USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 33 SER OG : rot -4:sc= 0.573 USER MOD Set 1.2: A 49 THR OG1 : rot -73:sc= 0.107 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.711 K(o=0.43,f=-2.2!) USER MOD Set 2.2: A 19 SER OG : rot -127:sc= 1.14 USER MOD Single : A 9 SER OG : rot 180:sc= -1.58! USER MOD Single : A 10 ASN : amide:sc= -4.51! C(o=-4.5!,f=-5.9!) USER MOD Single : A 16 ASN : amide:sc= -1.31 K(o=-1.3,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.803 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 43 SER OG : rot 71:sc= 0.171 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 14:sc= 0.987 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 1.25 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.673 3.008 -1.492 1.00 0.00 N ATOM 152 CA GLY A 8 101.492 3.923 -1.473 1.00 0.00 C ATOM 153 C GLY A 8 101.517 4.868 -2.686 1.00 0.00 C ATOM 154 O GLY A 8 100.606 5.656 -2.873 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.572 3.338 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.492 4.506 -0.552 1.00 0.00 H new ATOM 158 N SER A 9 102.542 4.804 -3.511 1.00 0.00 N ATOM 159 CA SER A 9 102.593 5.691 -4.717 1.00 0.00 C ATOM 160 C SER A 9 101.867 5.024 -5.889 1.00 0.00 C ATOM 161 O SER A 9 101.783 3.813 -5.965 1.00 0.00 O ATOM 162 CB SER A 9 104.080 5.865 -5.030 1.00 0.00 C ATOM 163 OG SER A 9 104.606 4.644 -5.534 1.00 0.00 O ATOM 0 H SER A 9 103.340 4.178 -3.399 1.00 0.00 H new ATOM 0 HA SER A 9 102.106 6.651 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.218 6.662 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.619 6.162 -4.130 1.00 0.00 H new ATOM 0 HG SER A 9 105.558 4.757 -5.736 1.00 0.00 H new ATOM 169 N ASN A 10 101.345 5.807 -6.801 1.00 0.00 N ATOM 170 CA ASN A 10 100.650 5.223 -7.989 1.00 0.00 C ATOM 171 C ASN A 10 101.610 5.167 -9.178 1.00 0.00 C ATOM 172 O ASN A 10 102.046 6.186 -9.686 1.00 0.00 O ATOM 173 CB ASN A 10 99.491 6.176 -8.288 1.00 0.00 C ATOM 174 CG ASN A 10 98.491 6.157 -7.130 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.836 6.476 -6.010 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.257 5.797 -7.355 1.00 0.00 N ATOM 0 H ASN A 10 101.370 6.826 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 10 100.301 4.207 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.869 7.187 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 10 98.996 5.881 -9.213 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.582 5.784 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.967 5.529 -8.296 1.00 0.00 H new ATOM 183 N VAL A 11 101.939 3.982 -9.621 1.00 0.00 N ATOM 184 CA VAL A 11 102.835 3.834 -10.810 1.00 0.00 C ATOM 185 C VAL A 11 102.192 2.888 -11.825 1.00 0.00 C ATOM 186 O VAL A 11 101.304 2.124 -11.489 1.00 0.00 O ATOM 187 CB VAL A 11 104.154 3.249 -10.275 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.803 4.248 -9.314 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.896 1.930 -9.530 1.00 0.00 C ATOM 0 H VAL A 11 101.624 3.104 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 11 103.006 4.784 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 11 104.817 3.057 -11.119 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.737 3.834 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 11 105.007 5.180 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.128 4.442 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.840 1.531 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.224 2.111 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.441 1.211 -10.211 1.00 0.00 H new ATOM 199 N GLU A 12 102.628 2.930 -13.060 1.00 0.00 N ATOM 200 CA GLU A 12 102.137 1.940 -14.062 1.00 0.00 C ATOM 201 C GLU A 12 103.316 1.113 -14.580 1.00 0.00 C ATOM 202 O GLU A 12 104.419 1.605 -14.707 1.00 0.00 O ATOM 203 CB GLU A 12 101.519 2.785 -15.184 1.00 0.00 C ATOM 204 CG GLU A 12 100.938 1.872 -16.270 1.00 0.00 C ATOM 205 CD GLU A 12 100.221 2.720 -17.326 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.745 3.763 -17.681 1.00 0.00 O ATOM 207 OE2 GLU A 12 99.157 2.309 -17.760 1.00 0.00 O ATOM 0 H GLU A 12 103.302 3.608 -13.415 1.00 0.00 H new ATOM 0 HA GLU A 12 101.412 1.239 -13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.736 3.425 -14.779 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.275 3.441 -15.615 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.734 1.291 -16.735 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.242 1.160 -15.827 1.00 0.00 H new ATOM 214 N VAL A 13 103.089 -0.140 -14.873 1.00 0.00 N ATOM 215 CA VAL A 13 104.177 -0.991 -15.436 1.00 0.00 C ATOM 216 C VAL A 13 103.644 -1.786 -16.626 1.00 0.00 C ATOM 217 O VAL A 13 102.515 -2.242 -16.612 1.00 0.00 O ATOM 218 CB VAL A 13 104.600 -1.927 -14.288 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.463 -2.891 -13.924 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.820 -2.742 -14.719 1.00 0.00 C ATOM 0 H VAL A 13 102.194 -0.612 -14.746 1.00 0.00 H new ATOM 0 HA VAL A 13 105.022 -0.405 -15.797 1.00 0.00 H new ATOM 0 HB VAL A 13 104.840 -1.317 -13.417 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.784 -3.542 -13.111 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.589 -2.321 -13.608 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.206 -3.496 -14.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.120 -3.405 -13.907 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.569 -3.336 -15.598 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.642 -2.067 -14.959 1.00 0.00 H new ATOM 230 N LEU A 14 104.437 -1.956 -17.652 1.00 0.00 N ATOM 231 CA LEU A 14 104.033 -2.908 -18.730 1.00 0.00 C ATOM 232 C LEU A 14 104.692 -4.257 -18.489 1.00 0.00 C ATOM 233 O LEU A 14 105.865 -4.334 -18.168 1.00 0.00 O ATOM 234 CB LEU A 14 104.511 -2.338 -20.076 1.00 0.00 C ATOM 235 CG LEU A 14 104.123 -0.856 -20.285 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.928 -0.622 -21.786 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.829 -0.483 -19.545 1.00 0.00 C ATOM 0 H LEU A 14 105.332 -1.486 -17.790 1.00 0.00 H new ATOM 0 HA LEU A 14 102.951 -3.037 -18.735 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.595 -2.435 -20.139 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.090 -2.934 -20.885 1.00 0.00 H new ATOM 0 HG LEU A 14 104.920 -0.231 -19.882 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.653 0.418 -21.959 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.856 -0.845 -22.313 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.136 -1.273 -22.156 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.598 0.567 -19.722 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.009 -1.101 -19.911 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.960 -0.650 -18.476 1.00 0.00 H new ATOM 249 N LEU A 15 103.949 -5.318 -18.640 1.00 0.00 N ATOM 250 CA LEU A 15 104.546 -6.674 -18.469 1.00 0.00 C ATOM 251 C LEU A 15 105.211 -7.118 -19.775 1.00 0.00 C ATOM 252 O LEU A 15 105.144 -6.436 -20.780 1.00 0.00 O ATOM 253 CB LEU A 15 103.379 -7.599 -18.112 1.00 0.00 C ATOM 254 CG LEU A 15 102.783 -7.186 -16.762 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.467 -7.932 -16.537 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.764 -7.539 -15.642 1.00 0.00 C ATOM 0 H LEU A 15 102.956 -5.306 -18.874 1.00 0.00 H new ATOM 0 HA LEU A 15 105.313 -6.690 -17.695 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.614 -7.551 -18.887 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.723 -8.632 -18.067 1.00 0.00 H new ATOM 0 HG LEU A 15 102.599 -6.112 -16.760 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.042 -7.639 -15.577 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.767 -7.683 -17.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.653 -9.006 -16.539 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.341 -7.245 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.948 -8.613 -15.644 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.704 -7.010 -15.801 1.00 0.00 H new ATOM 268 N ASN A 16 105.852 -8.262 -19.759 1.00 0.00 N ATOM 269 CA ASN A 16 106.601 -8.747 -20.971 1.00 0.00 C ATOM 270 C ASN A 16 105.678 -8.863 -22.197 1.00 0.00 C ATOM 271 O ASN A 16 106.135 -8.847 -23.325 1.00 0.00 O ATOM 272 CB ASN A 16 107.165 -10.126 -20.586 1.00 0.00 C ATOM 273 CG ASN A 16 106.027 -11.079 -20.194 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.142 -11.345 -20.983 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.015 -11.606 -18.999 1.00 0.00 N ATOM 0 H ASN A 16 105.891 -8.888 -18.954 1.00 0.00 H new ATOM 0 HA ASN A 16 107.389 -8.047 -21.250 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.725 -10.543 -21.423 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.863 -10.022 -19.755 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.263 -12.240 -18.729 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.757 -11.383 -18.336 1.00 0.00 H new ATOM 282 N ASN A 17 104.390 -8.980 -21.982 1.00 0.00 N ATOM 283 CA ASN A 17 103.449 -9.185 -23.128 1.00 0.00 C ATOM 284 C ASN A 17 102.748 -7.870 -23.518 1.00 0.00 C ATOM 285 O ASN A 17 101.659 -7.887 -24.058 1.00 0.00 O ATOM 286 CB ASN A 17 102.431 -10.232 -22.641 1.00 0.00 C ATOM 287 CG ASN A 17 101.669 -9.719 -21.412 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.686 -9.019 -21.542 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.087 -10.044 -20.218 1.00 0.00 N ATOM 0 H ASN A 17 103.950 -8.942 -21.063 1.00 0.00 H new ATOM 0 HA ASN A 17 103.975 -9.520 -24.022 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.727 -10.462 -23.441 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.947 -11.160 -22.394 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.587 -9.710 -19.394 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.913 -10.632 -20.109 1.00 0.00 H new ATOM 296 N ASP A 18 103.363 -6.729 -23.246 1.00 0.00 N ATOM 297 CA ASP A 18 102.825 -5.415 -23.748 1.00 0.00 C ATOM 298 C ASP A 18 101.398 -5.176 -23.238 1.00 0.00 C ATOM 299 O ASP A 18 100.624 -4.468 -23.857 1.00 0.00 O ATOM 300 CB ASP A 18 102.844 -5.503 -25.283 1.00 0.00 C ATOM 301 CG ASP A 18 104.287 -5.635 -25.776 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.142 -4.946 -25.243 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.513 -6.425 -26.678 1.00 0.00 O ATOM 0 H ASP A 18 104.218 -6.656 -22.695 1.00 0.00 H new ATOM 0 HA ASP A 18 103.429 -4.581 -23.390 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.257 -6.359 -25.615 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.383 -4.614 -25.713 1.00 0.00 H new ATOM 308 N SER A 19 101.045 -5.763 -22.117 1.00 0.00 N ATOM 309 CA SER A 19 99.774 -5.377 -21.436 1.00 0.00 C ATOM 310 C SER A 19 100.095 -4.411 -20.298 1.00 0.00 C ATOM 311 O SER A 19 100.996 -4.649 -19.513 1.00 0.00 O ATOM 312 CB SER A 19 99.193 -6.681 -20.891 1.00 0.00 C ATOM 313 OG SER A 19 100.056 -7.196 -19.886 1.00 0.00 O ATOM 0 H SER A 19 101.584 -6.491 -21.648 1.00 0.00 H new ATOM 0 HA SER A 19 99.069 -4.881 -22.104 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.200 -6.505 -20.478 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.080 -7.407 -21.696 1.00 0.00 H new ATOM 0 HG SER A 19 100.286 -8.125 -20.097 1.00 0.00 H new ATOM 319 N LYS A 20 99.369 -3.328 -20.200 1.00 0.00 N ATOM 320 CA LYS A 20 99.756 -2.251 -19.237 1.00 0.00 C ATOM 321 C LYS A 20 98.762 -2.193 -18.073 1.00 0.00 C ATOM 322 O LYS A 20 97.563 -2.300 -18.263 1.00 0.00 O ATOM 323 CB LYS A 20 99.702 -0.935 -20.037 1.00 0.00 C ATOM 324 CG LYS A 20 100.355 -1.102 -21.421 1.00 0.00 C ATOM 325 CD LYS A 20 100.443 0.260 -22.113 1.00 0.00 C ATOM 326 CE LYS A 20 100.987 0.079 -23.531 1.00 0.00 C ATOM 327 NZ LYS A 20 101.123 1.460 -24.071 1.00 0.00 N ATOM 0 H LYS A 20 98.526 -3.142 -20.743 1.00 0.00 H new ATOM 0 HA LYS A 20 100.744 -2.431 -18.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.665 -0.620 -20.156 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.213 -0.147 -19.483 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.351 -1.533 -21.315 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.771 -1.793 -22.029 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.459 0.727 -22.147 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.092 0.927 -21.546 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.947 -0.438 -23.523 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.309 -0.518 -24.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.492 1.418 -25.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.193 1.925 -24.