USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 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= -0.345 X(o=-0.34,f=-0.0095) USER MOD Single : A 12 GLN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0168) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0837 K(o=-0.084,f=-1.1) 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= -0.082 X(o=-0.082,f=-0.46) 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) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00185) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0368 X(o=-0.037,f=-0.29) USER MOD Single : A 53 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.041) USER MOD Single : A 55 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0225 K(o=-0.022,f=-0.61) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -85:sc= 0.457 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.135 (180deg=-0.519) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 6.865 42.096 -9.718 1.00 0.00 N ATOM 140 CA ASN A 11 7.673 41.090 -9.039 1.00 0.00 C ATOM 141 C ASN A 11 6.803 40.196 -8.160 1.00 0.00 C ATOM 142 O ASN A 11 7.144 39.042 -7.902 1.00 0.00 O ATOM 143 CB ASN A 11 8.754 41.760 -8.190 1.00 0.00 C ATOM 144 CG ASN A 11 9.862 42.362 -9.033 1.00 0.00 C ATOM 145 OD1 ASN A 11 10.215 43.530 -8.873 1.00 0.00 O ATOM 146 ND2 ASN A 11 10.415 41.564 -9.940 1.00 0.00 N ATOM 0 HA ASN A 11 8.150 40.471 -9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.301 42.541 -7.580 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.180 41.027 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.164 41.913 -10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.091 40.602 -10.038 1.00 0.00 H new ATOM 153 N GLN A 12 5.678 40.738 -7.705 1.00 0.00 N ATOM 154 CA GLN A 12 4.759 39.989 -6.856 1.00 0.00 C ATOM 155 C GLN A 12 4.346 38.680 -7.521 1.00 0.00 C ATOM 156 O GLN A 12 4.201 37.654 -6.857 1.00 0.00 O ATOM 157 CB GLN A 12 3.518 40.830 -6.545 1.00 0.00 C ATOM 158 CG GLN A 12 3.832 42.138 -5.838 1.00 0.00 C ATOM 159 CD GLN A 12 3.778 42.012 -4.327 1.00 0.00 C ATOM 160 OE1 GLN A 12 3.482 40.943 -3.792 1.00 0.00 O ATOM 161 NE2 GLN A 12 4.067 43.105 -3.632 1.00 0.00 N ATOM 0 H GLN A 12 5.381 41.692 -7.910 1.00 0.00 H new ATOM 0 HA GLN A 12 5.275 39.755 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.993 41.046 -7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.839 40.245 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.824 42.478 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.123 42.901 -6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.307 43.969 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.049 43.081 -2.612 1.00 0.00 H new ATOM 170 N VAL A 13 4.159 38.723 -8.836 1.00 0.00 N ATOM 171 CA VAL A 13 3.763 37.541 -9.591 1.00 0.00 C ATOM 172 C VAL A 13 4.871 36.493 -9.590 1.00 0.00 C ATOM 173 O VAL A 13 4.609 35.300 -9.442 1.00 0.00 O ATOM 174 CB VAL A 13 3.411 37.897 -11.048 1.00 0.00 C ATOM 175 CG1 VAL A 13 3.030 36.646 -11.826 1.00 0.00 C ATOM 176 CG2 VAL A 13 2.288 38.922 -11.088 1.00 0.00 C ATOM 0 H VAL A 13 4.276 39.564 -9.401 1.00 0.00 H new ATOM 0 HA VAL A 13 2.879 37.133 -9.101 1.00 0.00 H new ATOM 0 HB VAL A 13 4.290 38.336 -11.520 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.785 36.917 -12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.867 35.948 -11.825 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.165 36.176 -11.358 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.052 39.162 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.404 38.512 -10.600 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.603 39.827 -10.568 1.00 0.00 H new ATOM 186 N ASN A 14 6.109 36.947 -9.755 1.00 0.00 N ATOM 187 CA ASN A 14 7.257 36.049 -9.773 1.00 0.00 C ATOM 188 C ASN A 14 7.419 35.347 -8.427 1.00 0.00 C ATOM 189 O ASN A 14 7.554 34.124 -8.366 1.00 0.00 O ATOM 190 CB ASN A 14 8.531 36.823 -10.113 1.00 0.00 C ATOM 191 CG ASN A 14 8.528 37.345 -11.537 1.00 0.00 C ATOM 192 OD1 ASN A 14 7.820 38.300 -11.857 1.00 0.00 O ATOM 193 ND2 ASN A 14 9.321 36.719 -12.399 1.00 0.00 N ATOM 0 H ASN A 14 6.343 37.932 -9.878 1.00 0.00 H new ATOM 0 HA ASN A 14 7.084 35.293 -10.539 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.640 37.659 -9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.396 36.176 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.361 37.026 -13.371 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.891 35.932 -12.089 1.00 0.00 H new ATOM 200 N ASP A 15 7.404 36.128 -7.353 1.00 0.00 N ATOM 201 CA ASP A 15 7.547 35.581 -6.009 1.00 0.00 C ATOM 202 C ASP A 15 6.361 34.689 -5.656 1.00 0.00 C ATOM 203 O ASP A 15 6.532 33.610 -5.089 1.00 0.00 O ATOM 204 CB ASP A 15 7.672 36.712 -4.986 1.00 0.00 C ATOM 205 CG ASP A 15 9.063 36.801 -4.389 1.00 0.00 C ATOM 206 OD1 ASP A 15 9.701 35.742 -4.212 1.00 0.00 O ATOM 207 OD2 ASP A 15 9.513 37.929 -4.097 1.00 0.00 O ATOM 0 H ASP A 15 7.294 37.142 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 15 8.454 34.976 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.424 37.660 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.946 36.558 -4.188 1.00 0.00 H new ATOM 212 N GLU A 16 5.160 35.149 -5.993 1.00 0.00 N ATOM 213 CA GLU A 16 3.946 34.392 -5.709 1.00 0.00 C ATOM 214 C GLU A 16 3.978 33.033 -6.403 1.00 0.00 C ATOM 215 O GLU A 16 3.718 32.001 -5.783 1.00 0.00 O ATOM 216 CB GLU A 16 2.712 35.178 -6.158 1.00 0.00 C ATOM 217 CG GLU A 16 2.203 36.158 -5.116 1.00 0.00 C ATOM 218 CD GLU A 16 0.756 35.908 -4.736 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.431 34.760 -4.369 1.00 0.00 O ATOM 220 OE2 GLU A 16 -0.049 36.859 -4.807 1.00 0.00 O ATOM 0 H GLU A 16 5.002 36.041 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 16 3.892 34.230 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.951 35.723 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.915 34.477 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.826 36.090 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.304 37.174 -5.498 1.00 0.00 H new ATOM 227 N LEU A 17 4.296 33.041 -7.693 1.00 0.00 N ATOM 228 CA LEU A 17 4.361 31.810 -8.472 1.00 0.00 C ATOM 229 C LEU A 17 5.546 30.953 -8.039 1.00 0.00 C ATOM 230 O LEU A 17 5.515 29.728 -8.156 1.00 0.00 O ATOM 231 CB LEU A 17 4.469 32.132 -9.963 1.00 0.00 C ATOM 232 CG LEU A 17 5.887 32.262 -10.521 1.00 0.00 C ATOM 233 CD1 LEU A 17 6.400 30.911 -10.997 1.00 0.00 C ATOM 234 CD2 LEU A 17 5.924 33.277 -11.654 1.00 0.00 C ATOM 0 H LEU A 17 4.513 33.886 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 17 3.445 31.248 -8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.951 31.352 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.939 33.065 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 17 6.539 32.615 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.410 31.024 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.412 30.211 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.746 30.529 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.941 33.356 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.258 32.954 -12.