2 LYS B 205 4.593 9.287 7.132 1.00 0.00 H new ATOM 0 HG3 LYS B 205 6.206 9.807 7.577 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.655 10.022 5.031 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.921 9.873 4.829 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.423 12.014 6.369 1.00 0.00 H new ATOM 0 HE3 LYS B 205 5.444 12.224 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 3.939 12.827 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 3.619 11.160 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 4.605 11.842 7.707 1.00 0.00 H new ATOM 1484 N ILE B 206 5.948 5.456 3.867 1.00 0.00 N ATOM 1485 CA ILE B 206 6.835 4.450 3.327 1.00 0.00 C ATOM 1486 C ILE B 206 8.088 5.139 2.815 1.00 0.00 C ATOM 1487 O ILE B 206 8.099 5.710 1.718 1.00 0.00 O ATOM 1488 CB ILE B 206 6.244 3.596 2.183 1.00 0.00 C ATOM 1489 CG1 ILE B 206 4.745 3.380 2.310 1.00 0.00 C ATOM 1490 CG2 ILE B 206 6.909 2.244 2.222 1.00 0.00 C ATOM 1491 CD1 ILE B 206 4.115 2.774 1.071 1.00 0.00 C ATOM 0 H ILE B 206 5.156 5.710 3.277 1.00 0.00 H new ATOM 0 HA ILE B 206 7.034 3.757 4.145 1.00 0.00 H new ATOM 0 HB ILE B 206 6.423 4.130 1.250 1.00 0.00 H new ATOM 0 HG12 ILE B 206 4.550 2.729 3.162 1.00 0.00 H new ATOM 0 HG13 ILE B 206 4.265 4.335 2.522 1.00 0.00 H new ATOM 0 HG21 ILE B 206 6.510 1.619 1.423 1.00 0.00 H new ATOM 0 HG22 ILE B 206 7.984 2.363 2.087 1.00 0.00 H new ATOM 0 HG23 ILE B 206 6.715 1.771 3.184 1.00 0.00 H new ATOM 0 HD11 ILE B 206 3.044 2.648 1.232 1.00 0.00 H new ATOM 0 HD12 ILE B 206 4.279 3.435 0.219 1.00 0.00 H new ATOM 0 HD13 ILE B 206 4.569 1.804 0.870 1.00 0.00 H new ATOM 1503 N THR B 207 9.129 5.119 3.619 1.00 0.00 N ATOM 1504 CA THR B 207 10.361 5.784 3.268 1.00 0.00 C ATOM 1505 C THR B 207 11.326 4.788 2.634 1.00 0.00 C ATOM 1506 O THR B 207 11.827 3.877 3.296 1.00 0.00 O ATOM 1507 CB THR B 207 10.987 6.451 4.505 1.00 0.00 C ATOM 1508 OG1 THR B 207 9.970 7.151 5.234 1.00 0.00 O ATOM 1509 CG2 THR B 207 12.072 7.433 4.104 1.00 0.00 C ATOM 0 H THR B 207 9.145 4.647 4.523 1.00 0.00 H new ATOM 0 HA THR B 207 10.147 6.567 2.541 1.00 0.00 H new ATOM 0 HB THR B 207 11.432 5.673 5.126 1.00 0.00 H new ATOM 0 HG1 THR B 207 10.367 7.575 6.023 1.00 0.00 H new ATOM 0 HG21 THR B 207 12.497 7.890 4.997 1.00 0.00 H new ATOM 0 HG22 THR B 207 12.855 6.907 3.557 1.00 0.00 H new ATOM 0 HG23 THR B 207 11.644 8.208 3.469 1.00 0.00 H new ATOM 1517 N LYS B 208 11.561 4.969 1.340 1.00 0.00 N ATOM 1518 CA LYS B 208 12.330 4.019 0.545 1.00 0.00 C ATOM 1519 C LYS B 208 12.640 4.633 -0.817 1.00 0.00 C ATOM 1520 O LYS B 208 12.582 5.853 -0.957 1.00 0.00 O ATOM 1521 CB LYS B 208 11.566 2.688 0.377 1.00 0.00 C ATOM 1522 CG LYS B 208 10.432 2.714 -0.650 1.00 0.00 C ATOM 1523 CD LYS B 208 9.175 3.374 -0.128 1.00 0.00 C ATOM 1524 CE LYS B 208 8.735 4.520 -1.019 1.00 0.00 C ATOM 1525 NZ LYS B 208 9.653 5.676 -0.932 1.00 0.00 N ATOM 0 H LYS B 208 11.225 5.776 0.814 1.00 0.00 H new ATOM 0 HA LYS B 208 13.263 3.801 1.065 1.00 0.00 H new ATOM 0 HB2 LYS B 208 12.277 1.913 0.090 1.00 0.00 H new ATOM 0 HB3 LYS B 208 11.153 2.400 1.344 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.769 3.242 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS B 208 10.200 1.693 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS B 208 8.376 2.636 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.350 3.744 0.882 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.683 4.176 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.730 4.833 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 9.238 6.487 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.803 5.926 0.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 10.564 5.429 -1.368 1.00 0.00 H new