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 101.780 2.003 -23.475 1.00 0.00 H new ATOM 341 N ALA A 21 99.257 -2.024 -16.870 1.00 0.00 N ATOM 342 CA ALA A 21 98.354 -1.882 -15.686 1.00 0.00 C ATOM 343 C ALA A 21 98.925 -0.848 -14.709 1.00 0.00 C ATOM 344 O ALA A 21 100.128 -0.716 -14.572 1.00 0.00 O ATOM 345 CB ALA A 21 98.322 -3.269 -15.043 1.00 0.00 C ATOM 0 H ALA A 21 100.254 -1.978 -16.657 1.00 0.00 H new ATOM 0 HA ALA A 21 97.357 -1.540 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.678 -3.248 -14.164 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.934 -3.993 -15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.331 -3.556 -14.747 1.00 0.00 H new ATOM 351 N ARG A 22 98.071 -0.119 -14.029 1.00 0.00 N ATOM 352 CA ARG A 22 98.558 0.939 -13.086 1.00 0.00 C ATOM 353 C ARG A 22 97.750 0.910 -11.785 1.00 0.00 C ATOM 354 O ARG A 22 96.587 0.553 -11.778 1.00 0.00 O ATOM 355 CB ARG A 22 98.357 2.274 -13.823 1.00 0.00 C ATOM 356 CG ARG A 22 96.880 2.471 -14.193 1.00 0.00 C ATOM 357 CD ARG A 22 96.738 3.696 -15.103 1.00 0.00 C ATOM 358 NE ARG A 22 96.701 4.875 -14.178 1.00 0.00 N ATOM 359 CZ ARG A 22 96.268 6.054 -14.584 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.856 6.250 -15.816 1.00 0.00 N ATOM 361 NH2 ARG A 22 96.249 7.050 -13.741 1.00 0.00 N ATOM 0 H ARG A 22 97.057 -0.211 -14.086 1.00 0.00 H new ATOM 0 HA ARG A 22 99.602 0.787 -12.811 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.692 3.098 -13.193 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.969 2.293 -14.725 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.500 1.583 -14.699 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.283 2.604 -13.291 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.574 3.768 -15.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.829 3.638 -15.702 1.00 0.00 H new ATOM 0 HE ARG A 22 97.017 4.764 -13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.866 5.481 -16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.526 7.172 -16.103 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.566 6.912 -12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 22 95.917 7.966 -14.042 1.00 0.00 H new ATOM 375 N GLY A 23 98.365 1.286 -10.688 1.00 0.00 N ATOM 376 CA GLY A 23 97.646 1.281 -9.378 1.00 0.00 C ATOM 377 C GLY A 23 98.604 1.732 -8.274 1.00 0.00 C ATOM 378 O GLY A 23 99.709 2.163 -8.546 1.00 0.00 O ATOM 0 H GLY A 23 99.336 1.596 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.783 1.946 -9.421 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.268 0.282 -9.161 1.00 0.00 H new ATOM 382 N VAL A 24 98.191 1.636 -7.034 1.00 0.00 N ATOM 383 CA VAL A 24 99.065 2.092 -5.907 1.00 0.00 C ATOM 384 C VAL A 24 99.940 0.926 -5.430 1.00 0.00 C ATOM 385 O VAL A 24 99.496 -0.202 -5.361 1.00 0.00 O ATOM 386 CB VAL A 24 98.108 2.547 -4.790 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.915 3.061 -3.592 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.203 3.677 -5.297 1.00 0.00 C ATOM 0 H VAL A 24 97.285 1.261 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 24 99.732 2.901 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 24 97.497 1.696 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.233 3.382 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.555 2.263 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.532 3.904 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.531 3.991 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.816 4.523 -5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.618 3.322 -6.145 1.00 0.00 H new ATOM 398 N ILE A 25 101.178 1.197 -5.104 1.00 0.00 N ATOM 399 CA ILE A 25 102.090 0.111 -4.614 1.00 0.00 C ATOM 400 C ILE A 25 101.823 -0.167 -3.129 1.00 0.00 C ATOM 401 O ILE A 25 101.620 0.743 -2.347 1.00 0.00 O ATOM 402 CB ILE A 25 103.512 0.661 -4.837 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.773 0.779 -6.343 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.563 -0.266 -4.205 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.027 1.623 -6.587 1.00 0.00 C ATOM 0 H ILE A 25 101.600 2.124 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 25 101.942 -0.834 -5.136 1.00 0.00 H new ATOM 0 HB ILE A 25 103.588 1.640 -4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.900 -0.212 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.915 1.236 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.559 0.143 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.382 -0.344 -3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.495 -1.255 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.208 1.704 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.883 2.619 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.884 1.148 -6.109 1.00 0.00 H new ATOM 417 N THR A 26 101.824 -1.422 -2.740 1.00 0.00 N ATOM 418 CA THR A 26 101.567 -1.770 -1.308 1.00 0.00 C ATOM 419 C THR A 26 102.697 -2.629 -0.724 1.00 0.00 C ATOM 420 O THR A 26 103.043 -2.483 0.434 1.00 0.00 O ATOM 421 CB THR A 26 100.253 -2.553 -1.317 1.00 0.00 C ATOM 422 OG1 THR A 26 100.346 -3.623 -2.245 1.00 0.00 O ATOM 423 CG2 THR A 26 99.102 -1.626 -1.715 1.00 0.00 C ATOM 0 H THR A 26 101.992 -2.219 -3.354 1.00 0.00 H new ATOM 0 HA THR A 26 101.515 -0.876 -0.687 1.00 0.00 H new ATOM 0 HB THR A 26 100.064 -2.952 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.458 -3.263 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.168 -2.188 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.030 -0.808 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.288 -1.222 -2.710 1.00 0.00 H new ATOM 431 N ASN A 27 103.278 -3.520 -1.501 1.00 0.00 N ATOM 432 CA ASN A 27 104.263 -4.484 -0.915 1.00 0.00 C ATOM 433 C ASN A 27 105.486 -4.641 -1.822 1.00 0.00 C ATOM 434 O ASN A 27 105.388 -4.566 -3.031 1.00 0.00 O ATOM 435 CB ASN A 27 103.503 -5.807 -0.812 1.00 0.00 C ATOM 436 CG ASN A 27 104.279 -6.772 0.086 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.440 -6.528 1.265 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.772 -7.867 -0.426 1.00 0.00 N ATOM 0 H ASN A 27 103.113 -3.618 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 27 104.638 -4.143 0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.507 -5.636 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.372 -6.241 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.292 -8.517 0.164 