USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 491 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 Single : A 11 ASN : amide:sc=-0.00909 X(o=-0.0091,f=-0.063) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.164) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.444 K(o=-0.44,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 56 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.039) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 5.152 42.170 -10.350 1.00 0.00 N ATOM 140 CA ASN A 11 6.039 41.290 -9.597 1.00 0.00 C ATOM 141 C ASN A 11 5.241 40.377 -8.671 1.00 0.00 C ATOM 142 O ASN A 11 5.689 39.284 -8.325 1.00 0.00 O ATOM 143 CB ASN A 11 7.038 42.114 -8.784 1.00 0.00 C ATOM 144 CG ASN A 11 6.357 43.009 -7.765 1.00 0.00 C ATOM 145 OD1 ASN A 11 6.119 42.603 -6.628 1.00 0.00 O ATOM 146 ND2 ASN A 11 6.041 44.232 -8.172 1.00 0.00 N ATOM 0 HA ASN A 11 6.584 40.669 -10.308 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.726 41.442 -8.271 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.635 42.726 -9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.581 44.880 -7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.258 44.524 -9.125 1.00 0.00 H new ATOM 153 N GLN A 12 4.057 40.834 -8.274 1.00 0.00 N ATOM 154 CA GLN A 12 3.199 40.059 -7.387 1.00 0.00 C ATOM 155 C GLN A 12 2.891 38.690 -7.987 1.00 0.00 C ATOM 156 O GLN A 12 2.954 37.671 -7.299 1.00 0.00 O ATOM 157 CB GLN A 12 1.896 40.814 -7.116 1.00 0.00 C ATOM 158 CG GLN A 12 2.105 42.172 -6.466 1.00 0.00 C ATOM 159 CD GLN A 12 1.083 42.464 -5.383 1.00 0.00 C ATOM 160 OE1 GLN A 12 0.179 43.277 -5.571 1.00 0.00 O ATOM 161 NE2 GLN A 12 1.224 41.799 -4.242 1.00 0.00 N ATOM 0 H GLN A 12 3.671 41.736 -8.553 1.00 0.00 H new ATOM 0 HA GLN A 12 3.729 39.913 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.361 40.949 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.260 40.206 -6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.106 42.215 -6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.052 42.948 -7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.989 41.134 -4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.567 41.953 -3.477 1.00 0.00 H new ATOM 170 N VAL A 13 2.560 38.674 -9.273 1.00 0.00 N ATOM 171 CA VAL A 13 2.243 37.432 -9.967 1.00 0.00 C ATOM 172 C VAL A 13 3.460 36.516 -10.036 1.00 0.00 C ATOM 173 O VAL A 13 3.363 35.318 -9.777 1.00 0.00 O ATOM 174 CB VAL A 13 1.734 37.699 -11.395 1.00 0.00 C ATOM 175 CG1 VAL A 13 1.437 36.390 -12.110 1.00 0.00 C ATOM 176 CG2 VAL A 13 0.500 38.589 -11.362 1.00 0.00 C ATOM 0 H VAL A 13 2.504 39.509 -9.857 1.00 0.00 H new ATOM 0 HA VAL A 13 1.454 36.943 -9.395 1.00 0.00 H new ATOM 0 HB VAL A 13 2.515 38.219 -11.949 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.078 36.599 -13.118 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.346 35.791 -12.165 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.673 35.840 -11.560 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.153 38.768 -12.380 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.288 38.098 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.750 39.540 -10.891 1.00 0.00 H new ATOM 186 N ASN A 14 4.607 37.090 -10.387 1.00 0.00 N ATOM 187 CA ASN A 14 5.844 36.325 -10.491 1.00 0.00 C ATOM 188 C ASN A 14 6.153 35.611 -9.179 1.00 0.00 C ATOM 189 O ASN A 14 6.254 34.384 -9.137 1.00 0.00 O ATOM 190 CB ASN A 14 7.006 37.246 -10.870 1.00 0.00 C ATOM 191 CG ASN A 14 8.349 36.545 -10.791 1.00 0.00 C ATOM 192 OD1 ASN A 14 9.253 36.989 -10.083 1.00 0.00 O ATOM 193 ND2 ASN A 14 8.484 35.442 -11.518 1.00 0.00 N ATOM 0 H ASN A 14 4.705 38.082 -10.604 1.00 0.00 H new ATOM 0 HA ASN A 14 5.715 35.574 -11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.854 37.621 -11.882 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.011 38.111 -10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.364 34.926 -11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.708 35.110 -12.091 1.00 0.00 H new ATOM 200 N ASP A 15 6.303 36.385 -8.111 1.00 0.00 N ATOM 201 CA ASP A 15 6.598 35.827 -6.797 1.00 0.00 C ATOM 202 C ASP A 15 5.529 34.822 -6.379 1.00 0.00 C ATOM 203 O ASP A 15 5.841 33.749 -5.863 1.00 0.00 O ATOM 204 CB ASP A 15 6.700 36.943 -5.756 1.00 0.00 C ATOM 205 CG ASP A 15 7.696 38.015 -6.150 1.00 0.00 C ATOM 206 OD1 ASP A 15 8.763 37.661 -6.696 1.00 0.00 O ATOM 207 OD2 ASP A 15 7.411 39.208 -5.914 1.00 0.00 O ATOM 0 H ASP A 15 6.225 37.402 -8.129 1.00 0.00 H new ATOM 0 HA ASP A 15 7.555 35.308 -6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.719 37.397 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.992 36.515 -4.797 1.00 0.00 H new ATOM 212 N GLU A 16 4.268 35.177 -6.607 1.00 0.00 N ATOM 213 CA GLU A 16 3.154 34.306 -6.253 1.00 0.00 C ATOM 214 C GLU A 16 3.336 32.917 -6.859 1.00 0.00 C ATOM 215 O GLU A 16 3.188 31.904 -6.175 1.00 0.00 O ATOM 216 CB GLU A 16 1.833 34.913 -6.727 1.00 0.00 C ATOM 217 CG GLU A 16 1.162 35.798 -5.690 1.00 0.00 C ATOM 218 CD GLU A 16 0.281 35.015 -4.737 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.829 34.262 -3.905 1.00 0.00 O ATOM 220 OE2 GLU A 16 -0.958 35.153 -4.823 1.00 0.00 O ATOM 0 H GLU A 16 3.993 36.061 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 16 3.132 34.209 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.015 35.498 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.151 34.108 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.926 36.327 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.561 36.553 -6.197 1.00 0.00 H new ATOM 227 N LEU A 17 3.656 32.878 -8.148 1.00 0.00 N ATOM 228 CA LEU A 17 3.857 31.615 -8.849 1.00 0.00 C ATOM 229 C LEU A 17 5.125 30.919 -8.364 1.00 0.00 C ATOM 230 O LEU A 17 5.198 29.692 -8.332 1.00 0.00 O ATOM 231 CB LEU A 17 3.937 31.853 -10.359 1.00 0.00 C ATOM 232 CG LEU A 17 2.778 31.300 -11.187 1.00 0.00 C ATOM 233 CD1 LEU A 17 2.258 32.357 -12.149 1.00 0.00 C ATOM 234 CD2 LEU A 17 3.213 30.053 -11.945 1.00 0.00 C ATOM 0 H LEU A 17 3.782 33.707 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 17 3.005 30.969 -8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.003 32.927 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.863 31.412 -10.728 1.00 0.00 H new ATOM 0 HG LEU A 17 1.969 31.026 -10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.433 31.945 -12.730 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.909 33.222 -11.585 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.059 32.662 -12.