USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 479 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 24 LYS NZ :NH3+ 168:sc=-0.00332 (180deg=-0.132) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc=-0.00388 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= -1.51 USER MOD Single : A 17 HIS : no HE2:sc= -6.03! C(o=-6!,f=-9.6!) USER MOD Single : A 22 ASN : amide:sc= -2.17 K(o=-2.2,f=-14!) USER MOD Single : A 25 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.242) USER MOD Single : A 30 ASN : amide:sc= -0.404 K(o=-0.4,f=-2.7!) USER MOD Single : A 31 THR OG1 : rot 150:sc= 0.0526 USER MOD Single : A 33 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.048!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.28 K(o=-1.3,f=-11!) USER MOD Single : A 44 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.5!) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.578 F(o=-2.4,f=-0.58) USER MOD Single : A 46 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= 0.0258 (180deg=-1.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.86) USER MOD Single : A 61 TYR OH : rot 150:sc= -1.1 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -6.825 -7.710 -5.054 1.00 0.00 N ATOM 152 CA PRO A 10 -5.375 -7.854 -5.300 1.00 0.00 C ATOM 153 C PRO A 10 -4.565 -7.762 -4.012 1.00 0.00 C ATOM 154 O PRO A 10 -3.682 -8.581 -3.758 1.00 0.00 O ATOM 155 CB PRO A 10 -5.066 -6.697 -6.242 1.00 0.00 C ATOM 156 CG PRO A 10 -6.156 -5.663 -6.034 1.00 0.00 C ATOM 157 CD PRO A 10 -7.389 -6.423 -5.543 1.00 0.00 C ATOM 0 HA PRO A 10 -5.113 -8.826 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.085 -6.274 -6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.046 -7.036 -7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.846 -4.914 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.371 -5.134 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.905 -5.883 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.111 -6.579 -6.344 1.00 0.00 H new ATOM 165 N CYS A 11 -4.892 -6.771 -3.190 1.00 0.00 N ATOM 166 CA CYS A 11 -4.202 -6.602 -1.915 1.00 0.00 C ATOM 167 C CYS A 11 -4.935 -7.375 -0.828 1.00 0.00 C ATOM 168 O CYS A 11 -6.164 -7.448 -0.811 1.00 0.00 O ATOM 169 CB CYS A 11 -4.129 -5.132 -1.509 1.00 0.00 C ATOM 170 SG CYS A 11 -2.646 -4.378 -2.221 1.00 0.00 S ATOM 0 H CYS A 11 -5.619 -6.081 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.187 -6.982 -2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.018 -4.605 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.108 -5.045 -0.423 1.00 0.00 H new ATOM 175 N ARG A 12 -4.158 -7.945 0.077 1.00 0.00 N ATOM 176 CA ARG A 12 -4.720 -8.720 1.181 1.00 0.00 C ATOM 177 C ARG A 12 -3.945 -8.443 2.460 1.00 0.00 C ATOM 178 O ARG A 12 -4.523 -8.154 3.509 1.00 0.00 O ATOM 179 CB ARG A 12 -4.650 -10.219 0.876 1.00 0.00 C ATOM 180 CG ARG A 12 -5.628 -10.570 -0.253 1.00 0.00 C ATOM 181 CD ARG A 12 -6.858 -11.273 0.326 1.00 0.00 C ATOM 182 NE ARG A 12 -6.460 -12.424 1.134 1.00 0.00 N ATOM 183 CZ ARG A 12 -7.317 -13.003 1.971 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.021 -12.273 2.791 1.00 0.00 N ATOM 185 NH2 ARG A 12 -7.453 -14.301 1.971 1.00 0.00 N ATOM 0 H ARG A 12 -3.140 -7.889 0.074 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.762 -8.425 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.635 -10.493 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.893 -10.792 1.771 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.930 -9.665 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.139 -11.215 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.430 -10.574 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.512 -11.598 -0.483 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.511 -12.789 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.915 -11.259 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.678 -12.717 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.902 -14.871 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.110 -14.745 2.613 1.00 0.00 H new ATOM 199 N PHE A 13 -2.626 -8.530 2.355 1.00 0.00 N ATOM 200 CA PHE A 13 -1.760 -8.282 3.504 1.00 0.00 C ATOM 201 C PHE A 13 -0.989 -6.985 3.300 1.00 0.00 C ATOM 202 O PHE A 13 -0.399 -6.756 2.245 1.00 0.00 O ATOM 203 CB PHE A 13 -0.761 -9.427 3.696 1.00 0.00 C ATOM 204 CG PHE A 13 -1.489 -10.752 3.674 1.00 0.00 C ATOM 205 CD1 PHE A 13 -2.091 -11.240 4.840 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.559 -11.492 2.487 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.765 -12.467 4.818 1.00 0.00 C ATOM 208 CE2 PHE A 13 -2.233 -12.719 2.466 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.835 -13.207 3.632 1.00 0.00 C ATOM 0 H PHE A 13 -2.133 -8.768 1.494 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.390 -8.209 4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.009 -9.402 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.234 -9.307 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.036 -10.670 5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.093 -11.116 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.231 -12.843 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.289 -13.289 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.353 -14.154 3.616 1.00 0.00 H new ATOM 219 N PHE A 14 -1.009 -6.135 4.318 1.00 0.00 N ATOM 220 CA PHE A 14 -0.316 -4.855 4.236 1.00 0.00 C ATOM 221 C PHE A 14 0.841 -4.788 5.215 1.00 0.00 C ATOM 222 O PHE A 14 0.683 -5.059 6.405 1.00 0.00 O ATOM 223 CB PHE A 14 -1.259 -3.704 4.575 1.00 0.00 C ATOM 224 CG PHE A 14 -2.125 -3.390 3.390 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.058 -4.322 2.930 1.00 0.00 C ATOM 226 CD2 PHE A 14 -1.995 -2.156 2.756 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.863 -4.014 1.828 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.793 -1.845 1.658 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.731 -2.774 1.189 1.00 0.00 C ATOM 0 H PHE A 14 -1.491 -6.305 5.201 1.00 0.00 H new ATOM 0 HA PHE A 14 0.050 -4.767 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.880 -3.970 5.430 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.684 -2.823 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.158 -5.277 3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.273 -1.439 3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.586 -4.732 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.689 -0.888 1.168 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.351 -2.535 0.337 1.00 0.00 H new ATOM 239 N GLU A 15 2.000 -4.376 4.714 1.00 0.00 N ATOM 240 CA GLU A 15 3.166 -4.224 5.584 1.00 0.00 C ATOM 241 C GLU A 15 3.541 -2.739 5.654 1.00 0.00 C ATOM 242 O GLU A 15 4.048 -2.152 4.700 1.00 0.00 O ATOM 243 CB GLU A 15 4.346 -5.128 5.133 1.00 0.00 C ATOM 244 CG GLU A 15 5.180 -4.511 3.998 1.00 0.00 C ATOM 245 CD GLU A 15 4.290 -4.187 2.808 1.00 0.00 C ATOM 246 OE1 GLU A 15 3.336 -4.918 2.594 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.572 -3.218 2.124 1.00 0.00 O ATOM 0 H GLU A 15 2.159 -4.145 3.733 1.00 0.00 H new ATOM 0 HA GLU A 15 2.918 -4.563 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.994 -5.322 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.954 -6.091 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.673 -3.605 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.965 -5.204 3.696 1.00 0.00 H new ATOM 254 N SER A 16 3.224 -2.126 6.794 1.00 0.00 N ATOM 255 CA SER A 16 3.478 -0.698 6.986 1.00 0.00 C ATOM 256 C SER A 16 4.951 -0.412 7.299 1.00 0.00 C ATOM 257 O SER A 16 5.368 0.744 7.308 1.00 0.00 O ATOM 258 CB SER A 16 2.605 -0.153 8.122 1.00 0.00 C ATOM 259 OG SER A 16 3.075 1.132 8.512 1.00 0.00 O ATOM 0 H SER A 16 2.794 -2.591 7.593 1.00 0.00 H new ATOM 0 HA SER A 16 3.227 -0.199 6.050 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.567 -0.088 7.797 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.631 -0.834 8.973 1.00 0.00 H new ATOM 0 HG SER A 16 2.515 1.479 9.237 1.00 0.00 H new ATOM 265 N HIS A 17 5.744 -1.457 7.554 1.00 0.00 N ATOM 266 CA HIS A 17 7.164 -1.250 7.859 1.00 0.00 C ATOM 267 C HIS A 17 7.855 -0.464 6.737 1.00 0.00 C ATOM 268 O HIS A 17 8.854 0.220 6.959 1.00 0.00 O ATOM 269 CB HIS A 17 7.882 -2.592 8.080 1.00 0.00 C ATOM 270 CG HIS A 17 7.940 -3.395 6.803 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.717 -3.010 5.722 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.344 -4.575 6.434 1.00 0.00 C ATOM 273 CE1 HIS A 17 8.570 -3.943 4.764 1.00 0.00 C ATOM 274 NE2 HIS A 17 7.744 -4.920 5.146 1.00 0.00 N ATOM 0 H HIS A 17 5.439 -2.430 7.556 1.00 0.00 H new ATOM 0 HA HIS A 17 7.223 -0.670 8.780 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.893 -2.411 8.446 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.362 -3.163 8.849 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.295 -2.172 5.663 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.667 -5.149 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.061 -3.906 3.803 1.00 0.00 H new ATOM 282 N VAL A 18 7.298 -0.576 5.531 1.00 0.00 N ATOM 283 CA VAL A 18 7.840 0.116 4.364 1.00 0.00 C ATOM 284 C VAL A 18 7.990 1.612 4.630 1.00 0.00 C ATOM 285 O VAL A 18 7.344 2.182 5.509 1.00 0.00 O ATOM 286 CB VAL A 18 6.906 -0.082 3.159 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.494 0.584 1.910 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.729 -1.576 2.897 1.00 0.00 C ATOM 0 H VAL A 18 6.471 -1.140 5.338 1.00 0.00 H new ATOM 0 HA VAL A 18 8.823 -0.305 4.153 1.00 0.00 H new ATOM 0 HB VAL A 18 5.942 0.375 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.820 0.434 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.617 1.652 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.463 0.140 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.067 -1.720 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.699 -2.025 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.294 -2.051 3.777 1.00 0.00 H new ATOM 298 N ALA A 19 8.848 2.231 3.833 1.00 0.00 N ATOM 299 CA ALA A 19 9.101 3.659 3.935 1.00 0.00 C ATOM 300 C ALA A 19 9.476 4.195 2.561 1.00 0.00 C ATOM 301 O ALA A 19 10.185 3.539 1.799 1.00 0.00 O ATOM 302 CB ALA A 19 10.239 3.937 4.916 1.00 0.00 C ATOM 0 H ALA A 19 9.384 1.762 3.103 1.00 0.00 H new ATOM 0 HA ALA A 19 8.200 4.153 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.412 5.011 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.971 3.556 5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.147 3.443 4.570 1.00 0.00 H new ATOM 308 N ARG A 20 8.985 5.395 2.248 1.00 0.00 N ATOM 309 CA ARG A 20 9.255 6.031 0.948 1.00 0.00 C ATOM 310 C ARG A 20 10.724 5.895 0.533 1.00 0.00 C ATOM 311 O ARG A 20 11.047 5.861 -0.655 1.00 0.00 O ATOM 312 CB ARG A 20 8.889 7.511 1.004 1.00 0.00 C ATOM 313 CG ARG A 20 8.584 8.017 -0.407 1.00 0.00 C ATOM 314 CD ARG A 20 8.810 9.528 -0.467 1.00 0.00 C ATOM 315 NE ARG A 20 10.235 9.839 -0.387 1.00 0.00 N ATOM 316 CZ ARG A 20 10.674 11.085 -0.544 1.00 0.00 C ATOM 317 NH1 ARG A 20 10.117 12.062 0.118 1.00 0.00 N ATOM 318 NH2 ARG A 20 11.664 11.330 -1.359 1.00 0.00 N ATOM 0 H ARG A 20 8.399 5.949 2.872 1.00 0.00 H new ATOM 0 HA ARG A 20 8.643 5.517 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.023 7.658 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.710 8.083 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.224 7.514 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.554 7.782 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.397 9.926 -1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.280 10.013 0.353 1.00 0.00 H new ATOM 0 HE ARG A 20 10.903 9.090 -0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.345 11.870 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.454 13.017 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.101 10.566 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.001 12.285 -1.480 1.00 0.00 H new ATOM 332 N ALA A 21 11.607 5.816 1.524 1.00 0.00 N ATOM 333 CA ALA A 21 13.035 5.681 1.250 1.00 0.00 C ATOM 334 C ALA A 21 13.333 4.365 0.531 1.00 0.00 C ATOM 335 O ALA A 21 13.935 4.351 -0.542 1.00 0.00 O ATOM 336 CB ALA A 21 13.835 5.730 2.552 1.00 0.00 C ATOM 0 H ALA A 21 11.363 5.843 2.514 1.00 0.00 H new ATOM 0 HA ALA A 21 13.328 6.512 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.897 5.628 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.658 6.682 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.520 4.915 3.203 1.00 0.00 H new ATOM 342 N ASN A 22 12.918 3.258 1.143 1.00 0.00 N ATOM 343 CA ASN A 22 13.159 1.940 0.563 1.00 0.00 C ATOM 344 C ASN A 22 12.107 1.567 -0.492 1.00 0.00 C ATOM 345 O ASN A 22 12.177 0.492 -1.086 1.00 0.00 O ATOM 346 CB ASN A 22 13.173 0.875 1.665 1.00 0.00 C ATOM 347 CG ASN A 22 11.813 0.805 2.356 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.400 1.749 3.029 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.086 -0.273 2.224 1.00 0.00 N ATOM 0 H ASN A 22 12.418 3.247 2.032 1.00 0.00 H new ATOM 0 HA ASN A 22 14.129 1.980 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.421 -0.096 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.947 1.109 2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.175 -0.333 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.430 -1.055 1.666 1.00 0.00 H new ATOM 356 N VAL A 23 11.139 2.454 -0.732 1.00 0.00 N ATOM 357 CA VAL A 23 10.115 2.173 -1.734 1.00 0.00 C ATOM 358 C VAL A 23 10.670 2.485 -3.121 1.00 0.00 C ATOM 359 O VAL A 23 11.347 3.492 -3.321 1.00 0.00 O ATOM 360 CB VAL A 23 8.854 3.007 -1.471 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.764 2.643 -2.486 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.339 2.725 -0.050 1.00 0.00 C ATOM 0 H VAL A 23 11.044 3.352 -0.258 1.00 0.00 H new ATOM 0 HA VAL A 23 9.842 1.119 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 23 9.100 4.064 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.873 3.239 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.124 2.846 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.520 1.585 -2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.443 3.317 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.100 1.666 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.108 2.991 0.675 1.00 0.00 H new ATOM 372 N LYS A 24 10.392 1.598 -4.068 1.00 0.00 N ATOM 373 CA LYS A 24 10.886 1.776 -5.432 1.00 0.00 C ATOM 374 C LYS A 24 9.900 2.581 -6.267 1.00 0.00 C ATOM 375 O LYS A 24 10.249 3.610 -6.842 1.00 0.00 O ATOM 376 CB LYS A 24 11.109 0.418 -6.099 1.00 0.00 C ATOM 377 