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.600 34.249 -11.282 1.00 0.00 H new ATOM 246 N ASN A 18 6.589 31.605 -7.536 1.00 0.00 N ATOM 247 CA ASN A 18 7.784 30.902 -7.083 1.00 0.00 C ATOM 248 C ASN A 18 7.476 30.030 -5.869 1.00 0.00 C ATOM 249 O ASN A 18 7.657 28.812 -5.903 1.00 0.00 O ATOM 250 CB ASN A 18 8.890 31.902 -6.738 1.00 0.00 C ATOM 251 CG ASN A 18 10.206 31.221 -6.417 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.598 31.120 -5.254 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.895 30.750 -7.449 1.00 0.00 N ATOM 0 H ASN A 18 6.631 32.619 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 18 8.125 30.258 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.032 32.585 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.578 32.504 -5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.788 30.282 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.531 30.856 -8.396 1.00 0.00 H new ATOM 260 N LYS A 19 7.008 30.662 -4.798 1.00 0.00 N ATOM 261 CA LYS A 19 6.671 29.946 -3.573 1.00 0.00 C ATOM 262 C LYS A 19 5.540 28.952 -3.818 1.00 0.00 C ATOM 263 O LYS A 19 5.622 27.792 -3.414 1.00 0.00 O ATOM 264 CB LYS A 19 6.270 30.932 -2.474 1.00 0.00 C ATOM 265 CG LYS A 19 7.287 32.037 -2.247 1.00 0.00 C ATOM 266 CD LYS A 19 6.626 33.404 -2.199 1.00 0.00 C ATOM 267 CE LYS A 19 7.614 34.514 -2.522 1.00 0.00 C ATOM 268 NZ LYS A 19 8.726 34.571 -1.533 1.00 0.00 N ATOM 0 H LYS A 19 6.853 31.669 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 19 7.553 29.393 -3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.311 31.380 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.126 30.385 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.819 31.856 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.029 32.019 -3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.799 33.434 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.202 33.570 -1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.023 34.357 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.093 35.471 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.321 35.401 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.333 34.644 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.301 33.708 -1.607 1.00 0.00 H new ATOM 282 N MET A 20 4.486 29.415 -4.481 1.00 0.00 N ATOM 283 CA MET A 20 3.340 28.565 -4.781 1.00 0.00 C ATOM 284 C MET A 20 3.776 27.299 -5.513 1.00 0.00 C ATOM 285 O MET A 20 3.451 26.188 -5.097 1.00 0.00 O ATOM 286 CB MET A 20 2.318 29.329 -5.626 1.00 0.00 C ATOM 287 CG MET A 20 1.051 28.540 -5.909 1.00 0.00 C ATOM 288 SD MET A 20 -0.440 29.406 -5.384 1.00 0.00 S ATOM 289 CE MET A 20 -1.212 29.742 -6.965 1.00 0.00 C ATOM 0 H MET A 20 4.402 30.373 -4.821 1.00 0.00 H new ATOM 0 HA MET A 20 2.878 28.276 -3.837 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.053 30.253 -5.113 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.780 29.611 -6.572 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.988 28.332 -6.977 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.106 27.578 -5.400 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.149 30.276 -6.806 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.545 30.353 -7.573 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.413 28.802 -7.479 1.00 0.00 H new ATOM 299 N GLN A 21 4.515 27.478 -6.603 1.00 0.00 N ATOM 300 CA GLN A 21 4.996 26.349 -7.393 1.00 0.00 C ATOM 301 C GLN A 21 5.879 25.435 -6.552 1.00 0.00 C ATOM 302 O GLN A 21 5.815 24.211 -6.672 1.00 0.00 O ATOM 303 CB GLN A 21 5.771 26.847 -8.613 1.00 0.00 C ATOM 304 CG GLN A 21 4.881 27.381 -9.723 1.00 0.00 C ATOM 305 CD GLN A 21 4.614 26.352 -10.804 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.641 25.148 -10.551 1.00 0.00 O ATOM 307 NE2 GLN A 21 4.354 26.822 -12.018 1.00 0.00 N ATOM 0 H GLN A 21 4.794 28.392 -6.959 1.00 0.00 H new ATOM 0 HA GLN A 21 4.131 25.778 -7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.459 27.633 -8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.377 26.031 -9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.933 27.709 -9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.350 28.258 -10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.342 27.828 -12.183 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.166 26.177 -12.785 1.00 0.00 H new ATOM 316 N ALA A 22 6.705 26.036 -5.701 1.00 0.00 N ATOM 317 CA ALA A 22 7.602 25.274 -4.839 1.00 0.00 C ATOM 318 C ALA A 22 6.818 24.444 -3.829 1.00 0.00 C ATOM 319 O ALA A 22 7.117 23.270 -3.611 1.00 0.00 O ATOM 320 CB ALA A 22 8.565 26.210 -4.124 1.00 0.00 C ATOM 0 H ALA A 22 6.772 27.048 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 22 8.175 24.589 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.229 25.629 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.156 26.756 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.001 26.917 -3.515 1.00 0.00 H new ATOM 326 N PHE A 23 5.814 25.061 -3.214 1.00 0.00 N ATOM 327 CA PHE A 23 4.988 24.379 -2.225 1.00 0.00 C ATOM 328 C PHE A 23 4.269 23.186 -2.846 1.00 0.00 C ATOM 329 O PHE A 23 4.260 22.091 -2.283 1.00 0.00 O ATOM 330 CB PHE A 23 3.967 25.349 -1.626 1.00 0.00 C ATOM 331 CG PHE A 23 4.587 26.429 -0.787 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.595 26.130 0.117 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.162 27.742 -0.899 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.167 27.122 0.891 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.730 28.738 -0.127 1.00 0.00 C ATOM 336 CZ PHE A 23 5.734 28.428 0.769 1.00 0.00 C ATOM 0 H PHE A 23 5.553 26.032 -3.383 1.00 0.00 H new ATOM 0 HA PHE A 23 5.641 24.014 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.398 25.809 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.259 24.788 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.937 25.111 0.217 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.377 27.991 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.952 26.876 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.389 29.758 -0.225 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.180 29.205 1.373 1.00 0.00 H new ATOM 346 N ILE A 24 3.669 23.405 -4.011 1.00 0.00 N ATOM 347 CA ILE A 24 2.948 22.349 -4.709 1.00 0.00 C ATOM 348 C ILE A 24 3.907 21.299 -5.259 1.00 0.00 C ATOM 349 O ILE A 24 3.548 20.131 -5.403 1.00 0.00 O ATOM 350 CB ILE A 24 2.104 22.914 -5.869 1.00 0.00 C ATOM 351 CG1 ILE A 24 3.011 23.538 -6.931 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.107 23.937 -5.347 1.00 0.00 C ATOM 353 CD1 ILE A 24 2.262 24.043 -8.144 1.00 0.00 C ATOM 0 H ILE A 24 3.668 24.305 -4.491 1.00 0.00 H new ATOM 0 HA ILE A 24 2.284 21.885 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 24 1.549 22.096 -6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.564 24.365 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.746 22.799 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.518 24.327 -6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.444 23.463 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.643 24.755 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.968 24.472 -8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.731 23.215 -8.614 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.546 24.806 -7.838 1.00 0.00 H new ATOM 365 N ARG A 25 5.129 21.723 -5.561 1.00 0.00 N ATOM 366 CA ARG A 25 6.142 20.820 -6.094 1.00 0.00 C ATOM 367 C ARG A 25 6.573 19.804 -5.040 1.00 0.00 C ATOM 368 O ARG A 25 6.628 18.603 -5.305 1.00 0.00 O ATOM 369 CB ARG A 25 7.357 21.612 -6.582 1.00 0.00 C ATOM 370 CG ARG A 25 7.344 21.887 -8.077 1.00 0.00 C ATOM 371 CD ARG A 25 8.610 22.600 -8.523 1.00 0.00 C ATOM 372 NE ARG A 25 9.625 21.665 -9.002 1.00 0.00 N ATOM 373 CZ ARG A 25 9.592 21.095 -10.201 1.00 0.00 C ATOM 374 NH1 ARG A 25 8.601 21.364 -11.040 1.00 0.00 N ATOM 375 NH2 ARG A 25 10.552 20.255 -10.565 1.00 0.00 N ATOM 0 H ARG A 25 5.442 22.687 -5.446 1.00 0.00 H new ATOM 0 HA ARG A 25 5.706 20.282 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.401 22.561 -6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.264 21.062 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.244 20.947 -8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.475 22.495 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.367 23.308 -9.315 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.013 23.178 -7.691 1.00 0.00 H new ATOM 0 HE ARG A 25 10.402 21.437 -8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.861 22.010 -10.765 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.578 20.925 -11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.317 20.046 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.525 19.818 -11.486 1.00 0.00 H new ATOM 389 N LYS A 26 6.879 20.295 -3.844 1.00 0.00 N ATOM 390 CA LYS A 26 7.305 19.432 -2.748 1.00 0.00 C ATOM 391 C LYS A 26 6.140 18.595 -2.231 1.00 0.00 C ATOM 392 O LYS A 26 6.275 17.390 -2.022 1.00 0.00 O ATOM 393 CB LYS A 26 7.890 20.270 -1.609 1.00 0.00 C ATOM 394 CG LYS A 26 9.159 19.686 -1.014 1.00 0.00 C ATOM 395 CD LYS A 26 9.004 19.413 0.473 1.00 0.00 C ATOM 396 CE LYS A 26 10.343 19.474 1.193 1.00 0.00 C ATOM 397 NZ LYS A 26 10.466 18.407 2.224 1.00 0.00 N ATOM 0 H LYS A 26 6.840 21.287 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 26 8.074 18.758 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.100 21.274 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.143 20.370 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.411 18.760 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.988 20.376 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.322 20.143 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.556 18.430 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.150 19.373 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.458 20.450 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.392 18.482 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.711 18.518 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.382 17.475 1.771 1.00 0.00 H new ATOM 411 N GLU A 27 4.996 19.242 -2.027 1.00 0.00 N ATOM 412 CA GLU A 27 3.808 18.555 -1.535 1.00 0.00 C ATOM 413 C GLU A 27 3.398 17.431 -2.482 1.00 0.00 C ATOM 414 O GLU A 27 3.135 16.308 -2.050 1.00 0.00 O ATOM 415 CB GLU A 27 2.652 19.545 -1.369 1.00 0.00 C ATOM 416 CG GLU A 27 1.536 19.032 -0.475 1.00 0.00 C ATOM 417 CD GLU A 27 0.379 20.007 -0.369 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.394 20.117 -1.344 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.246 20.658 0.688 1.00 0.00 O ATOM 0 H GLU A 27 4.867 20.240 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 27 4.047 18.120 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.039 20.476 -0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.241 19.779 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.171 18.082 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.934 18.836 0.521 1.00 0.00 H new ATOM 426 N ALA A 28 3.346 17.741 -3.772 1.00 0.00 N ATOM 427 CA ALA A 28 2.970 16.757 -4.780 1.00 0.00 C ATOM 428 C ALA A 28 4.017 15.653 -4.887 1.00 0.00 C ATOM 429 O ALA A 28 3.683 14.470 -4.920 1.00 0.00 O ATOM 430 CB ALA A 28 2.772 17.433 -6.129 1.00 0.00 C ATOM 0 H ALA A 28 3.559 18.666 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 28 2.029 16.300 -4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.492 16.687 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.982 18.180 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.700 17.917 -6.433 1.00 0.00 H new ATOM 436 N GLU A 29 5.285 16.051 -4.943 1.00 0.00 N ATOM 437 CA GLU A 29 6.381 15.094 -5.048 1.00 0.00 C ATOM 438 C GLU A 29 6.396 14.150 -3.848 1.00 0.00 C ATOM 439 O GLU A 29 6.586 12.944 -3.998 1.00 0.00 O ATOM 440 CB GLU A 29 7.720 15.827 -5.152 1.00 0.00 C ATOM 441 CG GLU A 29 8.905 14.902 -5.369 1.00 0.00 C ATOM 442 CD GLU A 29 9.822 14.837 -4.162 1.00 0.00 C ATOM 443 OE1 GLU A 29 9.372 14.363 -3.098 1.00 0.00 O ATOM 444 OE2 GLU A 29 10.991 15.260 -4.284 1.00 0.00 O ATOM 0 H GLU A 29 5.578 17.028 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 29 6.228 14.503 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.671 16.540 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.881 16.403 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.542 13.900 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.473 15.242 -6.235 1.00 0.00 H new ATOM 451 N GLU A 30 6.196 14.711 -2.660 1.00 0.00 N ATOM 452 CA GLU A 30 6.188 13.920 -1.435 1.00 0.00 C ATOM 453 C GLU A 30 5.012 12.948 -1.421 1.00 0.00 C ATOM 454 O GLU A 30 5.172 11.763 -1.127 1.00 0.00 O ATOM 455 CB GLU A 30 6.121 14.835 -0.211 1.00 0.00 C ATOM 456 CG GLU A 30 6.353 14.110 1.104 1.00 0.00 C ATOM 457 CD GLU A 30 5.906 14.923 2.305 1.00 0.00 C ATOM 458 OE1 GLU A 30 6.553 15.948 2.602 1.00 0.00 O ATOM 459 OE2 GLU A 30 4.907 14.532 2.946 1.00 0.00 O ATOM 0 H GLU A 30 6.038 15.709 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 30 7.113 13.344 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.865 15.625 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.145 15.319 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.816 13.162 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.413 13.875 1.203 1.00 0.00 H new ATOM 466 N LYS A 31 3.827 13.458 -1.741 1.00 0.00 N ATOM 467 CA LYS A 31 2.622 12.638 -1.767 1.00 0.00 C ATOM 468 C LYS A 31 2.755 11.509 -2.785 1.00 0.00 C ATOM 469 O LYS A 31 2.457 10.352 -2.485 1.00 0.00 O ATOM 470 CB LYS A 31 1.401 13.499 -2.102 1.00 0.00 C ATOM 471 CG LYS A 31 0.084 12.880 -1.669 1.00 0.00 C ATOM 472 CD LYS A 31 -0.474 13.566 -0.432 1.00 0.00 C ATOM 473 CE LYS A 31 -1.432 14.688 -0.802 1.00 0.00 C ATOM 474 NZ LYS A 31 -1.457 15.759 0.232 1.00 0.00 N ATOM 0 H LYS A 31 3.676 14.437 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 31 2.489 12.199 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.510 14.472 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.374 13.674 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.638 12.951 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.229 11.819 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.991 12.835 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.346 13.968 0.164 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.138 15.115 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.436 14.282 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.121 16.505 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.762 15.357 1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.505 16.164 0.335 1.00 0.00 H new ATOM 488 N ALA A 32 3.205 11.851 -3.987 1.00 0.00 N ATOM 489 CA ALA A 32 3.380 10.866 -5.046 1.00 0.00 C ATOM 490 C ALA A 32 4.382 9.791 -4.636 1.00 0.00 C ATOM 491 O ALA A 32 4.143 8.598 -4.828 1.00 0.00 O ATOM 492 CB ALA A 32 3.829 11.545 -6.332 1.00 0.00 C ATOM 0 H ALA A 32 3.455 12.804 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 32 2.418 