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.376 29.672 -12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.038 30.302 -12.612 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.537 29.291 -11.236 1.00 0.00 H new ATOM 246 N ASN A 18 6.121 31.714 -7.984 1.00 0.00 N ATOM 247 CA ASN A 18 7.386 31.174 -7.500 1.00 0.00 C ATOM 248 C ASN A 18 7.168 30.300 -6.267 1.00 0.00 C ATOM 249 O ASN A 18 7.494 29.114 -6.268 1.00 0.00 O ATOM 250 CB ASN A 18 8.356 32.310 -7.168 1.00 0.00 C ATOM 251 CG ASN A 18 9.782 31.822 -6.997 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.314 31.808 -5.886 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.405 31.419 -8.096 1.00 0.00 N ATOM 0 H ASN A 18 6.076 32.733 -8.002 1.00 0.00 H new ATOM 0 HA ASN A 18 7.815 30.558 -8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.323 33.056 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.032 32.805 -6.252 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.365 31.079 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.924 31.449 -8.995 1.00 0.00 H new ATOM 260 N LYS A 19 6.615 30.898 -5.217 1.00 0.00 N ATOM 261 CA LYS A 19 6.351 30.176 -3.978 1.00 0.00 C ATOM 262 C LYS A 19 5.289 29.101 -4.189 1.00 0.00 C ATOM 263 O LYS A 19 5.460 27.956 -3.772 1.00 0.00 O ATOM 264 CB LYS A 19 5.898 31.146 -2.885 1.00 0.00 C ATOM 265 CG LYS A 19 6.993 32.089 -2.416 1.00 0.00 C ATOM 266 CD LYS A 19 7.163 33.263 -3.365 1.00 0.00 C ATOM 267 CE LYS A 19 8.011 34.362 -2.745 1.00 0.00 C ATOM 268 NZ LYS A 19 9.286 33.831 -2.186 1.00 0.00 N ATOM 0 H LYS A 19 6.341 31.880 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 19 7.276 29.692 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.059 31.734 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.533 30.574 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.754 32.458 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.934 31.545 -2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.628 32.921 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.184 33.663 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.232 35.119 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.445 34.855 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.934 34.620 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.090 33.316 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.724 33.186 -2.874 1.00 0.00 H new ATOM 282 N MET A 20 4.195 29.478 -4.841 1.00 0.00 N ATOM 283 CA MET A 20 3.107 28.545 -5.111 1.00 0.00 C ATOM 284 C MET A 20 3.624 27.294 -5.812 1.00 0.00 C ATOM 285 O MET A 20 3.378 26.174 -5.364 1.00 0.00 O ATOM 286 CB MET A 20 2.031 29.215 -5.967 1.00 0.00 C ATOM 287 CG MET A 20 1.118 30.144 -5.181 1.00 0.00 C ATOM 288 SD MET A 20 -0.262 29.274 -4.412 1.00 0.00 S ATOM 289 CE MET A 20 -0.724 30.438 -3.131 1.00 0.00 C ATOM 0 H MET A 20 4.038 30.423 -5.192 1.00 0.00 H new ATOM 0 HA MET A 20 2.670 28.251 -4.157 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.513 29.782 -6.764 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.427 28.444 -6.445 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.698 30.651 -4.410 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.731 30.915 -5.847 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.567 30.041 -2.566 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.121 30.595 -2.460 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.007 31.387 -3.586 1.00 0.00 H new ATOM 299 N GLN A 21 4.341 27.493 -6.914 1.00 0.00 N ATOM 300 CA GLN A 21 4.892 26.379 -7.677 1.00 0.00 C ATOM 301 C GLN A 21 5.860 25.562 -6.826 1.00 0.00 C ATOM 302 O GLN A 21 5.815 24.332 -6.825 1.00 0.00 O ATOM 303 CB GLN A 21 5.605 26.894 -8.929 1.00 0.00 C ATOM 304 CG GLN A 21 6.106 25.787 -9.842 1.00 0.00 C ATOM 305 CD GLN A 21 5.215 25.580 -11.052 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.059 25.178 -10.924 1.00 0.00 O ATOM 307 NE2 GLN A 21 5.750 25.857 -12.236 1.00 0.00 N ATOM 0 H GLN A 21 4.554 28.414 -7.298 1.00 0.00 H new ATOM 0 HA GLN A 21 4.067 25.733 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.923 27.534 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.449 27.515 -8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.116 26.026 -10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.168 24.856 -9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.713 26.188 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.198 25.739 -13.085 1.00 0.00 H new ATOM 316 N ALA A 22 6.736 26.255 -6.105 1.00 0.00 N ATOM 317 CA ALA A 22 7.713 25.593 -5.251 1.00 0.00 C ATOM 318 C ALA A 22 7.027 24.715 -4.209 1.00 0.00 C ATOM 319 O ALA A 22 7.412 23.565 -4.003 1.00 0.00 O ATOM 320 CB ALA A 22 8.602 26.625 -4.570 1.00 0.00 C ATOM 0 H ALA A 22 6.788 27.274 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 22 8.332 24.951 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.328 26.117 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.127 27.209 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.988 27.289 -3.961 1.00 0.00 H new ATOM 326 N PHE A 23 6.010 25.266 -3.555 1.00 0.00 N ATOM 327 CA PHE A 23 5.270 24.533 -2.535 1.00 0.00 C ATOM 328 C PHE A 23 4.613 23.289 -3.126 1.00 0.00 C ATOM 329 O PHE A 23 4.682 22.204 -2.549 1.00 0.00 O ATOM 330 CB PHE A 23 4.208 25.432 -1.899 1.00 0.00 C ATOM 331 CG PHE A 23 4.608 25.978 -0.559 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.777 26.710 -0.415 1.00 0.00 C ATOM 333 CD2 PHE A 23 3.816 25.761 0.557 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.148 27.213 0.818 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.182 26.263 1.792 1.00 0.00 C ATOM 336 CZ PHE A 23 5.348 26.990 1.922 1.00 0.00 C ATOM 0 H PHE A 23 5.680 26.218 -3.713 1.00 0.00 H new ATOM 0 HA PHE A 23 5.976 24.218 -1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.996 26.263 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.283 24.866 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.404 26.889 -1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.902 25.193 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.062 27.780 0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.556 26.086 2.654 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.635 27.384 2.886 1.00 0.00 H new ATOM 346 N ILE A 24 3.976 23.457 -4.279 1.00 0.00 N ATOM 347 CA ILE A 24 3.307 22.349 -4.950 1.00 0.00 C ATOM 348 C ILE A 24 4.313 21.313 -5.438 1.00 0.00 C ATOM 349 O ILE A 24 4.005 20.124 -5.523 1.00 0.00 O ATOM 350 CB ILE A 24 2.470 22.837 -6.147 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.421 23.850 -5.683 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.805 21.660 -6.844 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.883 24.718 -6.799 1.00 0.00 C ATOM 0 H ILE A 24 3.909 24.349 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 24 2.644 21.891 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 24 3.133 23.328 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.593 23.316 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.859 24.489 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.217 22.022 -7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.569 20.971 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.151 21.143 -6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.145 25.412 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.701 25.280 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.415 24.089 -7.556 1.00 0.00 H new ATOM 365 N ARG A 25 5.519 21.772 -5.756 1.00 0.00 N ATOM 366 CA ARG A 25 6.573 20.884 -6.235 1.00 0.00 C ATOM 367 C ARG A 25 7.056 19.963 -5.119 1.00 0.00 C ATOM 368 O ARG A 25 7.167 18.750 -5.304 1.00 0.00 O ATOM 369 CB ARG A 25 7.746 21.700 -6.782 1.00 0.00 C ATOM 370 CG ARG A 25 8.996 20.873 -7.037 1.00 0.00 C ATOM 371 CD ARG A 25 9.594 21.175 -8.403 1.00 0.00 C ATOM 372 NE ARG A 25 10.509 20.125 -8.843 1.00 0.00 N ATOM 373 CZ ARG A 25 11.707 19.921 -8.303 1.00 0.00 C ATOM 374 NH1 ARG A 25 12.129 20.689 -7.310 1.00 0.00 N ATOM 375 NH2 ARG A 25 12.483 18.946 -8.759 1.00 0.00 N ATOM 0 H ARG A 25 5.791 22.753 