CG LYS A 24 12.069 0.578 -7.278 1.00 0.00 C ATOM 378 CD LYS A 24 11.944 -0.632 -8.207 1.00 0.00 C ATOM 379 CE LYS A 24 12.649 -0.333 -9.531 1.00 0.00 C ATOM 380 NZ LYS A 24 14.109 -0.159 -9.287 1.00 0.00 N ATOM 0 H LYS A 24 9.834 0.757 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 24 11.831 2.317 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.517 -0.290 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.159 0.010 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.842 1.494 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.093 0.668 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.386 -1.511 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.893 -0.860 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.482 -1.147 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.234 0.569 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.615 -0.159 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.274 0.744 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.458 -0.941 -8.697 1.00 0.00 H new ATOM 394 N HIS A 25 8.664 2.101 -6.331 1.00 0.00 N ATOM 395 CA HIS A 25 7.638 2.792 -7.109 1.00 0.00 C ATOM 396 C HIS A 25 6.253 2.504 -6.544 1.00 0.00 C ATOM 397 O HIS A 25 6.025 1.469 -5.918 1.00 0.00 O ATOM 398 CB HIS A 25 7.683 2.345 -8.571 1.00 0.00 C ATOM 399 CG HIS A 25 8.652 3.209 -9.329 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.332 4.494 -9.739 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.937 2.989 -9.758 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.403 4.993 -10.382 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.410 4.117 -10.423 1.00 0.00 N ATOM 0 H HIS A 25 8.349 1.251 -5.863 1.00 0.00 H new ATOM 0 HA HIS A 25 7.837 3.862 -7.050 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.985 1.300 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.690 2.417 -9.015 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.497 2.078 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.444 5.982 -10.813 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.328 4.246 -10.849 1.00 0.00 H new ATOM 411 N LEU A 26 5.328 3.430 -6.776 1.00 0.00 N ATOM 412 CA LEU A 26 3.966 3.262 -6.284 1.00 0.00 C ATOM 413 C LEU A 26 3.042 2.802 -7.402 1.00 0.00 C ATOM 414 O LEU A 26 3.223 3.149 -8.570 1.00 0.00 O ATOM 415 CB LEU A 26 3.415 4.573 -5.717 1.00 0.00 C ATOM 416 CG LEU A 26 3.802 4.733 -4.242 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.230 6.049 -3.714 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.225 3.581 -3.419 1.00 0.00 C ATOM 0 H LEU A 26 5.493 4.293 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 26 4.003 2.510 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.801 5.414 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.330 4.590 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 26 4.889 4.730 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.502 6.169 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.636 6.880 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.144 6.038 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.506 3.705 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.138 3.581 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.619 2.635 -3.791 1.00 0.00 H new ATOM 430 N LYS A 27 2.041 2.025 -7.018 1.00 0.00 N ATOM 431 CA LYS A 27 1.061 1.517 -7.974 1.00 0.00 C ATOM 432 C LYS A 27 -0.275 1.294 -7.271 1.00 0.00 C ATOM 433 O LYS A 27 -0.318 1.016 -6.075 1.00 0.00 O ATOM 434 CB LYS A 27 1.537 0.199 -8.589 1.00 0.00 C ATOM 435 CG LYS A 27 2.310 0.483 -9.877 1.00 0.00 C ATOM 436 CD LYS A 27 2.250 -0.745 -10.789 1.00 0.00 C ATOM 437 CE LYS A 27 3.394 -1.699 -10.438 1.00 0.00 C ATOM 438 NZ LYS A 27 2.926 -2.683 -9.421 1.00 0.00 N ATOM 0 H LYS A 27 1.883 1.731 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 27 0.942 2.252 -8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.172 -0.335 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.683 -0.445 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.885 1.348 -10.386 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.347 0.727 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.292 -1.251 -10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.324 -0.440 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.735 -2.219 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.245 -1.137 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.596 -2.706 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.986 -2.403 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.869 -3.628 -9.852 1.00 0.00 H new ATOM 452 N ILE A 28 -1.366 1.431 -8.019 1.00 0.00 N ATOM 453 CA ILE A 28 -2.691 1.248 -7.447 1.00 0.00 C ATOM 454 C ILE A 28 -3.580 0.459 -8.403 1.00 0.00 C ATOM 455 O ILE A 28 -3.471 0.582 -9.623 1.00 0.00 O ATOM 456 CB ILE A 28 -3.341 2.604 -7.169 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.401 3.455 -6.309 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.657 2.397 -6.424 1.00 0.00 C ATOM 459 CD1 ILE A 28 -2.924 4.892 -6.248 1.00 0.00 C ATOM 0 H ILE A 28 -1.358 1.666 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.583 0.696 -6.513 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.533 3.112 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.334 3.038 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.395 3.441 -6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.119 3.364 -6.226 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.328 1.791 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.464 1.887 -5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.255 5.497 -5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.968 5.306 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.922 4.898 -5.809 1.00 0.00 H new ATOM 471 N LEU A 29 -4.470 -0.347 -7.831 1.00 0.00 N ATOM 472 CA LEU A 29 -5.386 -1.145 -8.637 1.00 0.00 C ATOM 473 C LEU A 29 -6.808 -0.617 -8.482 1.00 0.00 C ATOM 474 O LEU A 29 -7.333 -0.519 -7.373 1.00 0.00 O ATOM 475 CB LEU A 29 -5.343 -2.617 -8.208 1.00 0.00 C ATOM 476 CG LEU A 29 -4.447 -3.407 -9.166 1.00 0.00 C ATOM 477 CD1 LEU A 29 -2.981 -3.205 -8.779 1.00 0.00 C ATOM 478 CD2 LEU A 29 -4.798 -4.894 -9.079 1.00 0.00 C ATOM 0 H LEU A 29 -4.576 -0.464 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.078 -1.071 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.964 -2.698 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.350 -3.035 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.604 -3.054 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.344 -3.768 -9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.731 -2.146 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.822 -3.558 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.161 -5.459 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.641 -5.246 -8.