10.383 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.955 10.796 -7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.077 12.270 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.777 12.056 -6.162 1.00 0.00 H new ATOM 498 N LYS A 33 5.505 10.221 -4.071 1.00 0.00 N ATOM 499 CA LYS A 33 6.545 9.297 -3.632 1.00 0.00 C ATOM 500 C LYS A 33 6.041 8.411 -2.498 1.00 0.00 C ATOM 501 O LYS A 33 6.368 7.226 -2.432 1.00 0.00 O ATOM 502 CB LYS A 33 7.785 10.070 -3.179 1.00 0.00 C ATOM 503 CG LYS A 33 9.000 9.189 -2.949 1.00 0.00 C ATOM 504 CD LYS A 33 10.164 9.599 -3.836 1.00 0.00 C ATOM 505 CE LYS A 33 11.487 9.079 -3.297 1.00 0.00 C ATOM 506 NZ LYS A 33 12.643 9.862 -3.814 1.00 0.00 N ATOM 0 H LYS A 33 5.719 11.205 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 33 6.811 8.660 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.029 10.822 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.554 10.603 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.300 9.248 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.739 8.149 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.006 9.217 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.202 10.686 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.477 9.122 -2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.605 8.031 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.526 9.476 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.668 9.801 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.544 10.857 -3.528 1.00 0.00 H new ATOM 520 N GLU A 34 5.245 8.994 -1.606 1.00 0.00 N ATOM 521 CA GLU A 34 4.697 8.255 -0.475 1.00 0.00 C ATOM 522 C GLU A 34 3.766 7.143 -0.950 1.00 0.00 C ATOM 523 O GLU A 34 3.870 6.001 -0.503 1.00 0.00 O ATOM 524 CB GLU A 34 3.943 9.201 0.463 1.00 0.00 C ATOM 525 CG GLU A 34 4.637 9.414 1.798 1.00 0.00 C ATOM 526 CD GLU A 34 3.686 9.893 2.878 1.00 0.00 C ATOM 527 OE1 GLU A 34 2.540 10.256 2.542 1.00 0.00 O ATOM 528 OE2 GLU A 34 4.089 9.906 4.060 1.00 0.00 O ATOM 0 H GLU A 34 4.966 9.974 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 34 5.527 7.802 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.818 10.165 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.944 8.803 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.101 8.480 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.438 10.143 1.675 1.00 0.00 H new ATOM 535 N ILE A 35 2.858 7.487 -1.857 1.00 0.00 N ATOM 536 CA ILE A 35 1.910 6.518 -2.393 1.00 0.00 C ATOM 537 C ILE A 35 2.609 5.506 -3.293 1.00 0.00 C ATOM 538 O ILE A 35 2.223 4.338 -3.345 1.00 0.00 O ATOM 539 CB ILE A 35 0.789 7.210 -3.191 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.046 8.211 -2.304 1.00 0.00 C ATOM 541 CG2 ILE A 35 -0.174 6.177 -3.756 1.00 0.00 C ATOM 542 CD1 ILE A 35 -0.675 7.567 -1.139 1.00 0.00 C ATOM 0 H ILE A 35 2.759 8.429 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 35 1.471 6.000 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 35 1.237 7.753 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.757 8.943 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.676 8.756 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.961 6.681 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.366 5.499 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.619 5.609 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.179 8.336 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.411 6.856 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.045 7.045 -0.509 1.00 0.00 H new ATOM 554 N GLN A 36 3.639 5.960 -3.999 1.00 0.00 N ATOM 555 CA GLN A 36 4.392 5.092 -4.896 1.00 0.00 C ATOM 556 C GLN A 36 5.219 4.081 -4.109 1.00 0.00 C ATOM 557 O GLN A 36 5.217 2.888 -4.418 1.00 0.00 O ATOM 558 CB GLN A 36 5.307 5.925 -5.797 1.00 0.00 C ATOM 559 CG GLN A 36 5.875 5.147 -6.973 1.00 0.00 C ATOM 560 CD GLN A 36 7.391 5.135 -6.987 1.00 0.00 C ATOM 561 OE1 GLN A 36 8.032 5.038 -5.940 1.00 0.00 O ATOM 562 NE2 GLN A 36 7.972 5.234 -8.177 1.00 0.00 N ATOM 0 H GLN A 36 3.971 6.924 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 36 3.680 4.548 -5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.749 6.782 -6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.130 6.318 -5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.508 4.121 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.510 5.584 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.401 5.312 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.989 5.232 -8.250 1.00 0.00 H new ATOM 571 N LEU A 37 5.923 4.563 -3.092 1.00 0.00 N ATOM 572 CA LEU A 37 6.755 3.701 -2.259 1.00 0.00 C ATOM 573 C LEU A 37 5.895 2.797 -1.382 1.00 0.00 C ATOM 574 O LEU A 37 6.266 1.661 -1.091 1.00 0.00 O ATOM 575 CB LEU A 37 7.684 4.545 -1.385 1.00 0.00 C ATOM 576 CG LEU A 37 7.075 5.101 -0.098 1.00 0.00 C ATOM 577 CD1 LEU A 37 7.246 4.111 1.044 1.00 0.00 C ATOM 578 CD2 LEU A 37 7.703 6.440 0.256 1.00 0.00 C ATOM 0 H LEU A 37 5.935 5.547 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 37 7.356 3.073 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.551 3.939 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.050 5.381 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 37 6.009 5.256 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.807 4.524 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.747 3.175 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.307 3.924 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.256 6.820 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.776 6.312 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.527 7.149 -0.553 1.00 0.00 H new ATOM 590 N LYS A 38 4.742 3.310 -0.965 1.00 0.00 N ATOM 591 CA LYS A 38 3.825 2.549 -0.123 1.00 0.00 C ATOM 592 C LYS A 38 3.175 1.417 -0.913 1.00 0.00 C ATOM 593 O LYS A 38 3.127 0.277 -0.453 1.00 0.00 O ATOM 594 CB LYS A 38 2.747 3.469 0.453 1.00 0.00 C ATOM 595 CG LYS A 38 3.191 4.225 1.694 1.00 0.00 C ATOM 596 CD LYS A 38 2.553 3.655 2.951 1.00 0.00 C ATOM 597 CE LYS A 38 1.135 4.171 3.139 1.00 0.00 C ATOM 598 NZ LYS A 38 0.890 4.616 4.539 1.00 0.00 N ATOM 0 H LYS A 38 4.420 4.250 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 38 4.398 2.114 0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.447 4.186 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.866 2.875 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.276 4.177 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.925 5.277 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.541 2.567 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.156 3.921 3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.957 5.002 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.425 3.387 2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.087 4.961 4.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.035 3.816 5.