USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 550 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 14 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.2) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.46 K(o=0.46,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 130:sc= 0 USER MOD Single : A 54 THR OG1 : rot -14:sc= 0.0707 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0.322 (180deg=0.318) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 144:sc= 0.474 USER MOD Single : A 99 GLN : amide:sc= -0.681 K(o=-0.68,f=-3.4) USER MOD Single : A 102 SER OG : rot -36:sc= 0.0469 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.555 -16.779 10.248 1.00 11.54 N ATOM 190 CA LYS A 14 1.192 -16.438 9.840 1.00 34.12 C ATOM 191 C LYS A 14 1.110 -15.810 8.460 1.00 35.05 C ATOM 192 O LYS A 14 0.225 -16.160 7.686 1.00 51.22 O ATOM 193 CB LYS A 14 0.575 -15.528 10.917 1.00 72.30 C ATOM 194 CG LYS A 14 -0.957 -15.440 10.865 1.00 15.53 C ATOM 195 CD LYS A 14 -1.615 -16.711 11.426 1.00 0.54 C ATOM 196 CE LYS A 14 -3.117 -16.563 11.658 1.00 33.15 C ATOM 197 NZ LYS A 14 -3.843 -16.333 10.399 1.00 55.51 N ATOM 0 HA LYS A 14 0.621 -17.363 9.756 1.00 34.12 H new ATOM 0 HB2 LYS A 14 0.874 -15.893 11.900 1.00 72.30 H new ATOM 0 HB3 LYS A 14 0.989 -14.525 10.810 1.00 72.30 H new ATOM 0 HG2 LYS A 14 -1.292 -14.574 11.435 1.00 15.53 H new ATOM 0 HG3 LYS A 14 -1.279 -15.287 9.835 1.00 15.53 H new ATOM 0 HD2 LYS A 14 -1.441 -17.537 10.736 1.00 0.54 H new ATOM 0 HD3 LYS A 14 -1.134 -16.976 12.367 1.00 0.54 H new ATOM 0 HE2 LYS A 14 -3.501 -17.462 12.140 1.00 33.15 H new ATOM 0 HE3 LYS A 14 -3.300 -15.733 12.340 1.00 33.15 H new ATOM 0 HZ1 LYS A 14 -4.866 -16.406 10.570 1.00 55.51 H new ATOM 0 HZ2 LYS A 14 -3.619 -15.384 10.038 1.00 55.51 H new ATOM 0 HZ3 LYS A 14 -3.557 -17.046 9.698 1.00 55.51 H new ATOM 207 N PHE A 15 2.013 -14.882 8.161 1.00 23.43 N ATOM 208 CA PHE A 15 1.985 -14.132 6.920 1.00 13.33 C ATOM 209 C PHE A 15 2.743 -14.873 5.820 1.00 62.20 C ATOM 210 O PHE A 15 2.350 -14.791 4.660 1.00 62.21 O ATOM 211 CB PHE A 15 2.510 -12.718 7.209 1.00 31.11 C ATOM 212 CG PHE A 15 1.601 -11.971 8.165 1.00 20.03 C ATOM 213 CD1 PHE A 15 0.353 -11.509 7.699 1.00 41.10 C ATOM 214 CD2 PHE A 15 1.940 -11.834 9.531 1.00 60.20 C ATOM 215 CE1 PHE A 15 -0.553 -10.910 8.591 1.00 53.33 C ATOM 216 CE2 PHE A 15 1.035 -11.219 10.412 1.00 31.14 C ATOM 217 CZ PHE A 15 -0.210 -10.763 9.946 1.00 31.23 C ATOM 0 H PHE A 15 2.786 -14.631 8.778 1.00 23.43 H new ATOM 0 HA PHE A 15 0.969 -14.035 6.536 1.00 13.33 H new ATOM 0 HB2 PHE A 15 3.512 -12.781 7.633 1.00 31.11 H new ATOM 0 HB3 PHE A 15 2.593 -12.162 6.275 1.00 31.11 H new ATOM 0 HD1 PHE A 15 0.093 -11.615 6.656 1.00 41.10 H new ATOM 0 HD2 PHE A 15 2.889 -12.200 9.895 1.00 60.20 H new ATOM 0 HE1 PHE A 15 -1.512 -10.563 8.236 1.00 53.33 H new ATOM 0 HE2 PHE A 15 1.297 -11.096 11.452 1.00 31.14 H new ATOM 0 HZ PHE A 15 -0.905 -10.299 10.630 1.00 31.23 H new ATOM 226 N ALA A 16 3.765 -15.661 6.163 1.00 32.05 N ATOM 227 CA ALA A 16 4.506 -16.495 5.227 1.00 23.04 C ATOM 228 C ALA A 16 3.587 -17.508 4.544 1.00 23.13 C ATOM 229 O ALA A 16 3.764 -17.773 3.356 1.00 43.20 O ATOM 230 CB ALA A 16 5.646 -17.211 5.954 1.00 3.44 C ATOM 0 H ALA A 16 4.104 -15.735 7.122 1.00 32.05 H new ATOM 0 HA ALA A 16 4.926 -15.852 4.454 1.00 23.04 H new ATOM 0 HB1 ALA A 16 6.195 -17.833 5.247 1.00 3.44 H new ATOM 0 HB2 ALA A 16 6.321 -16.473 6.388 1.00 3.44 H new ATOM 0 HB3 ALA A 16 5.236 -17.838 6.746 1.00 3.44 H new ATOM 236 N HIS A 17 2.572 -18.022 5.249 1.00 75.34 N ATOM 237 CA HIS A 17 1.520 -18.879 4.690 1.00 3.24 C ATOM 238 C HIS A 17 0.712 -18.221 3.557 1.00 54.51 C ATOM 239 O HIS A 17 -0.092 -18.916 2.920 1.00 15.25 O ATOM 240 CB HIS A 17 0.574 -19.341 5.809 1.00 33.35 C ATOM 241 CG HIS A 17 1.075 -20.558 6.541 1.00 31.14 C ATOM 242 ND1 HIS A 17 0.969 -21.858 6.095 1.00 74.33 N ATOM 243 CD2 HIS A 17 1.681 -20.581 7.766 1.00 63.20 C ATOM 244 CE1 HIS A 17 1.486 -22.664 7.036 1.00 72.20 C ATOM 245 NE2 HIS A 17 1.923 -21.925 8.072 1.00 11.41 N ATOM 0 H HIS A 17 2.457 -17.849 6.248 1.00 75.34 H new ATOM 0 HA HIS A 17 2.029 -19.732 4.242 1.00 3.24 H new ATOM 0 HB2 HIS A 17 0.438 -18.527 6.521 1.00 33.35 H new ATOM 0 HB3 HIS A 17 -0.405 -19.558 5.382 1.00 33.35 H new ATOM 0 HD2 HIS A 17 1.926 -19.727 8.380 1.00 63.20 H new ATOM 0 HE1 HIS A 17 1.542 -23.741 6.971 1.00 72.20 H new ATOM 0 HE2 HIS A 17 2.353 -22.280 8.926 1.00 11.41 H new ATOM 252 N ASP A 18 0.947 -16.937 3.276 1.00 12.42 N ATOM 253 CA ASP A 18 0.287 -16.101 2.284 1.00 33.24 C ATOM 254 C ASP A 18 -1.151 -15.822 2.720 1.00 1.53 C ATOM 255 O ASP A 18 -1.419 -15.757 3.921 1.00 43.31 O ATOM 256 CB ASP A 18 0.497 -16.630 0.845 1.00 0.42 C ATOM 257 CG ASP A 18 1.888 -16.366 0.259 1.00 42.12 C ATOM 258 OD1 ASP A 18 2.719 -15.654 0.863 1.00 54.52 O ATOM 