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.637 -8.073 -1.416 1.00 0.00 H new ATOM 445 N PHE A 28 106.636 -4.854 -1.233 1.00 0.00 N ATOM 446 CA PHE A 28 107.861 -5.167 -2.029 1.00 0.00 C ATOM 447 C PHE A 28 108.783 -6.076 -1.214 1.00 0.00 C ATOM 448 O PHE A 28 109.093 -5.793 -0.071 1.00 0.00 O ATOM 449 CB PHE A 28 108.525 -3.817 -2.292 1.00 0.00 C ATOM 450 CG PHE A 28 109.641 -3.884 -3.306 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.349 -4.169 -4.661 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.980 -3.660 -2.902 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.396 -4.231 -5.614 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.027 -3.721 -3.853 1.00 0.00 C ATOM 455 CZ PHE A 28 111.735 -4.007 -5.210 1.00 0.00 C ATOM 0 H PHE A 28 106.779 -4.824 -0.224 1.00 0.00 H new ATOM 0 HA PHE A 28 107.634 -5.687 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.771 -3.111 -2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.919 -3.426 -1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.328 -4.339 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.202 -3.443 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.173 -4.449 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.048 -3.550 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.533 -4.054 -5.936 1.00 0.00 H new ATOM 465 N ASP A 29 109.222 -7.164 -1.796 1.00 0.00 N ATOM 466 CA ASP A 29 110.059 -8.145 -1.041 1.00 0.00 C ATOM 467 C ASP A 29 111.403 -8.335 -1.744 1.00 0.00 C ATOM 468 O ASP A 29 111.455 -8.728 -2.893 1.00 0.00 O ATOM 469 CB ASP A 29 109.252 -9.445 -1.058 1.00 0.00 C ATOM 470 CG ASP A 29 109.908 -10.469 -0.130 1.00 0.00 C ATOM 471 OD1 ASP A 29 109.693 -10.376 1.067 1.00 0.00 O ATOM 472 OD2 ASP A 29 110.612 -11.328 -0.633 1.00 0.00 O ATOM 0 H ASP A 29 109.035 -7.416 -2.767 1.00 0.00 H new ATOM 0 HA ASP A 29 110.276 -7.815 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.228 -9.253 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.200 -9.840 -2.073 1.00 0.00 H new ATOM 477 N SER A 30 112.486 -8.057 -1.061 1.00 0.00 N ATOM 478 CA SER A 30 113.838 -8.175 -1.698 1.00 0.00 C ATOM 479 C SER A 30 114.193 -9.646 -1.948 1.00 0.00 C ATOM 480 O SER A 30 114.876 -9.970 -2.902 1.00 0.00 O ATOM 481 CB SER A 30 114.815 -7.557 -0.696 1.00 0.00 C ATOM 482 OG SER A 30 114.397 -6.233 -0.391 1.00 0.00 O ATOM 0 H SER A 30 112.494 -7.753 -0.088 1.00 0.00 H new ATOM 0 HA SER A 30 113.871 -7.673 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.851 -8.158 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.823 -7.546 -1.112 1.00 0.00 H new ATOM 0 HG SER A 30 115.019 -5.834 0.252 1.00 0.00 H new ATOM 488 N SER A 31 113.733 -10.536 -1.099 1.00 0.00 N ATOM 489 CA SER A 31 114.131 -11.980 -1.219 1.00 0.00 C ATOM 490 C SER A 31 113.655 -12.568 -2.552 1.00 0.00 C ATOM 491 O SER A 31 114.393 -13.265 -3.226 1.00 0.00 O ATOM 492 CB SER A 31 113.445 -12.691 -0.049 1.00 0.00 C ATOM 493 OG SER A 31 113.713 -11.981 1.153 1.00 0.00 O ATOM 0 H SER A 31 113.099 -10.327 -0.328 1.00 0.00 H new ATOM 0 HA SER A 31 115.214 -12.100 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.370 -12.745 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.807 -13.716 0.032 1.00 0.00 H new ATOM 0 HG SER A 31 113.274 -12.432 1.904 1.00 0.00 H new ATOM 499 N ASN A 32 112.431 -12.295 -2.935 1.00 0.00 N ATOM 500 CA ASN A 32 111.896 -12.848 -4.222 1.00 0.00 C ATOM 501 C ASN A 32 111.391 -11.726 -5.147 1.00 0.00 C ATOM 502 O ASN A 32 110.742 -11.993 -6.139 1.00 0.00 O ATOM 503 CB ASN A 32 110.737 -13.757 -3.809 1.00 0.00 C ATOM 504 CG ASN A 32 111.277 -14.960 -3.031 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.338 -15.469 -3.333 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.585 -15.439 -2.033 1.00 0.00 N ATOM 0 H ASN A 32 111.777 -11.712 -2.412 1.00 0.00 H new ATOM 0 HA ASN A 32 112.667 -13.380 -4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.028 -13.202 -3.194 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.195 -14.096 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.935 -16.240 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.694 -15.012 -1.779 1.00 0.00 H new ATOM 513 N SER A 33 111.683 -10.477 -4.827 1.00 0.00 N ATOM 514 CA SER A 33 111.224 -9.315 -5.671 1.00 0.00 C ATOM 515 C SER A 33 109.735 -9.441 -6.046 1.00 0.00 C ATOM 516 O SER A 33 109.383 -9.615 -7.200 1.00 0.00 O ATOM 517 CB SER A 33 112.124 -9.343 -6.914 1.00 0.00 C ATOM 518 OG SER A 33 111.703 -10.377 -7.795 1.00 0.00 O ATOM 0 H SER A 33 112.227 -10.212 -4.006 1.00 0.00 H new ATOM 0 HA SER A 33 111.306 -8.369 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 33 112.084 -8.381 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.161 -9.505 -6.619 1.00 0.00 H new ATOM 0 HG SER A 33 110.976 -10.885 -7.379 1.00 0.00 H new ATOM 524 N ILE A 34 108.863 -9.349 -5.071 1.00 0.00 N ATOM 525 CA ILE A 34 107.396 -9.479 -5.348 1.00 0.00 C ATOM 526 C ILE A 34 106.692 -8.151 -5.042 1.00 0.00 C ATOM 527 O ILE A 34 106.915 -7.547 -4.009 1.00 0.00 O ATOM 528 CB ILE A 34 106.892 -10.593 -4.411 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.712 -11.889 -4.617 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.410 -10.874 -4.686 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.567 -12.421 -6.055 1.00 0.00 C ATOM 0 H ILE A 34 109.104 -9.189 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 34 107.193 -9.720 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 34 107.015 -10.260 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.763 -11.695 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.378 -12.649 -3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.060 -11.663 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.830 -9.968 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.286 -11.191 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.155 -13.332 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.519 -12.639 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.925 -11.669 -6.759 1.00 0.00 H new ATOM 543 N LEU A 35 105.845 -7.700 -5.936 1.00 0.00 N ATOM 544 CA LEU A 35 105.205 -6.358 -5.771 1.00 0.00 C ATOM 545 C LEU A 35 103.681 -6.487 -5.825 1.00 0.00 C ATOM 546 O LEU A 35 103.129 -7.014 -6.773 1.00 0.00 O ATOM 547 CB LEU A 35 105.719 -5.541 -6.960 1.00 0.00 C ATOM 548 