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.843 -5.038 -9.355 1.00 0.00 H new ATOM 490 N ASN A 30 -7.424 -0.276 -9.608 1.00 0.00 N ATOM 491 CA ASN A 30 -8.787 0.245 -9.590 1.00 0.00 C ATOM 492 C ASN A 30 -9.793 -0.897 -9.742 1.00 0.00 C ATOM 493 O ASN A 30 -10.668 -0.872 -10.609 1.00 0.00 O ATOM 494 CB ASN A 30 -8.987 1.255 -10.724 1.00 0.00 C ATOM 495 CG ASN A 30 -10.337 1.944 -10.562 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.726 2.308 -9.452 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.083 2.146 -11.613 1.00 0.00 N ATOM 0 H ASN A 30 -7.007 -0.349 -10.536 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.950 0.743 -8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.186 1.994 -10.712 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.939 0.749 -11.688 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.988 2.605 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.761 1.845 -12.533 1.00 0.00 H new ATOM 504 N THR A 31 -9.657 -1.901 -8.880 1.00 0.00 N ATOM 505 CA THR A 31 -10.556 -3.050 -8.917 1.00 0.00 C ATOM 506 C THR A 31 -11.996 -2.601 -8.645 1.00 0.00 C ATOM 507 O THR A 31 -12.222 -1.705 -7.831 1.00 0.00 O ATOM 508 CB THR A 31 -10.145 -4.080 -7.860 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.737 -4.025 -7.673 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.545 -5.480 -8.325 1.00 0.00 C ATOM 0 H THR A 31 -8.941 -1.943 -8.155 1.00 0.00 H new ATOM 0 HA THR A 31 -10.495 -3.502 -9.907 1.00 0.00 H new ATOM 0 HB THR A 31 -10.647 -3.856 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.520 -4.274 -6.751 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.252 -6.211 -7.572 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.625 -5.521 -8.469 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.044 -5.708 -9.266 1.00 0.00 H new ATOM 518 N PRO A 32 -12.991 -3.207 -9.313 1.00 0.00 N ATOM 519 CA PRO A 32 -14.406 -2.840 -9.114 1.00 0.00 C ATOM 520 C PRO A 32 -15.011 -3.527 -7.896 1.00 0.00 C ATOM 521 O PRO A 32 -15.625 -2.889 -7.042 1.00 0.00 O ATOM 522 CB PRO A 32 -15.064 -3.327 -10.398 1.00 0.00 C ATOM 523 CG PRO A 32 -14.180 -4.429 -10.962 1.00 0.00 C ATOM 524 CD PRO A 32 -12.801 -4.292 -10.308 1.00 0.00 C ATOM 0 HA PRO A 32 -14.542 -1.775 -8.927 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.068 -3.702 -10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.165 -2.510 -11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.608 -5.409 -10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.101 -4.341 -12.046 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.489 -5.222 -9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.034 -4.035 -11.039 1.00 0.00 H new ATOM 532 N ASN A 33 -14.821 -4.839 -7.828 1.00 0.00 N ATOM 533 CA ASN A 33 -15.340 -5.619 -6.715 1.00 0.00 C ATOM 534 C ASN A 33 -14.742 -5.142 -5.391 1.00 0.00 C ATOM 535 O ASN A 33 -15.335 -5.324 -4.328 1.00 0.00 O ATOM 536 CB ASN A 33 -15.011 -7.101 -6.902 1.00 0.00 C ATOM 537 CG ASN A 33 -16.002 -7.947 -6.111 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.236 -7.698 -4.929 1.00 0.00 O ATOM 539 ND2 ASN A 33 -16.604 -8.945 -6.700 1.00 0.00 N ATOM 0 H ASN A 33 -14.314 -5.382 -8.527 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.421 -5.483 -6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.055 -7.363 -7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.994 -7.304 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.268 -9.518 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.410 -9.151 -7.680 1.00 0.00 H new ATOM 546 N CYS A 34 -13.557 -4.532 -5.463 1.00 0.00 N ATOM 547 CA CYS A 34 -12.892 -4.040 -4.255 1.00 0.00 C ATOM 548 C CYS A 34 -12.636 -2.540 -4.376 1.00 0.00 C ATOM 549 O CYS A 34 -12.840 -1.944 -5.433 1.00 0.00 O ATOM 550 CB CYS A 34 -11.553 -4.762 -4.022 1.00 0.00 C ATOM 551 SG CYS A 34 -11.758 -6.553 -4.240 1.00 0.00 S ATOM 0 H CYS A 34 -13.045 -4.369 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.548 -4.240 -3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.804 -4.387 -4.719 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.188 -4.550 -3.017 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.619 -7.147 -4.042 1.00 0.00 H new ATOM 556 N ALA A 35 -12.194 -1.933 -3.278 1.00 0.00 N ATOM 557 CA ALA A 35 -11.920 -0.497 -3.269 1.00 0.00 C ATOM 558 C ALA A 35 -10.534 -0.210 -3.848 1.00 0.00 C ATOM 559 O ALA A 35 -9.900 -1.085 -4.440 1.00 0.00 O ATOM 560 CB ALA A 35 -11.992 0.048 -1.841 1.00 0.00 C ATOM 0 H ALA A 35 -12.019 -2.406 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.674 -0.005 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.786 1.118 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.988 -0.127 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.253 -0.459 -1.220 1.00 0.00 H new ATOM 566 N LEU A 36 -10.070 1.027 -3.669 1.00 0.00 N ATOM 567 CA LEU A 36 -8.756 1.420 -4.175 1.00 0.00 C ATOM 568 C LEU A 36 -7.664 0.920 -3.238 1.00 0.00 C ATOM 569 O LEU A 36 -7.392 1.520 -2.198 1.00 0.00 O ATOM 570 CB LEU A 36 -8.657 2.949 -4.285 1.00 0.00 C ATOM 571 CG LEU A 36 -9.350 3.445 -5.565 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.664 2.845 -6.796 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.827 3.034 -5.552 1.00 0.00 C ATOM 0 H LEU A 36 -10.578 1.766 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.626 0.978 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.118 3.412 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.610 3.252 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.278 4.532 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.160 3.201 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.617 3.149 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.725 1.758 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.311 3.389 -6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.902 1.948 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.319 3.473 -4.684 1.00 0.00 H new ATOM 585 N GLN A 37 -7.047 -0.191 -3.620 1.00 0.00 N ATOM 586 CA GLN A 37 -5.980 -0.785 -2.812 1.00 0.00 C ATOM 587 C GLN A 37 -4.627 -0.350 -3.364 1.00 0.00 C ATOM 588 O GLN A 37 -4.240 -0.735 -4.468 1.00 0.00 O ATOM 589 CB GLN A 37 -6.068 -2.326 -2.820 1.00 0.00 C ATOM 590 CG GLN A 37 -7.540 -2.772 -2.837 1.00 0.00 C ATOM 591 CD GLN A 37 -7.657 -4.248 -2.479 1.00 0.00 C ATOM 592 OE1 GLN A 37 -6.865 -5.073 -2.935 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.619 -4.635 -1.688 1.00 0.00 N ATOM 0 H GLN A 37 -7.262 -0.699 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.094 -0.441 -1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.550 -2.723 -3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.567 -2.731 -1.941 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.115 -2.174 -2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.967 -2.597 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.275 -3.951 -1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.715 -5.621 -1.447 1.00 0.00 H new ATOM 602 N ILE A 38 -3.919 0.480 -2.597 1.00 0.00 N ATOM 603 CA ILE A 38 -2.621 0.982 -3.041 1.00 0.00 C ATOM 604 C ILE A 38 -1.534 -0.076 -2.895 1.00 0.00 C ATOM 605 O ILE A 38 -1.210 -0.530 -1.791 1.00 0.00 O ATOM 606 CB ILE A 38 -2.200 2.226 -2.256 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.344 3.245 -2.241 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.972 2.851 -2.928 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.136 4.225 -1.086 1.00 0.00 C ATOM 0 H ILE A 38 -4.217 0.814 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.736 1.241 -4.093 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.960 1.943 -1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.378 3.784 