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 25 6.161 20.270 -7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.442 22.180 -7.712 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.985 22.496 -6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.734 21.079 -6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.752 19.813 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.792 21.287 -9.133 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.125 22.126 -8.364 1.00 0.00 H new ATOM 0 HE ARG A 25 10.213 19.515 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.535 21.439 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.048 20.530 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.161 18.353 -9.524 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.402 18.790 -8.345 1.00 0.00 H new ATOM 389 N LYS A 26 7.344 20.545 -3.960 1.00 0.00 N ATOM 390 CA LYS A 26 7.815 19.778 -2.813 1.00 0.00 C ATOM 391 C LYS A 26 6.715 18.865 -2.281 1.00 0.00 C ATOM 392 O LYS A 26 6.962 17.703 -1.961 1.00 0.00 O ATOM 393 CB LYS A 26 8.292 20.719 -1.704 1.00 0.00 C ATOM 394 CG LYS A 26 9.236 20.062 -0.713 1.00 0.00 C ATOM 395 CD LYS A 26 9.251 20.799 0.615 1.00 0.00 C ATOM 396 CE LYS A 26 8.659 19.952 1.731 1.00 0.00 C ATOM 397 NZ LYS A 26 7.219 20.259 1.956 1.00 0.00 N ATOM 0 H LYS A 26 7.259 21.547 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 26 8.651 19.159 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.792 21.576 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.425 21.103 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.934 19.027 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.243 20.039 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.275 21.072 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.687 21.727 0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.771 18.896 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.215 20.125 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.852 19.661 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.114 21.260 2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.683 20.070 1.085 1.00 0.00 H new ATOM 411 N GLU A 27 5.501 19.398 -2.191 1.00 0.00 N ATOM 412 CA GLU A 27 4.364 18.630 -1.698 1.00 0.00 C ATOM 413 C GLU A 27 4.058 17.457 -2.625 1.00 0.00 C ATOM 414 O GLU A 27 3.830 16.336 -2.170 1.00 0.00 O ATOM 415 CB GLU A 27 3.132 19.527 -1.567 1.00 0.00 C ATOM 416 CG GLU A 27 3.037 20.240 -0.229 1.00 0.00 C ATOM 417 CD GLU A 27 2.275 21.548 -0.317 1.00 0.00 C ATOM 418 OE1 GLU A 27 1.689 21.821 -1.385 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.266 22.298 0.680 1.00 0.00 O ATOM 0 H GLU A 27 5.279 20.359 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 27 4.622 18.236 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.148 20.270 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.236 18.923 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.547 19.586 0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.042 20.434 0.147 1.00 0.00 H new ATOM 426 N ALA A 28 4.052 17.725 -3.927 1.00 0.00 N ATOM 427 CA ALA A 28 3.776 16.693 -4.918 1.00 0.00 C ATOM 428 C ALA A 28 4.855 15.616 -4.905 1.00 0.00 C ATOM 429 O ALA A 28 4.555 14.423 -4.920 1.00 0.00 O ATOM 430 CB ALA A 28 3.659 17.310 -6.304 1.00 0.00 C ATOM 0 H ALA A 28 4.235 18.648 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 28 2.827 16.222 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.453 16.528 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.847 18.037 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.594 17.808 -6.560 1.00 0.00 H new ATOM 436 N GLU A 29 6.113 16.046 -4.881 1.00 0.00 N ATOM 437 CA GLU A 29 7.237 15.117 -4.868 1.00 0.00 C ATOM 438 C GLU A 29 7.213 14.250 -3.612 1.00 0.00 C ATOM 439 O GLU A 29 7.359 13.031 -3.684 1.00 0.00 O ATOM 440 CB GLU A 29 8.560 15.880 -4.949 1.00 0.00 C ATOM 441 CG GLU A 29 9.783 14.979 -4.978 1.00 0.00 C ATOM 442 CD GLU A 29 10.787 15.325 -3.896 1.00 0.00 C ATOM 443 OE1 GLU A 29 11.199 16.501 -3.822 1.00 0.00 O ATOM 444 OE2 GLU A 29 11.162 14.419 -3.122 1.00 0.00 O ATOM 0 H GLU A 29 6.379 17.031 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 29 7.147 14.467 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.556 16.502 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.635 16.552 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.469 13.942 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.264 15.056 -5.953 1.00 0.00 H new ATOM 451 N GLU A 30 7.028 14.891 -2.462 1.00 0.00 N ATOM 452 CA GLU A 30 6.987 14.179 -1.190 1.00 0.00 C ATOM 453 C GLU A 30 5.854 13.157 -1.175 1.00 0.00 C ATOM 454 O GLU A 30 6.047 12.005 -0.781 1.00 0.00 O ATOM 455 CB GLU A 30 6.811 15.166 -0.034 1.00 0.00 C ATOM 456 CG GLU A 30 7.381 14.667 1.284 1.00 0.00 C ATOM 457 CD GLU A 30 6.305 14.203 2.247 1.00 0.00 C ATOM 458 OE1 GLU A 30 5.377 14.992 2.522 1.00 0.00 O ATOM 459 OE2 GLU A 30 6.392 13.053 2.724 1.00 0.00 O ATOM 0 H GLU A 30 6.904 15.901 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 30 7.933 13.651 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.293 16.108 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.749 15.376 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.069 13.844 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.961 15.464 1.750 1.00 0.00 H new ATOM 466 N LYS A 31 4.673 13.584 -1.608 1.00 0.00 N ATOM 467 CA LYS A 31 3.508 12.707 -1.647 1.00 0.00 C ATOM 468 C LYS A 31 3.731 11.550 -2.616 1.00 0.00 C ATOM 469 O LYS A 31 3.364 10.410 -2.332 1.00 0.00 O ATOM 470 CB LYS A 31 2.263 13.496 -2.055 1.00 0.00 C ATOM 471 CG LYS A 31 1.443 13.992 -0.877 1.00 0.00 C ATOM 472 CD LYS A 31 0.515 15.125 -1.280 1.00 0.00 C ATOM 473 CE LYS A 31 -0.681 15.226 -0.345 1.00 0.00 C ATOM 474 NZ LYS A 31 -1.967 15.020 -1.067 1.00 0.00 N ATOM 0 H LYS A 31 4.497 14.533 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 31 3.359 12.298 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.567 14.350 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.634 12.866 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.857 13.169 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.111 14.332 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.064 16.066 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.168 14.966 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.586 14.484 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.686 16.205 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.758 15.096 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.070 15.744 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.973 14.076 -1.503 1.00 0.00 H new ATOM 488 N ALA A 32 4.335 11.851 -3.761 1.00 0.00 N ATOM 489 CA ALA A 32 4.608 10.836 -4.770 1.00 0.00 C ATOM 490 C ALA A 32 5.559 9.771 -4.234 1.00 0.00 C ATOM 491 O ALA A 32 5.366 8.577 -4.465 1.00 0.00 O ATOM 492 CB ALA A 32 5.185 11.478 -6.023 1.00 0.00 C ATOM 0 H ALA A 32 4.644 12.790 -4.013 1.00 0.00 H new ATOM 0 HA ALA A 32 3.666 10.350 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.384 10.708 -6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.471 12.196 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.114 11.991 -5.774 1.00 0.00 H new ATOM 498 N LYS A 33 6.589 10.211 -3.518 