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.551 5.382 4.780 1.00 0.00 H new ATOM 612 N ALA A 39 2.677 1.741 -2.101 1.00 0.00 N ATOM 613 CA ALA A 39 2.033 0.750 -2.954 1.00 0.00 C ATOM 614 C ALA A 39 3.040 -0.280 -3.457 1.00 0.00 C ATOM 615 O ALA A 39 2.760 -1.479 -3.472 1.00 0.00 O ATOM 616 CB ALA A 39 1.344 1.432 -4.127 1.00 0.00 C ATOM 0 H ALA A 39 2.707 2.681 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 39 1.284 0.227 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.867 0.680 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.589 2.124 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.081 1.981 -4.713 1.00 0.00 H new ATOM 622 N ASP A 40 4.210 0.196 -3.867 1.00 0.00 N ATOM 623 CA ASP A 40 5.259 -0.685 -4.369 1.00 0.00 C ATOM 624 C ASP A 40 5.776 -1.600 -3.264 1.00 0.00 C ATOM 625 O ASP A 40 5.987 -2.793 -3.481 1.00 0.00 O ATOM 626 CB ASP A 40 6.411 0.138 -4.948 1.00 0.00 C ATOM 627 CG ASP A 40 6.095 0.689 -6.324 1.00 0.00 C ATOM 628 OD1 ASP A 40 5.426 -0.017 -7.107 1.00 0.00 O ATOM 629 OD2 ASP A 40 6.518 1.828 -6.619 1.00 0.00 O ATOM 0 H ASP A 40 4.456 1.186 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 40 4.832 -1.304 -5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.639 0.963 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.305 -0.483 -5.005 1.00 0.00 H new ATOM 634 N GLN A 41 5.978 -1.033 -2.079 1.00 0.00 N ATOM 635 CA GLN A 41 6.473 -1.798 -0.940 1.00 0.00 C ATOM 636 C GLN A 41 5.459 -2.855 -0.513 1.00 0.00 C ATOM 637 O GLN A 41 5.817 -4.004 -0.259 1.00 0.00 O ATOM 638 CB GLN A 41 6.780 -0.866 0.233 1.00 0.00 C ATOM 639 CG GLN A 41 7.372 -1.580 1.438 1.00 0.00 C ATOM 640 CD GLN A 41 8.389 -0.732 2.177 1.00 0.00 C ATOM 641 OE1 GLN A 41 8.035 0.241 2.844 1.00 0.00 O ATOM 642 NE2 GLN A 41 9.660 -1.098 2.062 1.00 0.00 N ATOM 0 H GLN A 41 5.807 -0.047 -1.882 1.00 0.00 H new ATOM 0 HA GLN A 41 7.391 -2.302 -1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.474 -0.094 -0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.862 -0.361 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.570 -1.857 2.122 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.845 -2.506 1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.907 -1.911 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.389 -0.566 2.537 1.00 0.00 H new ATOM 651 N GLU A 42 4.193 -2.457 -0.437 1.00 0.00 N ATOM 652 CA GLU A 42 3.129 -3.371 -0.039 1.00 0.00 C ATOM 653 C GLU A 42 2.910 -4.446 -1.101 1.00 0.00 C ATOM 654 O GLU A 42 2.578 -5.588 -0.782 1.00 0.00 O ATOM 655 CB GLU A 42 1.827 -2.600 0.196 1.00 0.00 C ATOM 656 CG GLU A 42 0.870 -3.300 1.146 1.00 0.00 C ATOM 657 CD GLU A 42 1.175 -3.011 2.602 1.00 0.00 C ATOM 658 OE1 GLU A 42 1.314 -1.820 2.953 1.00 0.00 O ATOM 659 OE2 GLU A 42 1.274 -3.973 3.392 1.00 0.00 O ATOM 0 H GLU A 42 3.880 -1.509 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 42 3.430 -3.857 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.065 -1.614 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.328 -2.445 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.150 -2.987 0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.917 -4.376 0.976 1.00 0.00 H new ATOM 666 N TYR A 43 3.098 -4.072 -2.361 1.00 0.00 N ATOM 667 CA TYR A 43 2.918 -5.003 -3.469 1.00 0.00 C ATOM 668 C TYR A 43 4.001 -6.078 -3.458 1.00 0.00 C ATOM 669 O TYR A 43 3.712 -7.266 -3.593 1.00 0.00 O ATOM 670 CB TYR A 43 2.942 -4.252 -4.802 1.00 0.00 C ATOM 671 CG TYR A 43 1.567 -3.902 -5.324 1.00 0.00 C ATOM 672 CD1 TYR A 43 0.589 -3.394 -4.477 1.00 0.00 C ATOM 673 CD2 TYR A 43 1.247 -4.077 -6.664 1.00 0.00 C ATOM 674 CE1 TYR A 43 -0.669 -3.075 -4.951 1.00 0.00 C ATOM 675 CE2 TYR A 43 -0.008 -3.758 -7.146 1.00 0.00 C ATOM 676 CZ TYR A 43 -0.963 -3.257 -6.286 1.00 0.00 C ATOM 677 OH TYR A 43 -2.214 -2.938 -6.761 1.00 0.00 O ATOM 0 H TYR A 43 3.375 -3.131 -2.641 1.00 0.00 H new ATOM 0 HA TYR A 43 1.949 -5.488 -3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.520 -3.336 -4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.459 -4.861 -5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.816 -3.246 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.992 -4.469 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.419 -2.685 -4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.240 -3.900 -8.191 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.256 -3.125 -7.722 1.00 0.00 H new ATOM 687 N GLU A 44 5.250 -5.648 -3.297 1.00 0.00 N ATOM 688 CA GLU A 44 6.376 -6.574 -3.268 1.00 0.00 C ATOM 689 C GLU A 44 6.293 -7.497 -2.056 1.00 0.00 C ATOM 690 O GLU A 44 6.447 -8.713 -2.176 1.00 0.00 O ATOM 691 CB GLU A 44 7.697 -5.802 -3.246 1.00 0.00 C ATOM 692 CG GLU A 44 8.908 -6.661 -3.571 1.00 0.00 C ATOM 693 CD GLU A 44 10.214 -6.005 -3.165 1.00 0.00 C ATOM 694 OE1 GLU A 44 10.445 -4.844 -3.565 1.00 0.00 O ATOM 695 OE2 GLU A 44 11.005 -6.652 -2.448 1.00 0.00 O ATOM 0 H GLU A 44 5.506 -4.667 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 44 6.334 -7.185 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.641 -4.982 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.832 -5.356 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.815 -7.621 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.926 -6.867 -4.641 1.00 0.00 H new ATOM 702 N ILE A 45 6.047 -6.909 -0.889 1.00 0.00 N ATOM 703 CA ILE A 45 5.942 -7.678 0.345 1.00 0.00 C ATOM 704 C ILE A 45 4.763 -8.644 0.292 1.00 0.00 C ATOM 705 O ILE A 45 4.852 -9.773 0.772 1.00 0.00 O ATOM 706 CB ILE A 45 5.784 -6.758 1.569 1.00 0.00 C ATOM 707 CG1 ILE A 45 6.981 -5.812 1.682 1.00 0.00 C ATOM 708 CG2 ILE A 45 5.634 -7.585 2.838 1.00 0.00 C ATOM 709 CD1 ILE A 45 6.695 -4.568 2.493 1.00 0.00 C ATOM 0 H ILE A 45 5.917 -5.904 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 45 6.868 -8.245 0.444 1.00 0.00 H new ATOM 0 HB ILE A 45 4.883 -6.159 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.815 -6.347 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.297 -5.518 0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.523 -6.920 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.752 -8.221 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.519 -8.207 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.588 -3.945 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.882 -4.010 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.408 -4.852 3.506 1.00 0.00 H new ATOM 721 N GLU A 46 3.660 -8.191 -0.295 1.00 0.00 N ATOM 722 CA GLU A 46 2.463 -9.016 -0.410 1.00 0.00 C ATOM 723 C GLU A 46 2.700 -10.187 -1.359 1.00 0.00 C ATOM 724 O GLU A 46 2.248 -11.305 -1.109 1.00 0.00 O ATOM 725 CB GLU A 46 1.283 -8.175 -0.904 1.00 0.00 C ATOM 726 CG GLU A 46 -0.026 -8.943 -0.967 1.00 0.00 C ATOM 727 CD GLU A 46 -1.238 -8.038 -0.852 1.00 0.00 C ATOM 728 OE1 GLU A 46 -1.141 -6.863 -1.261 1.00 0.00 O ATOM 729 OE2 GLU A 46 -2.283 -8.507 -0.353 1.00 0.00 O ATOM 0 H GLU A 46 3.570 -7.258 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 46 2.229 -9.413 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.159 -7.315 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.515 -7.786 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.076 -9.493 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.050 -9.680 -0.164 1.00 0.00 H new ATOM 736 N LYS A 47 3.410 -9.924 -2.450 1.00 0.00 N ATOM 737 CA LYS A 47 3.709 -10.954 -3.437 1.00 0.00 C ATOM 738 C LYS A 47 4.626 -12.022 -2.848 1.00 0.00 C ATOM 739 O LYS A 47 4.369 -13.220 -2.982 1.00 0.00 O ATOM 740 CB LYS A 47 4.363 -10.332 -4.673 1.00 0.00 C ATOM 741 CG LYS A 47 3.983 -11.018 -5.973 1.00 0.00 C ATOM 742 CD LYS A 47 4.323 -12.499 -5.942 1.00 0.00 C ATOM 743 CE LYS A 47 4.095 -13.152 -7.297 1.00 0.00 C ATOM 744 NZ LYS A 47 5.182 -12.825 -8.261 1.00 0.00 N ATOM 0 H LYS A 47 3.790 -9.004 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 47 2.770 -11.425 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.082 -9.280 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.446 -10.367 -4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.915 -10.893 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.504 -10.541 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.364 -12.628 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.713 -12.998 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.033 -14.233 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.139 -12.822 -7.