CG LEU A 35 105.245 -4.090 -6.842 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.198 -3.309 -5.935 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.225 -3.451 -8.233 1.00 0.00 C ATOM 0 H LEU A 35 105.569 -8.207 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 35 105.446 -5.893 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.808 -5.575 -6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.359 -5.975 -7.893 1.00 0.00 H new ATOM 0 HG LEU A 35 104.243 -4.068 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.858 -2.277 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.214 -3.765 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.202 -3.328 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.888 -2.417 -8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.228 -3.474 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.544 -4.006 -8.879 1.00 0.00 H new ATOM 562 N GLN A 36 103.004 -6.007 -4.812 1.00 0.00 N ATOM 563 CA GLN A 36 101.513 -5.986 -4.841 1.00 0.00 C ATOM 564 C GLN A 36 101.021 -4.573 -5.156 1.00 0.00 C ATOM 565 O GLN A 36 101.435 -3.612 -4.532 1.00 0.00 O ATOM 566 CB GLN A 36 101.079 -6.407 -3.438 1.00 0.00 C ATOM 567 CG GLN A 36 101.391 -7.890 -3.230 1.00 0.00 C ATOM 568 CD GLN A 36 100.943 -8.318 -1.830 1.00 0.00 C ATOM 569 OE1 GLN A 36 99.924 -7.872 -1.342 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.668 -9.172 -1.161 1.00 0.00 N ATOM 0 H GLN A 36 103.424 -5.628 -3.963 1.00 0.00 H new ATOM 0 HA GLN A 36 101.102 -6.647 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.598 -5.807 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.012 -6.227 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.881 -8.489 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.460 -8.068 -3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.524 -9.546 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.379 -9.465 -0.228 1.00 0.00 H new ATOM 579 N LEU A 37 100.142 -4.443 -6.120 1.00 0.00 N ATOM 580 CA LEU A 37 99.580 -3.102 -6.458 1.00 0.00 C ATOM 581 C LEU A 37 98.103 -3.040 -6.066 1.00 0.00 C ATOM 582 O LEU A 37 97.293 -3.809 -6.552 1.00 0.00 O ATOM 583 CB LEU A 37 99.734 -2.968 -7.975 1.00 0.00 C ATOM 584 CG LEU A 37 101.218 -2.888 -8.342 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.386 -3.148 -9.841 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.756 -1.493 -8.007 1.00 0.00 C ATOM 0 H LEU A 37 99.789 -5.213 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 37 100.090 -2.298 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.273 -3.821 -8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.215 -2.075 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 37 101.771 -3.637 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.442 -3.091 -10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.004 -4.140 -10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.831 -2.398 -10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.813 -1.438 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.202 -0.744 -8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.636 -1.303 -6.940 1.00 0.00 H new ATOM 598 N ARG A 38 97.753 -2.130 -5.192 1.00 0.00 N ATOM 599 CA ARG A 38 96.316 -1.964 -4.809 1.00 0.00 C ATOM 600 C ARG A 38 95.688 -0.833 -5.627 1.00 0.00 C ATOM 601 O ARG A 38 96.181 0.280 -5.640 1.00 0.00 O ATOM 602 CB ARG A 38 96.337 -1.614 -3.320 1.00 0.00 C ATOM 603 CG ARG A 38 94.906 -1.590 -2.776 1.00 0.00 C ATOM 604 CD ARG A 38 94.921 -1.138 -1.311 1.00 0.00 C ATOM 605 NE ARG A 38 95.631 -2.227 -0.565 1.00 0.00 N ATOM 606 CZ ARG A 38 96.114 -2.028 0.647 1.00 0.00 C ATOM 607 NH1 ARG A 38 95.989 -0.872 1.258 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.729 -3.006 1.255 1.00 0.00 N ATOM 0 H ARG A 38 98.400 -1.494 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 38 95.726 -2.860 -5.000 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.932 -2.345 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.809 -0.643 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.292 -0.913 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.459 -2.581 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.437 -0.184 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 38 93.908 -0.998 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 38 95.743 -3.141 -1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 38 95.509 -0.100 0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 38 96.372 -0.746 2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.831 -3.910 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 38 97.107 -2.866 2.192 1.00 0.00 H new ATOM 622 N LEU A 39 94.605 -1.112 -6.309 1.00 0.00 N ATOM 623 CA LEU A 39 94.003 -0.096 -7.224 1.00 0.00 C ATOM 624 C LEU A 39 92.780 0.563 -6.578 1.00 0.00 C ATOM 625 O LEU A 39 92.066 -0.051 -5.803 1.00 0.00 O ATOM 626 CB LEU A 39 93.609 -0.888 -8.476 1.00 0.00 C ATOM 627 CG LEU A 39 93.234 0.065 -9.622 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.418 0.972 -9.970 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.874 -0.764 -10.854 1.00 0.00 C ATOM 0 H LEU A 39 94.111 -2.003 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 39 94.693 0.715 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.436 -1.528 -8.784 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.767 -1.542 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 39 92.390 0.681 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.137 1.641 -10.783 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.695 1.560 -9.