1.00 0.00 N ATOM 499 CA LYS A 33 7.570 9.296 -2.947 1.00 0.00 C ATOM 500 C LYS A 33 6.948 8.449 -1.843 1.00 0.00 C ATOM 501 O LYS A 33 7.202 7.248 -1.752 1.00 0.00 O ATOM 502 CB LYS A 33 8.764 10.078 -2.393 1.00 0.00 C ATOM 503 CG LYS A 33 10.101 9.632 -2.961 1.00 0.00 C ATOM 504 CD LYS A 33 10.791 8.636 -2.046 1.00 0.00 C ATOM 505 CE LYS A 33 12.295 8.618 -2.273 1.00 0.00 C ATOM 506 NZ LYS A 33 12.648 8.052 -3.603 1.00 0.00 N ATOM 0 H LYS A 33 6.766 11.196 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 33 7.914 8.631 -3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.624 11.138 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.786 9.971 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.949 9.181 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.744 10.500 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.582 8.890 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.384 7.640 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.686 9.632 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.774 8.030 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.681 8.057 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.297 7.075 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.213 8.628 -4.352 1.00 0.00 H new ATOM 520 N GLU A 34 6.130 9.081 -1.008 1.00 0.00 N ATOM 521 CA GLU A 34 5.471 8.383 0.090 1.00 0.00 C ATOM 522 C GLU A 34 4.537 7.297 -0.438 1.00 0.00 C ATOM 523 O GLU A 34 4.563 6.159 0.032 1.00 0.00 O ATOM 524 CB GLU A 34 4.683 9.371 0.953 1.00 0.00 C ATOM 525 CG GLU A 34 4.507 8.917 2.392 1.00 0.00 C ATOM 526 CD GLU A 34 3.884 9.985 3.269 1.00 0.00 C ATOM 527 OE1 GLU A 34 4.537 11.026 3.490 1.00 0.00 O ATOM 528 OE2 GLU A 34 2.744 9.780 3.735 1.00 0.00 O ATOM 0 H GLU A 34 5.908 10.075 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 34 6.241 7.912 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.193 10.334 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.701 9.526 0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.882 8.024 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.477 8.636 2.802 1.00 0.00 H new ATOM 535 N ILE A 35 3.714 7.657 -1.418 1.00 0.00 N ATOM 536 CA ILE A 35 2.773 6.714 -2.009 1.00 0.00 C ATOM 537 C ILE A 35 3.500 5.661 -2.839 1.00 0.00 C ATOM 538 O ILE A 35 3.077 4.507 -2.903 1.00 0.00 O ATOM 539 CB ILE A 35 1.743 7.433 -2.901 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.979 8.482 -2.090 1.00 0.00 C ATOM 541 CG2 ILE A 35 0.781 6.426 -3.515 1.00 0.00 C ATOM 542 CD1 ILE A 35 0.231 9.479 -2.948 1.00 0.00 C ATOM 0 H ILE A 35 3.680 8.594 -1.819 1.00 0.00 H new ATOM 0 HA ILE A 35 2.252 6.228 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 35 2.272 7.940 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.271 7.977 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.681 9.018 -1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.059 6.948 -4.143 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.339 5.712 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.255 5.895 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.288 10.193 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.936 10.010 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.495 8.953 -3.568 1.00 0.00 H new ATOM 554 N GLN A 36 4.597 6.066 -3.470 1.00 0.00 N ATOM 555 CA GLN A 36 5.383 5.156 -4.295 1.00 0.00 C ATOM 556 C GLN A 36 6.109 4.129 -3.433 1.00 0.00 C ATOM 557 O GLN A 36 6.087 2.932 -3.722 1.00 0.00 O ATOM 558 CB GLN A 36 6.393 5.939 -5.136 1.00 0.00 C ATOM 559 CG GLN A 36 7.261 5.059 -6.021 1.00 0.00 C ATOM 560 CD GLN A 36 7.947 5.838 -7.125 1.00 0.00 C ATOM 561 OE1 GLN A 36 7.306 6.589 -7.861 1.00 0.00 O ATOM 562 NE2 GLN A 36 9.258 5.663 -7.248 1.00 0.00 N ATOM 0 H GLN A 36 4.962 7.018 -3.426 1.00 0.00 H new ATOM 0 HA GLN A 36 4.700 4.627 -4.960 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.857 6.652 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.035 6.518 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.015 4.565 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.646 4.275 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.750 5.031 -6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.773 6.161 -7.974 1.00 0.00 H new ATOM 571 N LEU A 37 6.752 4.605 -2.372 1.00 0.00 N ATOM 572 CA LEU A 37 7.486 3.728 -1.465 1.00 0.00 C ATOM 573 C LEU A 37 6.529 2.871 -0.643 1.00 0.00 C ATOM 574 O LEU A 37 6.836 1.726 -0.308 1.00 0.00 O ATOM 575 CB LEU A 37 8.378 4.553 -0.536 1.00 0.00 C ATOM 576 CG LEU A 37 7.693 5.151 0.694 1.00 0.00 C ATOM 577 CD1 LEU A 37 7.741 4.175 1.859 1.00 0.00 C ATOM 578 CD2 LEU A 37 8.341 6.473 1.075 1.00 0.00 C ATOM 0 H LEU A 37 6.780 5.593 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 37 8.111 3.067 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.200 3.922 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.817 5.366 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 37 6.648 5.340 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.249 4.618 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.229 3.253 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.779 3.954 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.841 6.884 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.395 6.310 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.253 7.174 0.245 1.00 0.00 H new ATOM 590 N LYS A 38 5.368 3.431 -0.323 1.00 0.00 N ATOM 591 CA LYS A 38 4.363 2.718 0.457 1.00 0.00 C ATOM 592 C LYS A 38 3.735 1.595 -0.361 1.00 0.00 C ATOM 593 O LYS A 38 3.611 0.465 0.110 1.00 0.00 O ATOM 594 CB LYS A 38 3.278 3.685 0.934 1.00 0.00 C ATOM 595 CG LYS A 38 3.651 4.446 2.195 1.00 0.00 C ATOM 596 CD LYS A 38 2.816 3.999 3.383 1.00 0.00 C ATOM 597 CE LYS A 38 1.430 4.626 3.359 1.00 0.00 C ATOM 598 NZ LYS A 38 1.117 5.327 4.634 1.00 0.00 N ATOM 0 H LYS A 38 5.099 4.377 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 38 4.856 2.279 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.065 4.399 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.360 3.126 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.708 4.294 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.510 5.514 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.725 2.913 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.323 4.271 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.365 5.332 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.684 3.852 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.164 5.741 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.154 4.649 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.813 6.082 4.795 1.00 0.00 H new ATOM 612 N ALA A 39 3.342 1.913 -1.590 1.00 0.00 N ATOM 613 CA ALA A 39 2.730 0.930 -2.476 1.00 0.00 C ATOM 614 C ALA A 39 3.734 -0.145 -2.879 1.00 0.00 C ATOM 615 O ALA A 39 3.414 -1.333 -2.887 1.00 0.00 O ATOM 616 CB ALA A 39 2.160 1.613 -3.709 1.00 0.00 C ATOM 0 H ALA A 39 3.437 2.844 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 39 1.917 0.446 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.706 0.867 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.404 2.338 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.960 2.124 -4.244 1.00 0.00 H new ATOM 622 N ASP A 40 4.947 0.281 -3.213 1.00 0.00 N ATOM 623 CA