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.998 -13.302 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.214 -11.797 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.094 -13.147 -7.878 1.00 0.00 H new ATOM 758 N THR A 48 5.696 -11.582 -2.194 1.00 0.00 N ATOM 759 CA THR A 48 6.650 -12.500 -1.585 1.00 0.00 C ATOM 760 C THR A 48 6.021 -13.251 -0.416 1.00 0.00 C ATOM 761 O THR A 48 6.344 -14.411 -0.166 1.00 0.00 O ATOM 762 CB THR A 48 7.905 -11.759 -1.088 1.00 0.00 C ATOM 763 OG1 THR A 48 8.869 -12.698 -0.598 1.00 0.00 O ATOM 764 CG2 THR A 48 7.550 -10.769 0.012 1.00 0.00 C ATOM 0 H THR A 48 5.924 -10.595 -2.072 1.00 0.00 H new ATOM 0 HA THR A 48 6.940 -13.212 -2.358 1.00 0.00 H new ATOM 0 HB THR A 48 8.329 -11.209 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.664 -12.218 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.453 -10.258 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.840 -10.037 -0.373 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.103 -11.302 0.851 1.00 0.00 H new ATOM 772 N ASN A 49 5.122 -12.580 0.296 1.00 0.00 N ATOM 773 CA ASN A 49 4.446 -13.185 1.439 1.00 0.00 C ATOM 774 C ASN A 49 3.503 -14.296 0.989 1.00 0.00 C ATOM 775 O ASN A 49 3.500 -15.389 1.556 1.00 0.00 O ATOM 776 CB ASN A 49 3.667 -12.123 2.218 1.00 0.00 C ATOM 777 CG ASN A 49 2.664 -12.731 3.179 1.00 0.00 C ATOM 778 OD1 ASN A 49 2.947 -13.730 3.841 1.00 0.00 O ATOM 779 ND2 ASN A 49 1.482 -12.130 3.258 1.00 0.00 N ATOM 0 H ASN A 49 4.844 -11.618 0.102 1.00 0.00 H new ATOM 0 HA ASN A 49 5.205 -13.619 2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.366 -11.498 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.145 -11.472 1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.766 -12.494 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.291 -11.304 2.691 1.00 0.00 H new ATOM 786 N ILE A 50 2.705 -14.008 -0.033 1.00 0.00 N ATOM 787 CA ILE A 50 1.758 -14.983 -0.561 1.00 0.00 C ATOM 788 C ILE A 50 2.484 -16.175 -1.179 1.00 0.00 C ATOM 789 O ILE A 50 2.118 -17.327 -0.944 1.00 0.00 O ATOM 790 CB ILE A 50 0.833 -14.355 -1.619 1.00 0.00 C ATOM 791 CG1 ILE A 50 0.038 -13.197 -1.011 1.00 0.00 C ATOM 792 CG2 ILE A 50 -0.106 -15.405 -2.193 1.00 0.00 C ATOM 793 CD1 ILE A 50 -0.375 -12.150 -2.021 1.00 0.00 C ATOM 0 H ILE A 50 2.695 -13.108 -0.512 1.00 0.00 H new ATOM 0 HA ILE A 50 1.154 -15.324 0.280 1.00 0.00 H new ATOM 0 HB ILE A 50 1.447 -13.963 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.854 -13.594 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.638 -12.724 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.753 -14.945 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.477 -16.199 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.716 -15.824 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.934 -11.361 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.513 -11.725 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.002 -12.609 -2.785 1.00 0.00 H new ATOM 805 N VAL A 51 3.513 -15.889 -1.968 1.00 0.00 N ATOM 806 CA VAL A 51 4.292 -16.936 -2.618 1.00 0.00 C ATOM 807 C VAL A 51 5.037 -17.783 -1.592 1.00 0.00 C ATOM 808 O VAL A 51 5.086 -19.008 -1.702 1.00 0.00 O ATOM 809 CB VAL A 51 5.307 -16.345 -3.614 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.154 -17.448 -4.232 1.00 0.00 C ATOM 811 CG2 VAL A 51 4.591 -15.545 -4.692 1.00 0.00 C ATOM 0 H VAL A 51 3.827 -14.941 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 51 3.586 -17.565 -3.161 1.00 0.00 H new ATOM 0 HB VAL A 51 5.970 -15.671 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.865 -17.011 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.696 -17.974 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.508 -18.150 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.323 -15.135 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.903 -16.196 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.033 -14.731 -4.230 1.00 0.00 H new ATOM 821 N ARG A 52 5.617 -17.122 -0.596 1.00 0.00 N ATOM 822 CA ARG A 52 6.361 -17.814 0.450 1.00 0.00 C ATOM 823 C ARG A 52 5.428 -18.656 1.314 1.00 0.00 C ATOM 824 O ARG A 52 5.801 -19.730 1.782 1.00 0.00 O ATOM 825 CB ARG A 52 7.112 -16.806 1.322 1.00 0.00 C ATOM 826 CG ARG A 52 8.388 -16.281 0.685 1.00 0.00 C ATOM 827 CD ARG A 52 9.601 -17.087 1.121 1.00 0.00 C ATOM 828 NE ARG A 52 10.851 -16.493 0.654 1.00 0.00 N ATOM 829 CZ ARG A 52 12.018 -17.126 0.672 1.00 0.00 C ATOM 830 NH1 ARG A 52 12.096 -18.369 1.130 1.00 0.00 N ATOM 831 NH2 ARG A 52 13.111 -16.518 0.230 1.00 0.00 N ATOM 0 H ARG A 52 5.586 -16.108 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 52 7.081 -18.478 -0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.453 -15.966 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.358 -17.275 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.296 -16.318 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.528 -15.235 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.617 -17.157 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.517 -18.104 0.737 1.00 0.00 H new ATOM 0 HE ARG A 52 10.826 -15.539 0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.258 -18.841 1.470 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.994 -18.853 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.056 -15.563 -0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.007 -17.005 0.244 1.00 0.00 H new ATOM 845 N ASN A 53 4.212 -18.157 1.523 1.00 0.00 N ATOM 846 CA ASN A 53 3.227 -18.864 2.333 1.00 0.00 C ATOM 847 C ASN A 53 2.736 -20.120 1.620 1.00 0.00 C ATOM 848 O ASN A 53 2.663 -21.195 2.216 1.00 0.00 O ATOM 849 CB ASN A 53 2.043 -17.946 2.646 1.00 0.00 C ATOM 850 CG ASN A 53 0.997 -18.626 3.509 1.00 0.00 C ATOM 851 OD1 ASN A 53 0.983 -18.467 4.729 1.00 0.00 O ATOM 852 ND2 ASN A 53 0.114 -19.390 2.875 1.00 0.00 N ATOM 0 H ASN A 53 3.887 -17.268 1.143 1.00 0.00 H new ATOM 0 HA ASN A 53 3.706 -19.162 3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.404 -17.052 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.584 -17.619 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.613 -19.873 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.164 -19.493 1.861 1.00 0.00 H new ATOM 859 N GLU A 54 2.402 -19.976 0.341 1.00 0.00 N ATOM 860 CA GLU A 54 1.918 -21.100 -0.452 1.00 0.00 C ATOM 861 C GLU A 54 3.031 -22.116 -0.691 1.00 0.00 C ATOM 862 O GLU A 54 2.794 -23.325 -0.700 1.00 0.00 O ATOM 863 CB GLU A 54 1.365 -20.608 -1.791 1.00 0.00 C ATOM 864 CG GLU A 54 2.415 -19.971 -2.686 1.00 0.00 C ATOM 865 CD GLU A 54 1.844 -19.491 -4.006 1.00 0.00 C ATOM 866 OE1 GLU A 54 0.639 -19.715 -4.247 1.00 0.00 O ATOM 867 OE2 GLU A 54 2.600 -18.891 -4.797 1.00 0.00 O ATOM 0 H GLU A 54 2.458 -19.093 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 54 1.118 -21.587 