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.300 2.733 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.666 3.738 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.155 2.129 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.220 3.130 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.949 4.951 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.123 3.679 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.187 4.745 -1.217 1.00 0.00 H new ATOM 621 N VAL A 39 -0.947 -0.428 -4.029 1.00 0.00 N ATOM 622 CA VAL A 39 0.134 -1.400 -4.046 1.00 0.00 C ATOM 623 C VAL A 39 1.454 -0.666 -4.224 1.00 0.00 C ATOM 624 O VAL A 39 1.478 0.550 -4.418 1.00 0.00 O ATOM 625 CB VAL A 39 -0.050 -2.416 -5.178 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.317 -3.235 -4.926 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.179 -1.681 -6.512 1.00 0.00 C ATOM 0 H VAL A 39 -1.200 -0.057 -4.945 1.00 0.00 H new ATOM 0 HA VAL A 39 0.129 -1.946 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 39 0.814 -3.079 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.449 -3.958 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.227 -3.762 -3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.180 -2.569 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.310 -2.406 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.042 -1.016 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.723 -1.096 -6.694 1.00 0.00 H new ATOM 637 N ALA A 40 2.552 -1.399 -4.132 1.00 0.00 N ATOM 638 CA ALA A 40 3.862 -0.781 -4.257 1.00 0.00 C ATOM 639 C ALA A 40 4.932 -1.806 -4.567 1.00 0.00 C ATOM 640 O ALA A 40 4.660 -2.996 -4.684 1.00 0.00 O ATOM 641 CB ALA A 40 4.231 -0.091 -2.954 1.00 0.00 C ATOM 0 H ALA A 40 2.564 -2.407 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 40 3.808 -0.063 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.213 0.371 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.491 0.676 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.254 -0.824 -2.148 1.00 0.00 H new ATOM 647 N ARG A 41 6.160 -1.313 -4.676 1.00 0.00 N ATOM 648 CA ARG A 41 7.307 -2.171 -4.949 1.00 0.00 C ATOM 649 C ARG A 41 8.510 -1.690 -4.141 1.00 0.00 C ATOM 650 O ARG A 41 8.997 -0.573 -4.331 1.00 0.00 O ATOM 651 CB ARG A 41 7.640 -2.156 -6.440 1.00 0.00 C ATOM 652 CG ARG A 41 8.783 -3.139 -6.734 1.00 0.00 C ATOM 653 CD ARG A 41 8.218 -4.452 -7.289 1.00 0.00 C ATOM 654 NE ARG A 41 8.722 -4.697 -8.638 1.00 0.00 N ATOM 655 CZ ARG A 41 9.948 -5.174 -8.833 1.00 0.00 C ATOM 656 NH1 ARG A 41 10.175 -6.455 -8.722 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.923 -4.363 -9.138 1.00 0.00 N ATOM 0 H ARG A 41 6.387 -0.323 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 41 7.062 -3.193 -4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.758 -2.427 -7.021 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.927 -1.150 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.475 -2.700 -7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.349 -3.334 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.495 -5.279 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.129 -4.409 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 41 8.125 -4.500 -9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.412 -7.090 -8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.115 -6.821 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.745 -3.363 -9.227 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.863 -4.729 -9.287 1.00 0.00 H new ATOM 671 N LEU A 42 8.969 -2.540 -3.220 1.00 0.00 N ATOM 672 CA LEU A 42 10.097 -2.196 -2.363 1.00 0.00 C ATOM 673 C LEU A 42 11.427 -2.364 -3.092 1.00 0.00 C ATOM 674 O LEU A 42 11.520 -3.062 -4.105 1.00 0.00 O ATOM 675 CB LEU A 42 10.103 -3.087 -1.124 1.00 0.00 C ATOM 676 CG LEU A 42 8.751 -2.993 -0.417 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.705 -4.014 0.722 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.557 -1.579 0.152 1.00 0.00 C ATOM 0 H LEU A 42 8.577 -3.466 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 42 9.983 -1.150 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.305 -4.120 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.901 -2.780 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 42 7.954 -3.203 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.742 -3.950 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.836 -5.017 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.504 -3.803 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.592 -1.518 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.352 -1.362 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.590 -0.852 -0.660 1.00 0.00 H new ATOM 690 N LYS A 43 12.452 -1.706 -2.547 1.00 0.00 N ATOM 691 CA LYS A 43 13.797 -1.754 -3.125 1.00 0.00 C ATOM 692 C LYS A 43 14.674 -2.746 -2.365 1.00 0.00 C ATOM 693 O LYS A 43 14.959 -3.843 -2.847 1.00 0.00 O ATOM 694 CB LYS A 43 14.445 -0.358 -3.073 1.00 0.00 C ATOM 695 CG LYS A 43 14.851 0.092 -4.478 1.00 0.00 C ATOM 696 CD LYS A 43 15.922 -0.853 -5.034 1.00 0.00 C ATOM 697 CE LYS A 43 16.931 -0.055 -5.864 1.00 0.00 C ATOM 698 NZ LYS A 43 16.398 0.142 -7.241 1.00 0.00 N ATOM 0 H LYS A 43 12.377 -1.134 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 43 13.711 -2.078 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.746 0.359 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.320 -0.380 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.981 0.097 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.233 1.112 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.431 -1.363 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.457 -1.623 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.121 0.910 -5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.884 -0.583 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.084 0.684 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.238 -0.784 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.499 0.663 -7.194 1.00 0.00 H new ATOM 712 N ASN A 44 15.097 -2.347 -1.161 1.00 0.00 N ATOM 713 CA ASN A 44 15.944 -3.202 -0.321 1.00 0.00 C ATOM 714 C ASN A 44 15.368 -4.616 -0.223 1.00 0.00 C ATOM 715 O ASN A 44 16.097 -5.592 -0.048 1.00 0.00 O ATOM 716 CB ASN A 44 16.061 -2.615 1.087 1.00 0.00 C ATOM 717 CG ASN A 44 16.886 -1.334 1.039 1.00 0.00 C ATOM 718 OD1 ASN A 44 17.763 -1.183 0.187 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.658 -0.391 1.912 1.00 0.00 N ATOM 0 H ASN A 44 14.869 -1.443 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 44 16.930 -3.249 -0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.069 -2.406 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.530 -3.337 1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.205 0.469 1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.932 -0.514 2.618 1.00 0.00 H new ATOM 726 N ASN A 45 14.048 -4.706 -0.354 1.00 0.00 N ATOM 727 CA ASN A 45 13.365 -5.991 -0.300 1.00 0.00 C ATOM 728 C ASN A 45 13.206 -6.537 -1.722 1.00 0.00 C ATOM 729 O ASN A 45 13.246 -7.746 -1.947 1.00 0.00 O ATOM 730 CB ASN A 45 11.990 -5.814 0.366 1.00 0.00 C ATOM 731 CG ASN A 45 11.186 -7.112 0.315 1.00 0.00 C ATOM 732 OD1 ASN A 45 10.035 -7.119 -0.299 1.00 0.00 O flip ATOM 733 ND2 ASN A 45 