ASP A 40 5.997 -0.646 -3.618 1.00 0.00 C ATOM 624 C ASP A 40 6.393 -1.558 -2.461 1.00 0.00 C ATOM 625 O ASP A 40 6.575 -2.762 -2.641 1.00 0.00 O ATOM 626 CB ASP A 40 7.221 0.123 -4.119 1.00 0.00 C ATOM 627 CG ASP A 40 7.032 0.661 -5.523 1.00 0.00 C ATOM 628 OD1 ASP A 40 6.419 -0.046 -6.352 1.00 0.00 O ATOM 629 OD2 ASP A 40 7.495 1.787 -5.795 1.00 0.00 O ATOM 0 H ASP A 40 5.227 1.262 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 40 5.609 -1.264 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.429 0.951 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.092 -0.532 -4.098 1.00 0.00 H new ATOM 634 N GLN A 41 6.526 -0.975 -1.274 1.00 0.00 N ATOM 635 CA GLN A 41 6.903 -1.735 -0.088 1.00 0.00 C ATOM 636 C GLN A 41 5.823 -2.750 0.274 1.00 0.00 C ATOM 637 O GLN A 41 6.120 -3.906 0.571 1.00 0.00 O ATOM 638 CB GLN A 41 7.148 -0.793 1.091 1.00 0.00 C ATOM 639 CG GLN A 41 7.614 -1.503 2.352 1.00 0.00 C ATOM 640 CD GLN A 41 8.176 -0.548 3.387 1.00 0.00 C ATOM 641 OE1 GLN A 41 7.683 0.569 3.551 1.00 0.00 O ATOM 642 NE2 GLN A 41 9.214 -0.983 4.091 1.00 0.00 N ATOM 0 H GLN A 41 6.378 0.021 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 41 7.824 -2.274 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.895 -0.052 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.228 -0.250 1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.778 -2.051 2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.375 -2.238 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.590 -1.916 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.635 -0.384 4.801 1.00 0.00 H new ATOM 651 N GLU A 42 4.569 -2.309 0.245 1.00 0.00 N ATOM 652 CA GLU A 42 3.446 -3.180 0.572 1.00 0.00 C ATOM 653 C GLU A 42 3.281 -4.271 -0.481 1.00 0.00 C ATOM 654 O GLU A 42 2.889 -5.396 -0.169 1.00 0.00 O ATOM 655 CB GLU A 42 2.156 -2.365 0.683 1.00 0.00 C ATOM 656 CG GLU A 42 2.054 -1.560 1.969 1.00 0.00 C ATOM 657 CD GLU A 42 2.200 -2.421 3.209 1.00 0.00 C ATOM 658 OE1 GLU A 42 1.684 -3.558 3.205 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.829 -1.957 4.183 1.00 0.00 O ATOM 0 H GLU A 42 4.306 -1.355 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 42 3.653 -3.653 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.091 -1.686 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.303 -3.040 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.825 -0.790 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.092 -1.048 1.998 1.00 0.00 H new ATOM 666 N TYR A 43 3.581 -3.931 -1.730 1.00 0.00 N ATOM 667 CA TYR A 43 3.463 -4.880 -2.831 1.00 0.00 C ATOM 668 C TYR A 43 4.542 -5.956 -2.740 1.00 0.00 C ATOM 669 O TYR A 43 4.284 -7.131 -2.998 1.00 0.00 O ATOM 670 CB TYR A 43 3.563 -4.154 -4.172 1.00 0.00 C ATOM 671 CG TYR A 43 2.222 -3.761 -4.749 1.00 0.00 C ATOM 672 CD1 TYR A 43 1.235 -3.201 -3.949 1.00 0.00 C ATOM 673 CD2 TYR A 43 1.942 -3.950 -6.098 1.00 0.00 C ATOM 674 CE1 TYR A 43 0.008 -2.842 -4.472 1.00 0.00 C ATOM 675 CE2 TYR A 43 0.719 -3.592 -6.631 1.00 0.00 C ATOM 676 CZ TYR A 43 -0.245 -3.039 -5.813 1.00 0.00 C ATOM 677 OH TYR A 43 -1.465 -2.682 -6.339 1.00 0.00 O ATOM 0 H TYR A 43 3.908 -3.005 -2.005 1.00 0.00 H new ATOM 0 HA TYR A 43 2.488 -5.361 -2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.172 -3.258 -4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.082 -4.795 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.430 -3.043 -2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.694 -4.384 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.749 -2.410 -3.834 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.519 -3.744 -7.681 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.480 -2.886 -7.297 1.00 0.00 H new ATOM 687 N GLU A 44 5.750 -5.543 -2.371 1.00 0.00 N ATOM 688 CA GLU A 44 6.868 -6.471 -2.245 1.00 0.00 C ATOM 689 C GLU A 44 6.658 -7.422 -1.071 1.00 0.00 C ATOM 690 O GLU A 44 6.822 -8.635 -1.203 1.00 0.00 O ATOM 691 CB GLU A 44 8.180 -5.703 -2.067 1.00 0.00 C ATOM 692 CG GLU A 44 9.388 -6.419 -2.645 1.00 0.00 C ATOM 693 CD GLU A 44 10.523 -6.546 -1.647 1.00 0.00 C ATOM 694 OE1 GLU A 44 10.553 -7.553 -0.909 1.00 0.00 O ATOM 695 OE2 GLU A 44 11.381 -5.641 -1.606 1.00 0.00 O ATOM 0 H GLU A 44 5.980 -4.573 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 44 6.922 -7.060 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.086 -4.726 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.347 -5.527 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.091 -7.413 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.740 -5.878 -3.524 1.00 0.00 H new ATOM 702 N ILE A 45 6.295 -6.861 0.078 1.00 0.00 N ATOM 703 CA ILE A 45 6.062 -7.658 1.276 1.00 0.00 C ATOM 704 C ILE A 45 4.870 -8.592 1.093 1.00 0.00 C ATOM 705 O ILE A 45 4.932 -9.769 1.446 1.00 0.00 O ATOM 706 CB ILE A 45 5.816 -6.765 2.506 1.00 0.00 C ATOM 707 CG1 ILE A 45 7.047 -5.903 2.794 1.00 0.00 C ATOM 708 CG2 ILE A 45 5.465 -7.618 3.718 1.00 0.00 C ATOM 709 CD1 ILE A 45 8.264 -6.705 3.200 1.00 0.00 C ATOM 0 H ILE A 45 6.156 -5.858 0.204 1.00 0.00 H new ATOM 0 HA ILE A 45 6.962 -8.250 1.441 1.00 0.00 H new ATOM 0 HB ILE A 45 4.975 -6.104 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.287 -5.318 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.807 -5.195 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.294 -6.973 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.562 -8.192 3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.287 -8.300 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.099 -6.030 3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.042 -7.269 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.529 -7.395 2.399 1.00 0.00 H new ATOM 721 N GLU A 46 3.788 -8.057 0.536 1.00 0.00 N ATOM 722 CA GLU A 46 2.582 -8.844 0.305 1.00 0.00 C ATOM 723 C GLU A 46 2.857 -9.989 -0.665 1.00 0.00 C ATOM 724 O GLU A 46 2.483 -11.136 -0.413 1.00 0.00 O ATOM 725 CB GLU A 46 1.464 -7.955 -0.244 1.00 0.00 C ATOM 726 CG GLU A 46 0.776 -7.115 0.819 1.00 0.00 C ATOM 727 CD GLU A 46 -0.231 -6.145 0.234 1.00 0.00 C ATOM 728 OE1 GLU A 46 -0.883 -6.499 -0.771 1.00 0.00 O ATOM 729 OE2 GLU A 46 -0.368 -5.031 0.782 1.00 0.00 O ATOM 0 H GLU A 46 3.722 -7.084 0.237 1.00 0.00 H new ATOM 0 HA GLU A 46 2.266 -9.266 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.878 -7.294 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.721 -8.583 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.272 -7.773 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.527 -6.559 1.380 1.00 0.00 H new ATOM 736 N LYS A 47 3.515 -9.673 -1.775 1.00 0.00 N ATOM 737 CA LYS A 47 3.842 -10.674 -2.783 1.00 0.00 C ATOM 738 C LYS A 47 4.719 -11.774 -2.192 1.00 0.00 C ATOM 739 O LYS A 47 4.457 -12.962 -2.387 1.00 0.00 O ATOM 740 CB LYS A 47 4.557 -10.020 -3.967 1.00 0.00 C ATOM 741 CG LYS A 47 5.027 -11.011 -5.018 1.00 0.00 C ATOM 742 CD LYS A 47 5.569 -10.305 -6.249 1.00 0.00 C ATOM 743 CE LYS A 47 5.495 -11.195 -7.480 1.00 0.00 C ATOM 744 NZ LYS A 47 5.251 -10.407 -8.720 1.00 0.00 N ATOM 0 H LYS A 47 3.833 -8.730 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 47 2.911 -11.122 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.885 -9.300 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.416 -9.461 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.801 -11.651 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.199 -11.659 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.002 -9.391 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.603 -10.009 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.426 -11.753 -7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.697 -11.927 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.207 -11.049 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.350 -9.894 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.025 -9.726 -8.857 1.00 0.00 H new ATOM 758 N THR A 48 5.759 -11.373 -1.468 1.00 0.00 N ATOM 759 CA THR A 48 6.673 -12.324 -0.849 1.00 0.00 C ATOM 760 C THR A 48 5.962 -13.160 0.208 1.00 0.00 C ATOM 761 O THR A 48 6.281 -14.333 0.404 1.00 0.00 O ATOM 762 CB THR A 48 7.873 -11.610 -0.201 1.00 0.00 C ATOM 763 OG1 THR A 48 8.442 -10.673 -1.123 1.00 0.00 O ATOM 764 CG2 THR A 48 8.933 -12.613 0.229 1.00 0.00 C ATOM 0 H THR A 48 5.989 -10.394 -1.296 1.00 0.00 H new ATOM 0 HA THR A 48 7.035 -12.977 -1.643 1.00 0.00 H new ATOM 0 HB THR A 48 7.518 -11.080 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.986 -9.810 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.771 -12.084 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.505 -13.307 0.953 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.284 -13.168 -0.641 1.00 0.00 H new ATOM 772 N ASN A 49 4.996 -12.551 0.887 1.00 0.00 N ATOM 773 CA ASN A 49 4.239 -13.241 1.925 1.00 0.00 C ATOM 774 C ASN A 49 3.387 -14.356 1.327 1.00 0.00 C ATOM 775 O ASN A 49 3.422 -15.495 1.795 1.00 0.00 O ATOM 776 CB ASN A 49 3.348 -12.252 2.679 1.00 0.00 C ATOM 777 CG ASN A 49 2.913 -12.779 4.033 1.00 0.00 C ATOM 778 OD1 ASN A 49 3.681 -12.758 4.995 1.00 0.00 O ATOM 779 ND2 ASN A 49 1.677 -13.257 4.112 1.00 0.00 N ATOM 0 H ASN A 49 4.719 -11.581 0.737 1.00 0.00 H new ATOM 0 HA ASN A 49 4.949 -13.685 2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.885 -11.313 2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.466 -12.031 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.329 -13.627 4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.076 -13.254 3.288 1.00 0.00 H new ATOM 786 N ILE A 50 2.624 -14.021 0.293 1.00 0.00 N ATOM 787 CA ILE A 50 1.765 -14.994 -0.370 1.00 0.00 C ATOM 788 C ILE A 50 2.587 -16.108 -1.009 1.00 0.00 C ATOM 789 O ILE A 50 2.259 -17.288 -0.883 1.00 0.00 O ATOM 790 CB ILE A 50 0.892 -14.331 -1.451 1.00 0.00 C ATOM 791 CG1 ILE A 50 0.021 -13.236 -0.833 1.00 0.00 C ATOM 792 CG2 ILE A 50 0.029 -15.372 -2.147 1.00 0.00 C ATOM 793 CD1 ILE A 50 -0.988 -13.758 0.166 1.00 0.00 C ATOM 0 H ILE A 50 2.583 -13.082 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 50 1.118 -15.418 0.398 1.00 0.00 H new ATOM 0 HB ILE A 50 1.545 -13.873 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.664 -12.506 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.506 -12.710 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.582 -14.888 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.668 -16.120 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.618 -15.856 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.570 -12.927 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.655 -14.465 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.467 -14.259 0.982 1.00 0.00 H new ATOM 805 N VAL A 51 3.660 -15.726 -1.695 1.00 0.00 N ATOM 806 CA VAL A 51 4.532 -16.692 -2.351 1.00 0.00 C ATOM 807 C VAL A 51 5.227 -17.588 -1.332 1.00 0.00 C ATOM 808 O VAL A 51 5.289 -18.805 -1.501 1.00 0.00 O ATOM 809 CB VAL A 51 5.599 -15.990 -3.212 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.523 -17.013 -3.857 1.00 0.00 C ATOM 811 CG2 VAL A 51 4.941 -15.114 -4.267 1.00 0.00 C ATOM 0 H VAL A 51 3.946 -14.754 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 51 3.899 -17.303 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 51 6.199 -15.350 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.270 -16.498 -4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.021 -17.594 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.940 -17.681 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.710 -14.626 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.315 -15.730 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.326 -14.357 -3.780 1.00 0.00 H new ATOM 821 N ARG A 52 5.746 -16.976 -0.272 1.00 0.00 N ATOM 822 CA ARG A 52 6.437 -17.719 0.776 1.00 0.00 C ATOM 823 C ARG A 52 5.491 -18.702 1.459 1.00 0.00 C ATOM 824 O ARG A 52 5.821 -19.873 1.639 1.00 0.00 O ATOM 825 CB ARG A 52 7.023 -16.756 1.810 1.00 0.00 C ATOM 826 CG ARG A 52 7.751 -17.454 2.947 1.00 0.00 C ATOM 827 CD ARG A 52 8.556 -16.469 3.781 1.00 0.00 C ATOM 828 NE ARG A 52 8.733 -16.933 5.155 1.00 0.00 N ATOM 829 CZ ARG A 52 9.244 -16.181 6.123 1.00 0.00 C ATOM 830 NH1 ARG A 52 9.625 -14.936 5.870 1.00 0.00 N ATOM 831 NH2 ARG A 52 9.375 -16.673 7.349 1.00 0.00 N ATOM 0 H ARG A 52 5.701 -15.969 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 52 7.247 -18.283 0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.713 -16.076 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.219 -16.147 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.029 -17.966 3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.415 -18.217 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.532 -16.317 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.053 -15.502 3.787 1.00 0.00 H new ATOM 0 HE ARG A 52 8.449 -17.886 5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.526 -14.553 4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.017 -14.361 6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.083 -17.630 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.768 -16.094 8.092 1.00 0.00 H new ATOM 845 N ASN A 53 4.313 -18.216 1.838 1.00 0.00 N ATOM 846 CA ASN A 53 3.319 -19.052 2.503 1.00 0.00 C ATOM 847 C ASN A 53 2.913 -20.224 1.615 1.00 0.00 C ATOM 848 O ASN A 53 2.852 -21.366 2.070 1.00 0.00 O ATOM 849 CB ASN A 53 2.086 -18.222 2.866 1.00 0.00 C ATOM 850 CG ASN A 53 0.936 -19.080 3.358 1.00 0.00 C ATOM 851 OD1 ASN A 53 0.317 -19.810 2.584 1.00 0.00 O ATOM 852 ND2 ASN A 53 0.647 -18.996 4.652 1.00 0.00 N ATOM 0 H ASN A 53 4.023 -17.248 1.696 1.00 0.00 H new ATOM 0 HA ASN A 53 3.765 -19.448 3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.352 -17.499 3.637 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.764 -17.653 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.115 -19.551 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.188 -18.377 5.256 1.00 0.00 H new ATOM 859 N GLU A 54 2.639 -19.933 0.347 1.00 0.00 N ATOM 860 CA GLU A 54 2.239 -20.964 -0.603 1.00 0.00 C ATOM 861 C GLU A 54 3.316 -22.038 -0.726 1.00 0.00 C ATOM 862 O GLU A 54 3.026 -23.235 -0.669 1.00 0.00 O ATOM 863 CB GLU A 54 1.963 -20.345 -1.975 1.00 0.00 C ATOM 864 CG GLU A 54 0.522 -19.902 -2.163 1.00 0.00 C ATOM 865 CD GLU A 54 -0.090 -20.436 -3.444 1.00 0.00 C ATOM 866 OE1 GLU A 54 0.558 -20.316 -4.505 1.00 0.00 O ATOM 867 OE2 GLU A 54 -1.215 -20.973 -3.385 1.00 0.00 O ATOM 0 H GLU A 54 2.687 -18.993 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 54 1.326 -21.430 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.620 -19.486 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.216 -21.070 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.072 -20.239 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.479 -18.813 -2.170 1.00 0.00 H new ATOM 874 N THR A 55 4.561 -21.604 -0.894 1.00 0.00 N ATOM 875 CA THR A 55 5.682 -22.526 -1.027 1.00 0.00 C ATOM 876 C THR A 55 5.811 -23.414 0.206 1.00 0.00 C ATOM 877 O THR A 55 6.011 -24.623 0.094 1.00 0.00 O ATOM 878 CB THR A 55 7.007 -21.773 -1.243 1.00 0.00 C ATOM 879 OG1 THR A 55 6.837 -20.758 -2.240 1.00 0.00 O ATOM 880 CG2 THR A 55 8.110 -22.729 -1.670 1.00 0.00 C ATOM 0 H THR A 55 4.819 -20.618 -0.941 1.00 0.00 H new ATOM 0 HA THR A 55 5.479 -23.146 -1.900 1.00 0.00 H new ATOM 0 HB THR A 55 7.294 -21.311 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.512 -19.936 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.036 -22.174 -1.817 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.257 -23.483 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.828 -23.217 -2.603 1.00 0.00 H new ATOM 888 N ASN A 56 5.696 -22.807 1.382 1.00 0.00 N ATOM 889 CA ASN A 56 5.801 -23.543 2.637 1.00 0.00 C ATOM 890 C ASN A 56 4.593 -24.456 2.834 1.00 0.00 C ATOM 891 O ASN A 56 4.683 -25.484 3.503 1.00 0.00 O ATOM 892 CB ASN A 56 5.918 -22.573 3.814 1.00 0.00 C ATOM 893 CG ASN A 56 5.668 -23.250 5.148 1.00 0.00 C ATOM 894 OD1 ASN A 56 6.386 -24.172 5.533 1.00 0.00 O ATOM 895 ND2 ASN A 56 4.645 -22.793 5.861 1.00 0.00 N ATOM 0 H ASN A 56 5.530 -21.807 1.493 1.00 0.00 H new ATOM 0 HA ASN A 56 6.699 -24.160 2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.913 -22.127 3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.205 -21.759 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.428 -23.209 6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.076 -22.026 5.503 1.00 0.00 H new ATOM 902 N ASN A 57 3.466 -24.072 2.244 1.00 0.00 N ATOM 903 CA ASN A 57 2.241 -24.855 2.355 1.00 0.00 C ATOM 904 C ASN A 57 2.354 -26.157 1.566 1.00 0.00 C ATOM 905 O ASN A 57 2.161 -27.243 2.113 1.00 0.00 O ATOM 906 CB ASN A 57 1.045 -24.044 1.852 1.00 0.00 C ATOM 907 CG ASN A 57 -0.159 -24.916 1.551 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.777 -25.474 2.457 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.498 -25.035 0.273 1.00 0.00 N ATOM 0 H ASN A 57 3.376 -23.224 1.684 1.00 0.00 H new ATOM 0 HA ASN A 57 2.090 -25.099 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.773 -23.300 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.331 -23.500 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.300 -25.607 0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.044 -24.554 -0.445 1.00 0.00 H new ATOM 916 N ILE A 58 2.668 -26.038 0.282 1.00 0.00 N ATOM 917 CA ILE A 58 2.810 -27.205 -0.582 1.00 0.00 C ATOM 918 C ILE A 58 4.024 -28.038 -0.184 1.00 0.00 C ATOM 919 O ILE A 58 3.998 -29.266 -0.263 1.00 0.00 O ATOM 920 CB ILE A 58 2.942 -26.798 -2.061 1.00 0.00 C ATOM 921 CG1 ILE A 58 4.160 -25.893 -2.256 1.00 0.00 C ATOM 922 CG2 ILE A 58 1.676 -26.100 -2.533 1.00 0.00 C ATOM 923 CD1 ILE A 58 5.401 -26.637 -2.699 1.00 0.00 C ATOM 0 H ILE A 58 2.829 -25.146 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 58 1.906 -27.802 -0.458 1.00 0.00 H new ATOM 0 HB ILE A 58 3.082 -27.698 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.920 -25.129 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.371 -25.375 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.785 -25.818 -3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.827 -26.775 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.508 -25.206 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.225 -25.933 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.666 -27.382 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.208 -27.133 -3.650 1.00 0.00 H new ATOM 935 N ASP A 59 5.085 -27.362 0.243 1.00 0.00 N ATOM 936 CA ASP A 59 6.308 -28.040 0.656 1.00 0.00 C ATOM 937 C ASP A 59 6.086 -28.822 1.947 1.00 0.00 C ATOM 938 O ASP A 59 6.539 -29.958 2.081 1.00 0.00 O ATOM 939 CB ASP A 59 7.438 -27.028 0.845 1.00 0.00 C ATOM 940 CG ASP A 59 7.988 -26.521 -0.474 1.00 0.00 C ATOM 941 OD1 ASP A 59 7.945 -27.278 -1.466 1.00 0.00 O ATOM 942 OD2 ASP A 59 8.459 -25.365 -0.514 1.00 0.00 O ATOM 0 H ASP A 59 5.123 -26.345 0.312 1.00 0.00 H new ATOM 0 HA ASP A 59 6.588 -28.742 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.072 -26.185 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.243 -27.489 1.418 1.00 0.00 H new ATOM 947 N GLY A 60 5.390 -28.204 2.895 1.00 0.00 N ATOM 948 CA GLY A 60 5.122 -28.856 4.163 1.00 0.00 C ATOM 949 C GLY A 60 4.137 -30.001 4.030 1.00 0.00 C ATOM 950 O GLY A 60 4.307 -31.050 4.650 1.00 0.00 O ATOM 0 H GLY A 60 5.007 -27.263 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.057 -29.232 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.730 -28.124 4.869 1.00 0.00 H new ATOM 954 N ASN A 61 3.103 -29.797 3.221 1.00 0.00 N ATOM 955 CA ASN A 61 2.085 -30.821 3.010 1.00 0.00 C ATOM 956 C ASN A 61 2.665 -32.019 2.266 1.00 0.00 C ATOM 957 O ASN A 61 2.455 -33.168 2.658 1.00 0.00 O ATOM 958 CB ASN A 61 0.904 -30.242 2.228 1.00 0.00 C ATOM 959 CG ASN A 61 -0.243 -31.226 2.101 1.00 0.00 C ATOM 960 OD1 ASN A 61 -0.128 -32.385 2.498 1.00 0.00 O ATOM 961 ND2 ASN A 61 -1.357 -30.765 1.544 1.00 0.00 N ATOM 0 H ASN A 61 2.947 -28.933 2.701 1.00 0.00 H new ATOM 0 HA ASN A 61 1.735 -31.157 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.551 -29.338 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.239 -29.948 1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.163 -31.380 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.407 -29.796 1.229 1.00 0.00 H new ATOM 968 N PHE A 62 3.396 -31.745 1.191 1.00 0.00 N ATOM 969 CA PHE A 62 4.007 -32.800 0.391 1.00 0.00 C ATOM 970 C PHE A 62 5.069 -33.545 1.194 1.00 0.00 C ATOM 971 O PHE A 62 5.128 -34.774 1.177 1.00 0.00 O ATOM 972 CB PHE A 62 4.628 -32.213 -0.877 1.00 0.00 C ATOM 973 CG PHE A 62 3.637 -31.993 -1.984 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.498 -31.234 -1.771 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.845 -32.544 -3.238 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.583 -31.031 -2.788 1.00 0.00 C ATOM 977 CE2 PHE A 62 2.935 -32.344 -4.259 1.00 0.00 C ATOM 978 CZ PHE A 62 1.803 -31.585 -4.033 1.00 0.00 C ATOM 0 H PHE A 62 3.580 -30.800 0.853 1.00 0.00 H new ATOM 0 HA PHE A 62 3.227 -33.507 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.104 -31.263 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.413 -32.882 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.322 -30.796 -0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.729 -33.137 -3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.697 -30.440 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.109 -32.780 -5.232 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.091 -31.425 -4.829 1.00 0.00 H new ATOM 988 N LYS A 63 5.908 -32.792 1.896 1.00 0.00 N ATOM 989 CA LYS A 63 6.969 -33.377 2.706 1.00 0.00 C ATOM 990 C LYS A 63 6.391 -34.277 3.793 1.00 0.00 C ATOM 991 O LYS A 63 6.844 -35.405 3.986 1.00 0.00 O ATOM 992 CB LYS A 63 7.822 -32.277 3.341 1.00 0.00 C ATOM 993 CG LYS A 63 8.849 -31.681 2.393 1.00 0.00 C ATOM 994 CD LYS A 63 10.212 -32.329 2.568 1.00 0.00 C ATOM 995 CE LYS A 63 10.912 -31.826 3.821 1.00 0.00 C ATOM 996 NZ LYS A 63 11.195 -32.930 4.780 1.00 0.00 N ATOM 0 H LYS A 63 5.873 -31.773 1.920 1.00 0.00 H new ATOM 0 HA LYS A 63 7.597 -33.983 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.167 -31.483 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.336 -32.684 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.513 -31.810 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.930 -30.609 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.097 -33.411 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.831 -32.119 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.846 -31.338 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.291 -31.073 4.