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.912 -21.448 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.572 -19.884 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.870 -19.129 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.209 -20.693 -2.879 1.00 0.00 H new ATOM 874 N THR A 55 4.248 -21.617 -0.888 1.00 0.00 N ATOM 875 CA THR A 55 5.398 -22.479 -1.130 1.00 0.00 C ATOM 876 C THR A 55 5.761 -23.274 0.120 1.00 0.00 C ATOM 877 O THR A 55 6.026 -24.474 0.047 1.00 0.00 O ATOM 878 CB THR A 55 6.626 -21.665 -1.580 1.00 0.00 C ATOM 879 OG1 THR A 55 6.341 -20.990 -2.811 1.00 0.00 O ATOM 880 CG2 THR A 55 7.837 -22.567 -1.759 1.00 0.00 C ATOM 0 H THR A 55 4.462 -20.620 -0.885 1.00 0.00 H new ATOM 0 HA THR A 55 5.115 -23.167 -1.927 1.00 0.00 H new ATOM 0 HB THR A 55 6.851 -20.931 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.663 -20.300 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.692 -21.970 -2.077 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.069 -23.057 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.620 -23.321 -2.515 1.00 0.00 H new ATOM 888 N ASN A 56 5.770 -22.599 1.264 1.00 0.00 N ATOM 889 CA ASN A 56 6.100 -23.244 2.530 1.00 0.00 C ATOM 890 C ASN A 56 4.990 -24.197 2.961 1.00 0.00 C ATOM 891 O ASN A 56 5.253 -25.256 3.529 1.00 0.00 O ATOM 892 CB ASN A 56 6.335 -22.192 3.616 1.00 0.00 C ATOM 893 CG ASN A 56 6.756 -22.808 4.936 1.00 0.00 C ATOM 894 OD1 ASN A 56 7.707 -23.587 4.996 1.00 0.00 O ATOM 895 ND2 ASN A 56 6.045 -22.461 6.004 1.00 0.00 N ATOM 0 H ASN A 56 5.553 -21.605 1.341 1.00 0.00 H new ATOM 0 HA ASN A 56 7.014 -23.821 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.103 -21.495 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.422 -21.615 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.280 -22.844 6.920 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.264 -21.812 5.908 1.00 0.00 H new ATOM 902 N ASN A 57 3.748 -23.812 2.686 1.00 0.00 N ATOM 903 CA ASN A 57 2.597 -24.633 3.045 1.00 0.00 C ATOM 904 C ASN A 57 2.577 -25.927 2.236 1.00 0.00 C ATOM 905 O ASN A 57 2.469 -27.019 2.796 1.00 0.00 O ATOM 906 CB ASN A 57 1.299 -23.855 2.816 1.00 0.00 C ATOM 907 CG ASN A 57 0.066 -24.699 3.077 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.058 -25.326 4.130 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.853 -24.717 2.120 1.00 0.00 N ATOM 0 H ASN A 57 3.513 -22.938 2.216 1.00 0.00 H new ATOM 0 HA ASN A 57 2.679 -24.888 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.282 -22.981 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.275 -23.488 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.704 -25.266 2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.708 -24.182 1.264 1.00 0.00 H new ATOM 916 N ILE A 58 2.683 -25.796 0.919 1.00 0.00 N ATOM 917 CA ILE A 58 2.680 -26.954 0.034 1.00 0.00 C ATOM 918 C ILE A 58 3.914 -27.822 0.259 1.00 0.00 C ATOM 919 O ILE A 58 3.823 -29.048 0.312 1.00 0.00 O ATOM 920 CB ILE A 58 2.627 -26.532 -1.446 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.379 -25.688 -1.714 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.647 -27.757 -2.348 1.00 0.00 C ATOM 923 CD1 ILE A 58 1.462 -24.874 -2.985 1.00 0.00 C ATOM 0 H ILE A 58 2.772 -24.900 0.441 1.00 0.00 H new ATOM 0 HA ILE A 58 1.785 -27.529 0.272 1.00 0.00 H new ATOM 0 HB ILE A 58 3.507 -25.928 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.511 -26.345 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.217 -25.016 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.609 -27.442 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.562 -28.323 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.784 -28.385 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.543 -24.301 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.310 -24.192 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.593 -25.542 -3.837 1.00 0.00 H new ATOM 935 N ASP A 59 5.068 -27.177 0.392 1.00 0.00 N ATOM 936 CA ASP A 59 6.321 -27.888 0.614 1.00 0.00 C ATOM 937 C ASP A 59 6.302 -28.615 1.956 1.00 0.00 C ATOM 938 O ASP A 59 6.759 -29.753 2.064 1.00 0.00 O ATOM 939 CB ASP A 59 7.500 -26.916 0.563 1.00 0.00 C ATOM 940 CG ASP A 59 8.826 -27.600 0.839 1.00 0.00 C ATOM 941 OD1 ASP A 59 9.155 -28.568 0.122 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.534 -27.165 1.771 1.00 0.00 O ATOM 0 H ASP A 59 5.161 -26.162 0.350 1.00 0.00 H new ATOM 0 HA ASP A 59 6.436 -28.628 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.535 -26.443 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.345 -26.122 1.294 1.00 0.00 H new ATOM 947 N GLY A 60 5.772 -27.950 2.977 1.00 0.00 N ATOM 948 CA GLY A 60 5.705 -28.547 4.297 1.00 0.00 C ATOM 949 C GLY A 60 4.716 -29.694 4.365 1.00 0.00 C ATOM 950 O GLY A 60 4.964 -30.697 5.032 1.00 0.00 O ATOM 0 H GLY A 60 5.387 -27.007 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.694 -28.907 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.423 -27.785 5.023 1.00 0.00 H new ATOM 954 N ASN A 61 3.591 -29.545 3.674 1.00 0.00 N ATOM 955 CA ASN A 61 2.560 -30.577 3.659 1.00 0.00 C ATOM 956 C ASN A 61 3.043 -31.819 2.918 1.00 0.00 C ATOM 957 O ASN A 61 2.879 -32.943 3.394 1.00 0.00 O ATOM 958 CB ASN A 61 1.283 -30.043 3.006 1.00 0.00 C ATOM 959 CG ASN A 61 0.231 -31.119 2.829 1.00 0.00 C ATOM 960 OD1 ASN A 61 0.130 -32.043 3.636 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.559 -31.006 1.767 1.00 0.00 N ATOM 0 H ASN A 61 3.370 -28.720 3.117 1.00 0.00 H new ATOM 0 HA ASN A 61 2.344 -30.853 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.876 -29.237 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.527 -29.614 2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.285 -31.702 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.440 -30.223 1.124 1.00 0.00 H new ATOM 968 N PHE A 62 3.641 -31.609 1.750 1.00 0.00 N ATOM 969 CA PHE A 62 4.148 -32.711 0.941 1.00 0.00 C ATOM 970 C PHE A 62 5.321 -33.399 1.634 1.00 0.00 C ATOM 971 O PHE A 62 5.405 -34.627 1.665 1.00 0.00 O ATOM 972 CB PHE A 62 4.581 -32.205 -0.436 1.00 0.00 C ATOM 973 CG PHE A 62 3.441 -32.044 -1.401 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.353 -31.248 -1.082 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.458 -32.688 -2.628 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.302 -31.099 -1.967 1.00 0.00 C ATOM 977 CE2 PHE A 62 2.411 -32.542 -3.518 1.00 0.00 C ATOM 978 CZ PHE A 62 1.332 -31.746 -3.187 1.00 0.00 C ATOM 0 H PHE A 62 3.786 -30.685 1.342 1.00 0.00 H new ATOM 0 HA PHE A 62 3.344 -33.437 0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.086 -31.246 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.308 -32.899 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.326 -30.738 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.300 -33.311 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.458 -30.478 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.436 -33.050 -4.471 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.513 -31.630 -3.881 1.00 0.00 H new ATOM 988 N LYS A 63 6.225 -32.599 2.189 1.00 0.00 N ATOM 989 CA LYS A 63 7.393 -33.127 2.882 1.00 0.00 C ATOM 990 C LYS A 63 6.980 -33.905 4.128 1.00 0.00 C ATOM 991 O LYS A 63 7.514 -34.979 4.406 1.00 0.00 O ATOM 992 CB LYS A 63 8.340 -31.990 3.269 1.00 0.00 C ATOM 993 CG LYS A 63 9.191 -31.488 2.115 1.00 0.00 C