259 OD2 ASP A 18 2.105 -16.775 -0.902 1.00 24.12 O ATOM 0 H ASP A 18 1.664 -16.417 3.782 1.00 12.42 H new ATOM 0 HA ASP A 18 0.758 -15.119 2.235 1.00 33.24 H new ATOM 0 HB2 ASP A 18 0.313 -17.704 0.838 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -0.249 -16.175 0.193 1.00 0.42 H new ATOM 263 N ALA A 19 -2.054 -15.536 1.777 1.00 64.33 N ATOM 264 CA ALA A 19 -3.456 -15.183 1.968 1.00 33.33 C ATOM 265 C ALA A 19 -3.643 -13.918 2.800 1.00 41.12 C ATOM 266 O ALA A 19 -3.870 -12.844 2.239 1.00 33.23 O ATOM 267 CB ALA A 19 -4.227 -16.384 2.522 1.00 63.13 C ATOM 0 H ALA A 19 -1.801 -15.547 0.789 1.00 64.33 H new ATOM 0 HA ALA A 19 -3.877 -14.935 0.994 1.00 33.33 H new ATOM 0 HB1 ALA A 19 -5.273 -16.112 2.662 1.00 63.13 H new ATOM 0 HB2 ALA A 19 -4.159 -17.215 1.820 1.00 63.13 H new ATOM 0 HB3 ALA A 19 -3.799 -16.681 3.479 1.00 63.13 H new ATOM 273 N GLU A 20 -3.530 -14.017 4.123 1.00 61.20 N ATOM 274 CA GLU A 20 -3.698 -12.869 5.009 1.00 32.35 C ATOM 275 C GLU A 20 -2.644 -11.823 4.664 1.00 60.42 C ATOM 276 O GLU A 20 -2.924 -10.628 4.682 1.00 43.20 O ATOM 277 CB GLU A 20 -3.585 -13.258 6.492 1.00 14.45 C ATOM 278 CG GLU A 20 -4.947 -13.614 7.112 1.00 41.24 C ATOM 279 CD GLU A 20 -4.902 -13.691 8.644 1.00 32.11 C ATOM 280 OE1 GLU A 20 -3.812 -13.901 9.229 1.00 51.31 O ATOM 281 OE2 GLU A 20 -5.955 -13.586 9.314 1.00 13.12 O ATOM 0 H GLU A 20 -3.321 -14.890 4.608 1.00 61.20 H new ATOM 0 HA GLU A 20 -4.700 -12.467 4.859 1.00 32.35 H new ATOM 0 HB2 GLU A 20 -2.911 -14.109 6.591 1.00 14.45 H new ATOM 0 HB3 GLU A 20 -3.141 -12.433 7.048 1.00 14.45 H new ATOM 0 HG2 GLU A 20 -5.683 -12.869 6.812 1.00 41.24 H new ATOM 0 HG3 GLU A 20 -5.283 -14.572 6.714 1.00 41.24 H new ATOM 286 N LEU A 21 -1.434 -12.259 4.304 1.00 32.14 N ATOM 287 CA LEU A 21 -0.383 -11.339 3.905 1.00 1.15 C ATOM 288 C LEU A 21 -0.724 -10.643 2.613 1.00 15.43 C ATOM 289 O LEU A 21 -0.628 -9.423 2.536 1.00 2.41 O ATOM 290 CB LEU A 21 0.941 -12.113 3.742 1.00 42.24 C ATOM 291 CG LEU A 21 2.108 -11.358 3.066 1.00 63.20 C ATOM 292 CD1 LEU A 21 2.510 -10.109 3.846 1.00 4.12 C ATOM 293 CD2 LEU A 21 3.335 -12.261 2.924 1.00 3.15 C ATOM 0 H LEU A 21 -1.165 -13.243 4.283 1.00 32.14 H new ATOM 0 HA LEU A 21 -0.280 -10.580 4.681 1.00 1.15 H new ATOM 0 HB2 LEU A 21 1.271 -12.435 4.730 1.00 42.24 H new ATOM 0 HB3 LEU A 21 0.739 -13.015 3.164 1.00 42.24 H new ATOM 0 HG LEU A 21 1.751 -11.058 2.081 1.00 63.20 H new