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.672 -32.546 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.302 -33.380 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.809 -33.636 4.325 1.00 0.00 H new ATOM 1010 N SER A 64 5.383 -33.771 4.500 1.00 0.00 N ATOM 1011 CA SER A 64 4.744 -34.528 5.569 1.00 0.00 C ATOM 1012 C SER A 64 4.076 -35.786 5.020 1.00 0.00 C ATOM 1013 O SER A 64 4.321 -36.893 5.501 1.00 0.00 O ATOM 1014 CB SER A 64 3.709 -33.660 6.288 1.00 0.00 C ATOM 1015 OG SER A 64 3.071 -34.383 7.326 1.00 0.00 O ATOM 0 H SER A 64 4.993 -32.841 4.351 1.00 0.00 H new ATOM 0 HA SER A 64 5.514 -34.827 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.195 -32.776 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.964 -33.309 5.574 1.00 0.00 H new ATOM 0 HG SER A 64 2.415 -33.806 7.771 1.00 0.00 H new ATOM 1021 N LYS A 65 3.233 -35.607 4.009 1.00 0.00 N ATOM 1022 CA LYS A 65 2.530 -36.726 3.392 1.00 0.00 C ATOM 1023 C LYS A 65 3.514 -37.785 2.906 1.00 0.00 C ATOM 1024 O LYS A 65 3.284 -38.983 3.073 1.00 0.00 O ATOM 1025 CB LYS A 65 1.675 -36.234 2.223 1.00 0.00 C ATOM 1026 CG LYS A 65 0.542 -37.179 1.857 1.00 0.00 C ATOM 1027 CD LYS A 65 -0.474 -36.507 0.949 1.00 0.00 C ATOM 1028 CE LYS A 65 -1.457 -37.514 0.372 1.00 0.00 C ATOM 1029 NZ LYS A 65 -2.485 -36.858 -0.482 1.00 0.00 N ATOM 0 H LYS A 65 3.020 -34.698 3.599 1.00 0.00 H new ATOM 0 HA LYS A 65 1.882 -37.176 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.257 -35.259 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.314 -36.091 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.948 -38.060 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.047 -37.524 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.017 -35.746 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.044 -35.996 0.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.915 -38.255 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.948 -38.049 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.136 -37.578 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.019 -36.169 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.019 -36.368 -1.272 1.00 0.00 H new ATOM 1043 N LEU A 66 4.611 -37.336 2.307 1.00 0.00 N ATOM 1044 CA LEU A 66 5.631 -38.247 1.798 1.00 0.00 C ATOM 1045 C LEU A 66 6.279 -39.030 2.935 1.00 0.00 C ATOM 1046 O LEU A 66 6.460 -40.244 2.844 1.00 0.00 O ATOM 1047 CB LEU A 66 6.699 -37.467 1.028 1.00 0.00 C ATOM 1048 CG LEU A 66 7.868 -38.289 0.484 1.00 0.00 C ATOM 1049 CD1 LEU A 66 8.384 -37.691 -0.815 1.00 0.00 C ATOM 1050 CD2 LEU A 66 8.985 -38.373 1.514 1.00 0.00 C ATOM 0 H LEU A 66 4.817 -36.348 2.162 1.00 0.00 H new ATOM 0 HA LEU A 66 5.148 -38.954 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.218 -36.959 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.099 -36.693 1.683 1.00 0.00 H new ATOM 0 HG LEU A 66 7.512 -39.298 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.216 -38.290 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.584 -37.683 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.723 -36.671 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.809 -38.962 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.338 -37.369 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.609 -38.848 2.420 1.00 0.00 H new ATOM 1062 N LYS A 67 6.624 -38.327 4.009 1.00 0.00 N ATOM 1063 CA LYS A 67 7.248 -38.955 5.167 1.00 0.00 C ATOM 1064 C LYS A 67 6.304 -39.965 5.813 1.00 0.00 C ATOM 1065 O LYS A 67 6.719 -41.056 6.203 1.00 0.00 O ATOM 1066 CB LYS A 67 7.655 -37.894 6.192 1.00 0.00 C ATOM 1067 CG LYS A 67 8.460 -38.447 7.354 1.00 0.00 C ATOM 1068 CD LYS A 67 8.038 -37.823 8.674 1.00 0.00 C ATOM 1069 CE LYS A 67 7.188 -38.778 9.495 1.00 0.00 C ATOM 1070 NZ LYS A 67 6.987 -38.286 10.886 1.00 0.00 N ATOM 0 H LYS A 67 6.482 -37.321 4.101 1.00 0.00 H new ATOM 0 HA LYS A 67 8.139 -39.482 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.240 -37.122 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.757 -37.412 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.332 -39.528 7.404 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.520 -38.260 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.923 -37.541 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.477 -36.908 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.219 -38.908 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.665 -39.758 9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.402 -38.965 11.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.910 -38.186 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.509 -37.363 10.862 1.00 0.00 H new ATOM 1084 N LYS A 68 5.034 -39.594 5.922 1.00 0.00 N ATOM 1085 CA LYS A 68 4.029 -40.467 6.517 1.00 0.00 C ATOM 1086 C LYS A 68 3.842 -41.730 5.681 1.00 0.00 C ATOM 1087 O LYS A 68 3.743 -42.832 6.219 1.00 0.00 O ATOM 1088 CB LYS A 68 2.695 -39.728 6.651 1.00 0.00 C ATOM 1089 CG LYS A 68 2.397 -39.263 8.066 1.00 0.00 C ATOM 1090 CD LYS A 68 0.959 -39.557 8.458 1.00 0.00 C ATOM 1091 CE LYS A 68 0.486 -38.636 9.572 1.00 0.00 C ATOM 1092 NZ LYS A 68 -0.496 -37.630 9.080 1.00 0.00 N ATOM 0 H LYS A 68 4.675 -38.693 5.606 1.00 0.00 H new ATOM 0 HA LYS A 68 4.377 -40.757 7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.700 -38.864 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.891 -40.383 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.073 -39.758 8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.585 -38.192 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.312 -39.440 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.874 -40.594 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.032 -39.229 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.343 -38.124 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.794 -37.021 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.055 -37.047 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.326 -38.118 8.687 1.00 0.00 H new ATOM 1106 N ALA A 69 3.794 -41.560 4.364 1.00 0.00 N ATOM 1107 CA ALA A 69 3.621 -42.686 3.455 1.00 0.00 C ATOM 1108 C ALA A 69 4.670 -43.764 3.711 1.00 0.00 C ATOM 1109 O ALA A 69 4.402 -44.955 3.545 1.00 0.00 O ATOM 1110 CB ALA A 69 3.691 -42.213 2.010 1.00 0.00 C ATOM 0 H ALA A 69 3.872 -40.654 3.903 1.00 0.00 H new ATOM 0 HA ALA A 69 2.638 -43.121 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.560 -43.064 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.902 -41.484 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.661 -41.752 1.825 1.00 0.00 H new