ATOM 994 CD LYS A 63 10.167 -30.415 2.567 1.00 0.00 C ATOM 995 CE LYS A 63 11.411 -31.022 3.197 1.00 0.00 C ATOM 996 NZ LYS A 63 12.432 -29.987 3.518 1.00 0.00 N ATOM 0 H LYS A 63 6.170 -31.581 2.172 1.00 0.00 H new ATOM 0 HA LYS A 63 7.910 -33.807 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.755 -31.160 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.995 -32.331 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.742 -32.321 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.546 -31.088 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.453 -29.800 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.678 -29.757 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.134 -31.554 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.841 -31.757 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.264 -30.441 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.715 -29.496 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.031 -29.299 4.187 1.00 0.00 H new ATOM 1010 N SER A 64 6.026 -33.357 4.873 1.00 0.00 N ATOM 1011 CA SER A 64 5.543 -33.999 6.091 1.00 0.00 C ATOM 1012 C SER A 64 4.849 -35.319 5.770 1.00 0.00 C ATOM 1013 O SER A 64 5.092 -36.335 6.423 1.00 0.00 O ATOM 1014 CB SER A 64 4.580 -33.071 6.834 1.00 0.00 C ATOM 1015 OG SER A 64 3.485 -32.708 6.013 1.00 0.00 O ATOM 0 H SER A 64 5.572 -32.470 4.655 1.00 0.00 H new ATOM 0 HA SER A 64 6.402 -34.206 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.215 -33.566 7.734 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.110 -32.174 7.156 1.00 0.00 H new ATOM 0 HG SER A 64 3.731 -31.935 5.462 1.00 0.00 H new ATOM 1021 N LYS A 65 3.986 -35.296 4.762 1.00 0.00 N ATOM 1022 CA LYS A 65 3.256 -36.491 4.353 1.00 0.00 C ATOM 1023 C LYS A 65 4.208 -37.549 3.805 1.00 0.00 C ATOM 1024 O LYS A 65 4.043 -38.742 4.066 1.00 0.00 O ATOM 1025 CB LYS A 65 2.208 -36.135 3.294 1.00 0.00 C ATOM 1026 CG LYS A 65 1.243 -37.267 2.990 1.00 0.00 C ATOM 1027 CD LYS A 65 0.040 -37.237 3.916 1.00 0.00 C ATOM 1028 CE LYS A 65 -1.075 -38.141 3.412 1.00 0.00 C ATOM 1029 NZ LYS A 65 -2.168 -38.285 4.413 1.00 0.00 N ATOM 0 H LYS A 65 3.774 -34.463 4.212 1.00 0.00 H new ATOM 0 HA LYS A 65 2.754 -36.899 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.642 -35.267 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.717 -35.845 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.909 -37.193 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.758 -38.222 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.341 -37.552 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.329 -36.215 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.482 -37.734 2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.667 -39.124 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.908 -38.908 4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.785 -38.697 5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.575 -37.350 4.619 1.00 0.00 H new ATOM 1043 N LEU A 66 5.206 -37.107 3.048 1.00 0.00 N ATOM 1044 CA LEU A 66 6.187 -38.016 2.466 1.00 0.00 C ATOM 1045 C LEU A 66 7.076 -38.621 3.547 1.00 0.00 C ATOM 1046 O LEU A 66 7.409 -39.806 3.501 1.00 0.00 O ATOM 1047 CB LEU A 66 7.044 -37.280 1.435 1.00 0.00 C ATOM 1048 CG LEU A 66 8.145 -38.105 0.768 1.00 0.00 C ATOM 1049 CD1 LEU A 66 7.646 -38.706 -0.537 1.00 0.00 C ATOM 1050 CD2 LEU A 66 9.380 -37.248 0.525 1.00 0.00 C ATOM 0 H LEU A 66 5.357 -36.124 2.823 1.00 0.00 H new ATOM 0 HA LEU A 66 5.649 -38.824 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.387 -36.891 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.505 -36.421 1.922 1.00 0.00 H new ATOM 0 HG LEU A 66 8.418 -38.920 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.443 -39.290 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.792 -39.353 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.344 -37.907 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.154 -37.851 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.121 -36.412 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.751 -36.866 1.476 1.00 0.00 H new ATOM 1062 N LYS A 67 7.457 -37.802 4.520 1.00 0.00 N ATOM 1063 CA LYS A 67 8.305 -38.255 5.616 1.00 0.00 C ATOM 1064 C LYS A 67 7.554 -39.228 6.519 1.00 0.00 C ATOM 1065 O LYS A 67 8.097 -40.252 6.934 1.00 0.00 O ATOM 1066 CB LYS A 67 8.800 -37.060 6.434 1.00 0.00 C ATOM 1067 CG LYS A 67 9.862 -37.422 7.459 1.00 0.00 C ATOM 1068 CD LYS A 67 10.372 -36.192 8.189 1.00 0.00 C ATOM 1069 CE LYS A 67 9.283 -35.553 9.035 1.00 0.00 C ATOM 1070 NZ LYS A 67 8.655 -36.533 9.965 1.00 0.00 N ATOM 0 H LYS A 67 7.191 -36.819 4.572 1.00 0.00 H new ATOM 0 HA LYS A 67 9.163 -38.773 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.203 -36.308 5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.952 -36.605 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.449 -38.129 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.693 -37.922 6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.213 -36.468 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.744 -35.467 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.706 -34.728 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.519 -35.130 8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.110 -36.024 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.020 -37.160 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.396 -37.100 10.424 1.00 0.00 H new ATOM 1084 N LYS A 68 6.301 -38.903 6.817 1.00 0.00 N ATOM 1085 CA LYS A 68 5.472 -39.749 7.668 1.00 0.00 C ATOM 1086 C LYS A 68 5.157 -41.072 6.979 1.00 0.00 C ATOM 1087 O LYS A 68 5.186 -42.132 7.605 1.00 0.00 O ATOM 1088 CB LYS A 68 4.172 -39.028 8.029 1.00 0.00 C ATOM 1089 CG LYS A 68 4.105 -38.583 9.480 1.00 0.00 C ATOM 1090 CD LYS A 68 4.360 -37.091 9.619 1.00 0.00 C ATOM 1091 CE LYS A 68 4.404 -36.667 11.079 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.042 -36.595 11.676 1.00 0.00 N ATOM 0 H LYS A 68 5.837 -38.059 6.482 1.00 0.00 H new ATOM 0 HA LYS A 68 6.029 -39.959 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.059 -38.156 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.330 -39.689 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.125 -38.825 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.841 -39.135 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.303 -36.835 9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.577 -36.537 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.012 -37.374 11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.888 -35.694 11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.114 -36.303 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.470 -35.902 11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.589 -37.530 11.622 1.00 0.00 H new ATOM 1106 N ALA A 69 4.858 -41.004 5.686 1.00 0.00 N ATOM 1107 CA ALA A 69 4.541 -42.198 4.911 1.00 0.00 C ATOM 1108 C ALA A 69 5.641 -43.246 5.045 1.00 0.00 C ATOM 1109 O ALA A 69 5.362 -44.427 5.257 1.00 0.00 O ATOM 1110 CB ALA A 69 4.330 -41.837 3.448 1.00 0.00 C ATOM 0 H ALA A 69 4.829 -40.135 5.153 1.00 0.00 H new ATOM 0 HA ALA A 69 3.618 -42.623 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.094 -42.738 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.506 -41.129 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.239 -41.386 3.050 1.00 0.00 H new