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.266 0.361 -10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.606 -0.099 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.730 -1.373 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.029 -1.413 -10.622 1.00 0.00 H new ATOM 641 N ALA A 40 92.536 1.812 -6.906 1.00 0.00 N ATOM 642 CA ALA A 40 91.441 2.591 -6.233 1.00 0.00 C ATOM 643 C ALA A 40 90.055 1.986 -6.514 1.00 0.00 C ATOM 644 O ALA A 40 89.075 2.384 -5.910 1.00 0.00 O ATOM 645 CB ALA A 40 91.529 4.002 -6.819 1.00 0.00 C ATOM 0 H ALA A 40 93.052 2.330 -7.617 1.00 0.00 H new ATOM 0 HA ALA A 40 91.564 2.580 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.757 4.630 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.510 4.425 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.382 3.958 -7.898 1.00 0.00 H new ATOM 651 N ASN A 41 89.956 1.036 -7.418 1.00 0.00 N ATOM 652 CA ASN A 41 88.645 0.349 -7.659 1.00 0.00 C ATOM 653 C ASN A 41 88.446 -0.823 -6.676 1.00 0.00 C ATOM 654 O ASN A 41 87.814 -1.807 -7.012 1.00 0.00 O ATOM 655 CB ASN A 41 88.731 -0.177 -9.096 1.00 0.00 C ATOM 656 CG ASN A 41 88.778 1.001 -10.074 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.133 2.008 -9.863 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.522 0.914 -11.143 1.00 0.00 N ATOM 0 H ASN A 41 90.727 0.708 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 41 87.804 1.026 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.620 -0.796 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.871 -0.810 -9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.562 1.692 -11.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.064 0.068 -11.320 1.00 0.00 H new ATOM 665 N ASP A 42 88.983 -0.733 -5.466 1.00 0.00 N ATOM 666 CA ASP A 42 88.780 -1.814 -4.437 1.00 0.00 C ATOM 667 C ASP A 42 89.287 -3.161 -4.968 1.00 0.00 C ATOM 668 O ASP A 42 88.785 -4.207 -4.599 1.00 0.00 O ATOM 669 CB ASP A 42 87.267 -1.874 -4.167 1.00 0.00 C ATOM 670 CG ASP A 42 86.794 -0.545 -3.571 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.495 -0.013 -2.726 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.738 -0.082 -3.970 1.00 0.00 O ATOM 0 H ASP A 42 89.556 0.050 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 42 89.335 -1.601 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.731 -2.079 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.043 -2.691 -3.481 1.00 0.00 H new ATOM 677 N SER A 43 90.280 -3.143 -5.835 1.00 0.00 N ATOM 678 CA SER A 43 90.862 -4.424 -6.340 1.00 0.00 C ATOM 679 C SER A 43 92.356 -4.487 -6.013 1.00 0.00 C ATOM 680 O SER A 43 93.059 -3.498 -6.107 1.00 0.00 O ATOM 681 CB SER A 43 90.643 -4.390 -7.853 1.00 0.00 C ATOM 682 OG SER A 43 89.249 -4.325 -8.123 1.00 0.00 O ATOM 0 H SER A 43 90.707 -2.296 -6.210 1.00 0.00 H new ATOM 0 HA SER A 43 90.399 -5.299 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.150 -3.528 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.074 -5.278 -8.315 1.00 0.00 H new ATOM 0 HG SER A 43 88.910 -3.438 -7.881 1.00 0.00 H new ATOM 688 N THR A 44 92.841 -5.644 -5.630 1.00 0.00 N ATOM 689 CA THR A 44 94.291 -5.784 -5.289 1.00 0.00 C ATOM 690 C THR A 44 94.898 -6.977 -6.035 1.00 0.00 C ATOM 691 O THR A 44 94.246 -7.985 -6.242 1.00 0.00 O ATOM 692 CB THR A 44 94.332 -6.003 -3.766 1.00 0.00 C ATOM 693 OG1 THR A 44 95.683 -6.141 -3.351 1.00 0.00 O ATOM 694 CG2 THR A 44 93.547 -7.264 -3.371 1.00 0.00 C ATOM 0 H THR A 44 92.293 -6.499 -5.539 1.00 0.00 H new ATOM 0 HA THR A 44 94.870 -4.908 -5.580 1.00 0.00 H new ATOM 0 HB THR A 44 93.873 -5.143 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.715 -6.279 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.591 -7.396 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.508 -7.158 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.985 -8.134 -3.861 1.00 0.00 H new ATOM 702 N LYS A 45 96.140 -6.866 -6.436 1.00 0.00 N ATOM 703 CA LYS A 45 96.793 -7.980 -7.191 1.00 0.00 C ATOM 704 C LYS A 45 98.268 -8.096 -6.805 1.00 0.00 C ATOM 705 O LYS A 45 98.944 -7.105 -6.595 1.00 0.00 O ATOM 706 CB LYS A 45 96.652 -7.598 -8.663 1.00 0.00 C ATOM 707 CG LYS A 45 95.212 -7.841 -9.114 1.00 0.00 C ATOM 708 CD LYS A 45 95.094 -7.579 -10.617 1.00 0.00 C ATOM 709 CE LYS A 45 93.632 -7.722 -11.048 1.00 0.00 C ATOM 710 NZ LYS A 45 93.509 -6.878 -12.269 1.00 0.00 N ATOM 0 H LYS A 45 96.731 -6.051 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 45 96.335 -8.945 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.918 -6.551 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.339 -8.187 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.918 -8.866 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.533 -7.187 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.457 -6.578 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.717 -8.282 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.382 -8.762 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 45 92.954 -7.384 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.533 -6.924 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.747 -5.893 -12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.161 -7.227 -13.000 1.00 0.00 H new ATOM 724 N SER A 46 98.768 -9.304 -6.713 1.00 0.00 N ATOM 725 CA SER A 46 100.214 -9.505 -6.402 1.00 0.00 C ATOM 726 C SER A 46 100.953 -9.990 -7.652 1.00 0.00 C ATOM 727 O SER A 46 100.629 -11.022 -8.210 1.00 0.00 O ATOM 728 CB SER A 46 100.241 -10.578 -5.313 1.00 0.00 C ATOM 729 OG SER A 46 99.781 -11.809 -5.856 1.00 0.00 O ATOM 0 H SER A 46 98.232 -10.163 -6.841 1.00 0.00 H new ATOM 0 HA SER A 46 100.701 -8.586 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.253 -10.694 -4.925 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.611 -10.279 -4.475 1.00 0.00 H new ATOM 0 HG SER A 46 99.758 -11.747 -6.834 1.00 0.00 H new ATOM 735 N ILE A 47 101.943 -9.251 -8.094 1.00 0.00 N ATOM 736 CA ILE A 47 102.688 -9.642 -9.329 1.00 0.00 C ATOM 737 C ILE A 47 104.192 -9.626 -9.043 1.00 0.00 C ATOM 738 O ILE A 47 104.717 -8.661 -8.517 1.00 0.00 O ATOM 739 CB ILE A 47 102.317 -8.585 -10.385 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.801 -8.592 -10.621 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.028 -8.900 -11.706 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.403 -7.364 -11.442 1.00 0.00 C ATOM 0 H ILE A 47 102.267 -8.392 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 47 102.434 -10.645 -9.671 1.00 0.00 H new ATOM 0 HB ILE A 47 102.627 -7.604 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.509 -9.502 -11.145 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.274 -8.590 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.762 -8.149 -12.450 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.107 -8.890 -11.550 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.721 -9.885 -12.059 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.326 -7.371 -11.608 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.681 -6.459 -10.901 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.919 -7.386 -12.402 1.00 0.00 H new ATOM 754 N VAL A 48 104.884 -10.684 -9.386 1.00 0.00 N ATOM 755 CA VAL A 48 106.362 -10.721 -9.152 1.00 0.00 C ATOM 756 C VAL A 48 107.054 -9.775 -10.138 1.00 0.00 C ATOM 757 O VAL A 48 106.718 -9.729 -11.304 1.00 0.00 O ATOM 758 CB VAL A 48 106.800 -12.178 -9.389 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.286 -12.333 -9.032 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.955 -13.137 -8.529 1.00 0.00 C ATOM 0 H VAL A 48 104.492 -11.521 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 48 106.627 -10.400 -8.145 1.00 0.00 H new ATOM 0 HB VAL A 48 106.650 -12.426 -10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.595 -13.365 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.882 -11.669 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.437 -12.075 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.276 -14.163 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.087 -12.893 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.903 -13.034 -8.796 1.00 0.00 H new ATOM 770 N THR A 49 108.019 -9.023 -9.672 1.00 0.00 N ATOM 771 CA THR A 49 108.628 -7.948 -10.525 1.00 0.00 C ATOM 772 C THR A 49 109.296 -8.535 -11.773 1.00 0.00 C ATOM 773 O THR A 49 109.449 -7.859 -12.773 1.00 0.00 O ATOM 774 CB THR A 49 109.668 -7.253 -9.638 1.00 0.00 C ATOM 775 OG1 THR A 49 110.614 -8.209 -9.182 1.00 0.00 O ATOM 776 CG2 THR A 49 108.974 -6.602 -8.439 1.00 0.00 C ATOM 0 H THR A 49 108.415 -9.105 -8.735 1.00 0.00 H new ATOM 0 HA THR A 49 107.867 -7.254 -10.882 1.00 0.00 H new ATOM 0 HB THR A 49 110.179 -6.483 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.202 -8.775 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.717 -6.110 -7.812 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.252 -5.866 -8.792 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.458 -7.366 -7.858 1.00 0.00 H new ATOM 784 N LYS A 50 109.698 -9.783 -11.727 1.00 0.00 N ATOM 785 CA LYS A 50 110.443 -10.384 -12.883 1.00 0.00 C ATOM 786 C LYS A 50 109.617 -10.292 -14.174 1.00 0.00 C ATOM 787 O LYS A 50 110.163 -10.282 -15.263 1.00 0.00 O ATOM 788 CB LYS A 50 110.685 -11.850 -12.497 1.00 0.00 C ATOM 789 CG LYS A 50 111.593 -12.524 -13.533 1.00 0.00 C ATOM 790 CD LYS A 50 111.540 -14.042 -13.343 1.00 0.00 C ATOM 791 CE LYS A 50 112.555 -14.709 -14.275 1.00 0.00 C ATOM 792 NZ LYS A 50 112.126 -16.133 -14.352 1.00 0.00 N ATOM 0 H LYS A 50 109.543 -10.413 -10.940 1.00 0.00 H new ATOM 0 HA LYS A 50 111.377 -9.857 -13.076 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.144 -11.903 -11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.734 -12.380 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.272 -12.261 -14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 50 112.617 -12.168 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 50 111.760 -14.297 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 110.537 -14.411 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 50 112.553 -14.242 -15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.568 -14.622 -13.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 112.774 -16.658 -14.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.144 -16.553 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 111.161 -16.184 -14.735 1.00 0.00 H new ATOM 806 N ASP A 51 108.313 -10.228 -14.061 1.00 0.00 N ATOM 807 CA ASP A 51 107.466 -10.051 -15.285 1.00 0.00 C ATOM 808 C ASP A 51 107.285 -8.560 -15.630 1.00 0.00 C ATOM 809 O ASP A 51 106.488 -8.218 -16.486 1.00 0.00 O ATOM 810 CB ASP A 51 106.115 -10.719 -14.971 1.00 0.00 C ATOM 811 CG ASP A 51 105.444 -10.073 -13.751 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.339 -8.858 -13.722 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.040 -10.811 -12.867 1.00 0.00 O ATOM 0 H ASP A 51 107.800 -10.290 -13.182 1.00 0.00 H new ATOM 0 HA ASP A 51 107.937 -10.506 -16.157 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.457 -10.638 -15.836 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.267 -11.782 -14.785 1.00 0.00 H new ATOM 818 N ILE A 52 108.011 -7.672 -14.979 1.00 0.00 N ATOM 819 CA ILE A 52 107.955 -6.224 -15.371 1.00 0.00 C ATOM 820 C ILE A 52 108.800 -5.994 -16.627 1.00 0.00 C ATOM 821 O ILE A 52 110.011 -6.116 -16.600 1.00 0.00 O ATOM 822 CB ILE A 52 108.533 -5.443 -14.175 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.623 -5.635 -12.949 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.636 -3.943 -14.520 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.252 -4.962 -11.723 1.00 0.00 C ATOM 0 H ILE A 52 108.634 -7.887 -14.200 1.00 0.00 H new ATOM 0 HA ILE A 52 106.940 -5.900 -15.599 1.00 0.00 H new ATOM 0 HB ILE A 52 109.530 -5.821 -13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.639 -5.208 -13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.477 -6.698 -12.756 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.046 -3.401 -13.668 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.290 -3.812 -15.382 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.645 -3.555 -14.755 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.603 -5.101 -10.858 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.226 -5.409 -11.522 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.375 -3.896 -11.916 1.00 0.00 H new ATOM 837 N LYS A 53 108.165 -5.662 -17.725 1.00 0.00 N ATOM 838 CA LYS A 53 108.935 -5.242 -18.937 1.00 0.00 C ATOM 839 C LYS A 53 109.332 -3.769 -18.825 1.00 0.00 C ATOM 840 O LYS A 53 110.424 -3.385 -19.204 1.00 0.00 O ATOM 841 CB LYS A 53 107.987 -5.449 -20.119 1.00 0.00 C ATOM 842 CG LYS A 53 108.740 -5.221 -21.433 1.00 0.00 C ATOM 843 CD LYS A 53 107.775 -5.383 -22.610 1.00 0.00 C ATOM 844 CE LYS A 53 108.559 -5.342 -23.924 1.00 0.00 C ATOM 845 NZ LYS A 53 107.659 -5.977 -24.927 1.00 0.00 N ATOM 0 H LYS A 53 107.151 -5.664 -17.834 1.00 0.00 H new ATOM 0 HA LYS A 53 109.854 -5.816 -19.053 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.576 -6.458 -20.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.145 -4.760 -20.047 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.179 -4.224 -21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.561 -5.932 -21.522 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.237 -6.327 -22.525 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.029 -4.588 -22.594 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.805 -4.318 -24.206 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.501 -5.884 -23.