11.611 -8.139 0.845 1.00 0.00 N flip ATOM 0 H ASN A 45 13.432 -3.905 -0.498 1.00 0.00 H new ATOM 0 HA ASN A 45 13.949 -6.699 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.121 -5.504 1.403 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.438 -5.020 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.511 -8.131 1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.063 -8.998 0.805 1.00 0.00 H new ATOM 740 N ASN A 46 13.029 -5.623 -2.676 1.00 0.00 N ATOM 741 CA ASN A 46 12.871 -6.007 -4.075 1.00 0.00 C ATOM 742 C ASN A 46 11.650 -6.905 -4.252 1.00 0.00 C ATOM 743 O ASN A 46 11.768 -8.123 -4.398 1.00 0.00 O ATOM 744 CB ASN A 46 14.117 -6.746 -4.571 1.00 0.00 C ATOM 745 CG ASN A 46 15.223 -5.739 -4.870 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.276 -5.757 -4.233 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.044 -4.852 -5.811 1.00 0.00 N ATOM 0 H ASN A 46 12.992 -4.618 -2.505 1.00 0.00 H new ATOM 0 HA ASN A 46 12.734 -5.097 -4.659 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.454 -7.458 -3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.880 -7.318 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.777 -4.174 -6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.171 -4.837 -6.339 1.00 0.00 H new ATOM 754 N ARG A 47 10.471 -6.289 -4.238 1.00 0.00 N ATOM 755 CA ARG A 47 9.225 -7.041 -4.398 1.00 0.00 C ATOM 756 C ARG A 47 8.026 -6.101 -4.327 1.00 0.00 C ATOM 757 O ARG A 47 8.139 -4.966 -3.871 1.00 0.00 O ATOM 758 CB ARG A 47 9.093 -8.114 -3.305 1.00 0.00 C ATOM 759 CG ARG A 47 9.425 -9.494 -3.885 1.00 0.00 C ATOM 760 CD ARG A 47 8.470 -10.541 -3.305 1.00 0.00 C ATOM 761 NE ARG A 47 7.117 -10.343 -3.817 1.00 0.00 N ATOM 762 CZ ARG A 47 6.111 -11.109 -3.407 1.00 0.00 C ATOM 763 NH1 ARG A 47 6.275 -12.398 -3.296 1.00 0.00 N ATOM 764 NH2 ARG A 47 4.959 -10.571 -3.117 1.00 0.00 N ATOM 0 H ARG A 47 10.350 -5.283 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 47 9.249 -7.527 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.765 -7.887 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.080 -8.113 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.340 -9.473 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.456 -9.759 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.819 -11.541 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.466 -10.474 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 47 6.941 -9.606 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.176 -12.819 -3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.503 -12.985 -2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.830 -9.563 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.187 -11.158 -2.802 1.00 0.00 H new ATOM 778 N GLN A 48 6.878 -6.589 -4.788 1.00 0.00 N ATOM 779 CA GLN A 48 5.662 -5.782 -4.774 1.00 0.00 C ATOM 780 C GLN A 48 4.862 -6.036 -3.500 1.00 0.00 C ATOM 781 O GLN A 48 4.667 -7.182 -3.097 1.00 0.00 O ATOM 782 CB GLN A 48 4.787 -6.109 -5.986 1.00 0.00 C ATOM 783 CG GLN A 48 3.621 -5.121 -6.064 1.00 0.00 C ATOM 784 CD GLN A 48 2.423 -5.797 -6.723 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.426 -6.044 -7.929 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.387 -6.114 -5.995 1.00 0.00 N ATOM 0 H GLN A 48 6.764 -7.527 -5.171 1.00 0.00 H new ATOM 0 HA GLN A 48 5.958 -4.734 -4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.380 -6.058 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.408 -7.128 -5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.354 -4.778 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.915 -4.240 -6.635 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.384 -5.910 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.580 -6.566 -6.425 1.00 0.00 H new ATOM 795 N VAL A 49 4.396 -4.958 -2.865 1.00 0.00 N ATOM 796 CA VAL A 49 3.614 -5.112 -1.633 1.00 0.00 C ATOM 797 C VAL A 49 2.446 -4.140 -1.589 1.00 0.00 C ATOM 798 O VAL A 49 2.264 -3.315 -2.476 1.00 0.00 O ATOM 799 CB VAL A 49 4.466 -4.847 -0.389 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.430 -6.002 -0.148 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.254 -3.547 -0.563 1.00 0.00 C ATOM 0 H VAL A 49 4.540 -3.995 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 49 3.254 -6.141 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 49 3.804 -4.756 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.028 -5.797 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.865 -6.923 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.087 -6.113 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.858 -3.366 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.905 -3.630 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.561 -2.718 -0.706 1.00 0.00 H new ATOM 811 N CYS A 50 1.675 -4.237 -0.511 1.00 0.00 N ATOM 812 CA CYS A 50 0.543 -3.351 -0.305 1.00 0.00 C ATOM 813 C CYS A 50 0.899 -2.391 0.820 1.00 0.00 C ATOM 814 O CYS A 50 1.065 -2.807 1.967 1.00 0.00 O ATOM 815 CB CYS A 50 -0.696 -4.154 0.088 1.00 0.00 C ATOM 816 SG CYS A 50 -1.125 -5.290 -1.255 1.00 0.00 S ATOM 0 H CYS A 50 1.816 -4.922 0.232 1.00 0.00 H new ATOM 0 HA CYS A 50 0.325 -2.808 -1.225 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.506 -4.712 1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.530 -3.482 0.291 1.00 0.00 H new ATOM 821 N ILE A 51 1.050 -1.110 0.490 1.00 0.00 N ATOM 822 CA ILE A 51 1.429 -0.141 1.516 1.00 0.00 C ATOM 823 C ILE A 51 0.219 0.312 2.311 1.00 0.00 C ATOM 824 O ILE A 51 -0.905 0.347 1.811 1.00 0.00 O ATOM 825 CB ILE A 51 2.136 1.075 0.920 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.269 0.603 0.003 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.729 1.901 2.063 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.979 1.808 -0.615 1.00 0.00 C ATOM 0 H ILE A 51 0.921 -0.728 -0.447 1.00 0.00 H new ATOM 0 HA ILE A 51 2.127 -0.648 2.183 1.00 0.00 H new ATOM 0 HB ILE A 51 1.429 1.675 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.981 0.003 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.869 -0.036 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.238 2.774 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.930 2.225 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.442 1.293 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.783 1.463 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.266 2.391 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.395 2.431 0.177 1.00 0.00 H new ATOM 840 N ASP A 52 0.471 0.642 3.571 1.00 0.00 N ATOM 841 CA ASP A 52 -0.589 1.077 4.466 1.00 0.00 C ATOM 842 C ASP A 52 -0.949 2.543 4.202 1.00 0.00 C ATOM 843 O ASP A 52 -0.060 3.376 4.021 1.00 0.00 O ATOM 844 CB ASP A 52 -0.136 0.930 5.921 1.00 0.00 C ATOM 845 CG ASP A 52 -1.341 0.612 6.801 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.000 -0.380 6.533 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.588 1.364 7.729 1.00 0.00 O ATOM 0 H ASP A 52 1.399 0.616 3.994 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.465 0.454 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.607 0.137 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.341 1.850 6.259 1.00 0.00 H new ATOM 852 N PRO A 53 -2.249 2.890 4.185 1.00 0.00 N ATOM 853 CA PRO A 53 -2.684 4.283 3.948 1.00 0.00 C ATOM 