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.021 -5.793 -25.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.624 -7.003 -24.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.703 -5.579 -24.837 1.00 0.00 H new ATOM 859 N ASP A 54 108.455 -2.943 -18.306 1.00 0.00 N ATOM 860 CA ASP A 54 108.729 -1.467 -18.287 1.00 0.00 C ATOM 861 C ASP A 54 107.994 -0.789 -17.130 1.00 0.00 C ATOM 862 O ASP A 54 106.904 -1.184 -16.763 1.00 0.00 O ATOM 863 CB ASP A 54 108.204 -0.942 -19.625 1.00 0.00 C ATOM 864 CG ASP A 54 109.117 -1.412 -20.760 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.321 -1.272 -20.622 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.596 -1.903 -21.748 1.00 0.00 O ATOM 0 H ASP A 54 107.564 -3.224 -17.896 1.00 0.00 H new ATOM 0 HA ASP A 54 109.790 -1.260 -18.149 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.188 -1.298 -19.792 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.161 0.147 -19.607 1.00 0.00 H new ATOM 871 N LEU A 55 108.584 0.236 -16.557 1.00 0.00 N ATOM 872 CA LEU A 55 107.967 0.908 -15.370 1.00 0.00 C ATOM 873 C LEU A 55 107.845 2.419 -15.601 1.00 0.00 C ATOM 874 O LEU A 55 108.696 3.029 -16.221 1.00 0.00 O ATOM 875 CB LEU A 55 108.932 0.640 -14.213 1.00 0.00 C ATOM 876 CG LEU A 55 108.801 -0.812 -13.750 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.115 -1.267 -13.111 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.674 -0.918 -12.719 1.00 0.00 C ATOM 0 H LEU A 55 109.471 0.636 -16.864 1.00 0.00 H new ATOM 0 HA LEU A 55 106.963 0.531 -15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.956 0.839 -14.529 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.717 1.315 -13.385 1.00 0.00 H new ATOM 0 HG LEU A 55 108.575 -1.446 -14.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.020 -2.302 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.920 -1.191 -13.842 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.342 -0.633 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.580 -1.952 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.903 -0.283 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.736 -0.594 -13.171 1.00 0.00 H new ATOM 890 N ARG A 56 106.790 3.021 -15.106 1.00 0.00 N ATOM 891 CA ARG A 56 106.681 4.512 -15.134 1.00 0.00 C ATOM 892 C ARG A 56 105.872 5.004 -13.924 1.00 0.00 C ATOM 893 O ARG A 56 105.117 4.255 -13.331 1.00 0.00 O ATOM 894 CB ARG A 56 105.967 4.840 -16.458 1.00 0.00 C ATOM 895 CG ARG A 56 104.498 4.384 -16.410 1.00 0.00 C ATOM 896 CD ARG A 56 104.043 3.929 -17.801 1.00 0.00 C ATOM 897 NE ARG A 56 104.131 5.146 -18.673 1.00 0.00 N ATOM 898 CZ ARG A 56 104.132 5.049 -19.989 1.00 0.00 C ATOM 899 NH1 ARG A 56 104.049 3.887 -20.596 1.00 0.00 N ATOM 900 NH2 ARG A 56 104.214 6.137 -20.706 1.00 0.00 N ATOM 0 H ARG A 56 105.997 2.540 -14.682 1.00 0.00 H new ATOM 0 HA ARG A 56 107.652 5.003 -15.077 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.014 5.913 -16.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.479 4.348 -17.285 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.386 3.567 -15.697 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.866 5.201 -16.061 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.679 3.129 -18.179 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.025 3.540 -17.773 1.00 0.00 H new ATOM 0 HE ARG A 56 104.191 6.068 -18.240 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.981 3.029 -20.048 1.00 0.00 H new ATOM 0 HH12 ARG A 56 104.052 3.843 -21.615 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.276 7.046 -20.248 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.216 6.078 -21.724 1.00 0.00 H new ATOM 914 N ILE A 57 106.027 6.253 -13.559 1.00 0.00 N ATOM 915 CA ILE A 57 105.189 6.831 -12.462 1.00 0.00 C ATOM 916 C ILE A 57 104.231 7.873 -13.052 1.00 0.00 C ATOM 917 O ILE A 57 104.639 8.753 -13.786 1.00 0.00 O ATOM 918 CB ILE A 57 106.178 7.481 -11.481 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.159 6.421 -10.955 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.409 8.082 -10.298 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.286 7.099 -10.170 1.00 0.00 C ATOM 0 H ILE A 57 106.699 6.899 -13.974 1.00 0.00 H new ATOM 0 HA ILE A 57 104.581 6.079 -11.958 1.00 0.00 H new ATOM 0 HB ILE A 57 106.730 8.266 -11.999 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.634 5.712 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.574 5.852 -11.787 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.112 8.542 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.712 8.837 -10.663 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.856 7.295 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.978 6.342 -9.800 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.819 7.790 -10.823 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.864 7.648 -9.328 1.00 0.00 H new ATOM 933 N LEU A 58 102.962 7.775 -12.735 1.00 0.00 N ATOM 934 CA LEU A 58 101.949 8.666 -13.389 1.00 0.00 C ATOM 935 C LEU A 58 101.998 10.074 -12.772 1.00 0.00 C ATOM 936 O LEU A 58 102.356 10.223 -11.620 1.00 0.00 O ATOM 937 CB LEU A 58 100.590 8.009 -13.124 1.00 0.00 C ATOM 938 CG LEU A 58 100.534 6.641 -13.810 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.389 5.818 -13.217 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.306 6.826 -15.312 1.00 0.00 C ATOM 0 H LEU A 58 102.583 7.118 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 58 102.138 8.780 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.434 7.895 -12.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.788 8.646 -13.497 1.00 0.00 H new ATOM 0 HG LEU A 58 101.478 6.119 -13.650 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.350 4.844 -13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.555 5.681 -12.148 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.446 6.341 -13.374 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.267 5.851 -15.797 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.365 7.351 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.124 7.409 -15.735 1.00 0.00 H new