854 C PRO A 53 -2.455 5.175 5.167 1.00 0.00 C ATOM 855 O PRO A 53 -2.329 6.393 5.047 1.00 0.00 O ATOM 856 CB PRO A 53 -4.170 4.136 3.649 1.00 0.00 C ATOM 857 CG PRO A 53 -4.618 2.832 4.284 1.00 0.00 C ATOM 858 CD PRO A 53 -3.377 1.945 4.401 1.00 0.00 C ATOM 0 HA PRO A 53 -2.124 4.762 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.731 4.977 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.349 4.124 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.058 3.011 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.382 2.349 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.317 1.466 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.381 1.149 3.656 1.00 0.00 H new ATOM 866 N LYS A 54 -2.394 4.550 6.342 1.00 0.00 N ATOM 867 CA LYS A 54 -2.169 5.293 7.578 1.00 0.00 C ATOM 868 C LYS A 54 -0.680 5.608 7.780 1.00 0.00 C ATOM 869 O LYS A 54 -0.306 6.238 8.768 1.00 0.00 O ATOM 870 CB LYS A 54 -2.671 4.490 8.778 1.00 0.00 C ATOM 871 CG LYS A 54 -4.161 4.767 8.989 1.00 0.00 C ATOM 872 CD LYS A 54 -4.688 3.892 10.128 1.00 0.00 C ATOM 873 CE LYS A 54 -5.156 2.549 9.566 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.048 1.556 9.662 1.00 0.00 N ATOM 0 H LYS A 54 -2.496 3.542 6.463 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.720 6.230 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.508 3.425 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.109 4.762 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.316 5.820 9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.713 4.560 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.906 3.735 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.513 4.394 10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.025 2.194 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.465 2.665 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.445 0.607 9.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.497 1.564 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.428 1.803 10.460 1.00 0.00 H new ATOM 888 N LEU A 55 0.171 5.169 6.840 1.00 0.00 N ATOM 889 CA LEU A 55 1.610 5.422 6.948 1.00 0.00 C ATOM 890 C LEU A 55 1.891 6.913 7.095 1.00 0.00 C ATOM 891 O LEU A 55 1.044 7.755 6.798 1.00 0.00 O ATOM 892 CB LEU A 55 2.337 4.883 5.717 1.00 0.00 C ATOM 893 CG LEU A 55 2.876 3.477 6.005 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.541 2.913 4.748 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.904 3.538 7.138 1.00 0.00 C ATOM 0 H LEU A 55 -0.109 4.646 6.010 1.00 0.00 H new ATOM 0 HA LEU A 55 1.976 4.908 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.657 4.854 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.157 5.548 5.448 1.00 0.00 H new ATOM 0 HG LEU A 55 2.049 2.832 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.923 1.914 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.810 2.861 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.365 3.562 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.284 2.536 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.729 4.187 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.432 3.934 8.037 1.00 0.00 H new ATOM 907 N LYS A 56 3.085 7.222 7.583 1.00 0.00 N ATOM 908 CA LYS A 56 3.469 8.605 7.802 1.00 0.00 C ATOM 909 C LYS A 56 3.875 9.289 6.507 1.00 0.00 C ATOM 910 O LYS A 56 3.578 10.467 6.301 1.00 0.00 O ATOM 911 CB LYS A 56 4.624 8.692 8.799 1.00 0.00 C ATOM 912 CG LYS A 56 4.507 9.986 9.606 1.00 0.00 C ATOM 913 CD LYS A 56 5.016 9.748 11.030 1.00 0.00 C ATOM 914 CE LYS A 56 6.545 9.803 11.042 1.00 0.00 C ATOM 915 NZ LYS A 56 6.990 11.183 11.388 1.00 0.00 N ATOM 0 H LYS A 56 3.798 6.537 7.832 1.00 0.00 H new ATOM 0 HA LYS A 56 2.596 9.118 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.606 7.831 9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.577 8.666 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.085 10.778 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.470 10.319 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.609 10.502 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.674 8.779 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.939 9.090 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.938 9.517 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.029 11.221 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.625 11.853 10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.627 11.439 12.328 1.00 0.00 H new ATOM 929 N TRP A 57 4.562 8.562 5.637 1.00 0.00 N ATOM 930 CA TRP A 57 4.987 9.156 4.379 1.00 0.00 C ATOM 931 C TRP A 57 3.892 9.036 3.329 1.00 0.00 C ATOM 932 O TRP A 57 3.758 9.902 2.461 1.00 0.00 O ATOM 933 CB TRP A 57 6.297 8.543 3.870 1.00 0.00 C ATOM 934 CG TRP A 57 6.136 7.094 3.524 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.221 6.058 4.394 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.886 6.509 2.217 1.00 0.00 C ATOM 937 NE1 TRP A 57 6.065 4.876 3.692 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.849 5.104 2.348 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.695 7.063 0.941 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.632 4.275 1.250 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.468 6.231 -0.169 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.439 4.839 -0.013 1.00 0.00 C ATOM 0 H TRP A 57 4.831 7.587 5.773 1.00 0.00 H new ATOM 0 HA TRP A 57 5.175 10.213 4.566 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.637 9.091 2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.069 8.651 4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.384 6.141 5.458 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.105 3.949 4.116 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.723 8.135 0.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.613 3.202 1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.315 6.666 -1.146 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.268 4.203 -0.869 1.00 0.00 H new ATOM 953 N ILE A 58 3.094 7.973 3.416 1.00 0.00 N ATOM 954 CA ILE A 58 2.020 7.809 2.458 1.00 0.00 C ATOM 955 C ILE A 58 0.834 8.704 2.835 1.00 0.00 C ATOM 956 O ILE A 58 -0.018 8.975 1.992 1.00 0.00 O ATOM 957 CB ILE A 58 1.615 6.318 2.294 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.548 5.712 1.216 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.129 6.168 1.874 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.972 4.424 0.607 1.00 0.00 C ATOM 0 H ILE A 58 3.171 7.238 4.119 1.00 0.00 H new ATOM 0 HA ILE A 58 2.378 8.129 1.479 1.00 0.00 H new ATOM 0 HB ILE A 58 1.720 5.797 3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.711 6.445 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.521 5.499 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.115 5.111 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.511 6.615 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.033 6.673 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.661 4.036 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.834 3.680 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.011 4.640 0.140 1.00 0.00 H new ATOM 972 N GLN A 59 0.775 9.176 4.087 1.00 0.00 N ATOM 973 CA GLN A 59 -0.327 10.047 4.463 1.00 0.00 C ATOM 974 C GLN A 59 -0.204 11.375 3.715 1.00 0.00 C ATOM 975 O GLN A 59 -1.205 12.019 3.403 1.00 0.00 O ATOM 976 CB GLN A 59 -0.380 10.294 5.977 1.00 0.00 C ATOM 977 CG GLN A 59 0.915 10.957 6.459 1.00 0.00 C ATOM 978 CD GLN A 59 0.588 12.182 7.310 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.352 12.918 7.014 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.317 12.446 8.360 1.00 0.00 N ATOM 0 H GLN A 59 1.451 8.976 4.824 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.257 9.549 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.232 10.929 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.528 9.350 6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.503 10.246 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.524 11.250 5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.097 11.836 8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.107 13.262 8.935 1.00 0.00 H new ATOM 989 N GLU A 60 1.036 11.762 3.400 1.00 0.00 N ATOM 990 CA GLU A 60 1.266 12.996 2.657 1.00 0.00 C ATOM 991 C GLU A 60 1.016 12.740 1.175 1.00 0.00 C ATOM 992 O GLU A 60 0.471 13.582 0.461 1.00 0.00 O ATOM 993 CB GLU A 60 2.703 13.485 2.849 1.00 0.00 C ATOM 994 CG GLU A 60 2.780 14.368 4.097 1.00 0.00 C ATOM 995 CD GLU A 60 3.919 15.369 3.942 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.857 16.170 3.025 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.837 15.322 4.744 1.00 0.00 O ATOM 0 H GLU A 60 1.881 11.246 3.645 1.00 0.00 H new ATOM 0 HA GLU A 60 0.585 13.762 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.377 12.635 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.027 14.046 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.836 14.894 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.941 13.752 4.982 1.00 0.00 H new ATOM 1004 N TYR A 61 1.414 11.549 0.733 1.00 0.00 N ATOM 1005 CA TYR A 61 1.228 11.149 -0.659 1.00 0.00 C ATOM 1006 C TYR A 61 -0.270 11.039 -0.961 1.00 0.00 C ATOM 1007 O TYR A 61 -0.768 11.600 -1.935 1.00 0.00 O ATOM 1008 CB TYR A 61 1.959 9.799 -0.900 1.00 0.00 C ATOM 1009 CG TYR A 61 1.313 8.968 -1.995 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.026 9.535 -3.241 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.000 7.629 -1.745 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.424 8.760 -4.239 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.398 6.852 -2.740 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.109 7.417 -3.988 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.484 6.652 -4.972 1.00 0.00 O ATOM 0 H TYR A 61 1.866 10.846 1.317 1.00 0.00 H new ATOM 0 HA TYR A 61 1.653 11.894 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.998 9.996 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.969 9.226 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.269 10.570 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.223 7.194 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.202 9.196 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.156 5.817 -2.546 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.216 5.716 -4.864 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.969 10.303 -0.110 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.401 10.113 -0.280 1.00 0.00 C ATOM 1027 C LEU A 62 -3.132 11.448 -0.171 1.00 0.00 C ATOM 1028 O LEU A 62 -4.196 11.640 -0.759 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.927 9.153 0.790 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.922 8.170 0.166 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.890 6.851 0.940 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.331 8.763 0.228 1.00 0.00 C ATOM 0 H LEU A 62 -0.570 9.830 0.701 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.581 9.691 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.098 8.608 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.410 9.715 1.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.649 7.988 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.598 6.151 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.886 6.428 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.163 7.032 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.040 8.064 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.604 8.945 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.355 9.703 -0.323 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.545 12.370 0.589 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.150 13.687 0.768 1.00 0.00 C ATOM 1046 C GLU A 63 -3.018 14.510 -0.509 1.00 0.00 C ATOM 1047 O GLU A 63 -3.887 15.317 -0.838 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.473 14.438 1.916 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.286 15.688 2.260 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.368 16.744 2.863 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.916 16.540 3.979 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.128 17.740 2.203 1.00 0.00 O ATOM 0 H GLU A 63 -1.664 12.233 1.084 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.205 13.543 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.393 13.792 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.458 14.718 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.768 16.079 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.079 15.436 2.964 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.919 14.294 -1.227 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.677 15.019 -2.471 1.00 0.00 C ATOM 1061 C LYS A 64 -2.390 14.332 -3.632 1.00 0.00 C ATOM 1062 O LYS A 64 -2.899 14.986 -4.542 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.177 15.082 -2.770 1.00 0.00 C ATOM 1064 CG LYS A 64 0.069 16.005 -3.964 1.00 0.00 C ATOM 1065 CD LYS A 64 0.077 15.180 -5.254 1.00 0.00 C ATOM 1066 CE LYS A 64 1.071 15.789 -6.245 1.00 0.00 C ATOM 1067 NZ LYS A 64 1.721 14.701 -7.029 1.00 0.00 N ATOM 0 H LYS A 64 -1.188 13.629 -0.972 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.065 16.031 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.363 15.448 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.204 14.083 -2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.707 16.769 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.020 16.524 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.351 14.148 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.921 15.159 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.557 16.478 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.825 16.367 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.397 15.115 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.225 14.061 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.996 14.167 -7.550 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.418 13.003 -3.590 1.00 0.00 N ATOM 1082 CA ALA A 65 -3.069 12.231 -4.645 1.00 0.00 C ATOM 1083 C ALA A 65 -4.569 12.502 -4.656 1.00 0.00 C ATOM 1084 O ALA A 65 -5.184 12.637 -5.714 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.836 10.733 -4.435 1.00 0.00 C ATOM 0 H ALA A 65 -2.003 12.443 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.637 12.536 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.328 10.173 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.766 10.525 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.248 10.432 -3.471 1.00 0.00 H new