ATOM 0 HD11 LEU A 21 3.333 -9.610 3.335 1.00 4.12 H new ATOM 0 HD12 LEU A 21 1.659 -9.431 3.911 1.00 4.12 H new ATOM 0 HD13 LEU A 21 2.825 -10.393 4.850 1.00 4.12 H new ATOM 0 HD21 LEU A 21 4.142 -11.706 2.445 1.00 3.15 H new ATOM 0 HD22 LEU A 21 3.658 -12.593 3.910 1.00 3.15 H new ATOM 0 HD23 LEU A 21 3.080 -13.128 2.315 1.00 3.15 H new ATOM 304 N ASN A 22 -1.113 -11.416 1.607 1.00 75.33 N ATOM 305 CA ASN A 22 -1.406 -10.873 0.284 1.00 41.53 C ATOM 306 C ASN A 22 -2.464 -9.786 0.399 1.00 55.11 C ATOM 307 O ASN A 22 -2.369 -8.755 -0.269 1.00 20.23 O ATOM 308 CB ASN A 22 -1.850 -11.974 -0.690 1.00 0.23 C ATOM 309 CG ASN A 22 -0.694 -12.884 -1.070 1.00 73.20 C ATOM 310 OD1 ASN A 22 0.456 -12.447 -1.133 1.00 33.42 O ATOM 311 ND2 ASN A 22 -0.947 -14.159 -1.284 1.00 71.12 N ATOM 0 H ASN A 22 -1.234 -12.426 1.682 1.00 75.33 H new ATOM 0 HA ASN A 22 -0.493 -10.437 -0.121 1.00 41.53 H new ATOM 0 HB2 ASN A 22 -2.644 -12.565 -0.234 1.00 0.23 H new ATOM 0 HB3 ASN A 22 -2.266 -11.519 -1.589 1.00 0.23 H new ATOM 0 HD21 ASN A 22 -0.185 -14.800 -1.506 1.00 71.12 H new ATOM 0 HD22 ASN A 22 -1.905 -14.505 -1.228 1.00 71.12 H new ATOM 317 N PHE A 23 -3.427 -9.989 1.297 1.00 53.23 N ATOM 318 CA PHE A 23 -4.509 -9.056 1.516 1.00 34.21 C ATOM 319 C PHE A 23 -4.031 -7.841 2.313 1.00 4.12 C ATOM 320 O PHE A 23 -4.248 -6.700 1.899 1.00 20.42 O ATOM 321 CB PHE A 23 -5.653 -9.797 2.215 1.00 11.24 C ATOM 322 CG PHE A 23 -6.952 -9.017 2.331 1.00 44.20 C ATOM 323 CD1 PHE A 23 -7.393 -8.183 1.281 1.00 33.51 C ATOM 324 CD2 PHE A 23 -7.770 -9.184 3.464 1.00 53.25 C ATOM 325 CE1 PHE A 23 -8.614 -7.501 1.380 1.00 40.14 C ATOM 326 CE2 PHE A 23 -9.007 -8.520 3.552 1.00 4.21 C ATOM 327 CZ PHE A 23 -9.426 -7.675 2.510 1.00 24.13 C ATOM 0 H PHE A 23 -3.470 -10.815 1.893 1.00 53.23 H new ATOM 0 HA PHE A 23 -4.871 -8.670 0.563 1.00 34.21 H new ATOM 0 HB2 PHE A 23 -5.850 -10.722 1.673 1.00 11.24 H new ATOM 0 HB3 PHE A 23 -5.325 -10.077 3.216 1.00 11.24 H new ATOM 0 HD1 PHE A 23 -6.786 -8.069 0.395 1.00 33.51 H new ATOM 0 HD2 PHE A 23 -7.446 -9.825 4.270 1.00 53.25 H new ATOM 0 HE1 PHE A 23 -8.929 -6.841 0.585 1.00 40.14 H new ATOM 0 HE2 PHE A 23 -9.634 -8.659 4.420 1.00 4.21 H new ATOM 0 HZ PHE A 23 -10.373 -7.160 2.580 1.00 24.13 H new ATOM 336 N LYS A 24 -3.376 -8.044 3.467 1.00 55.52 N ATOM 337 CA LYS A 24 -2.979 -6.961 4.358 1.00 11.10 C ATOM 338 C LYS A 24 -1.962 -6.034 3.697 1.00 71.41 C ATOM 339 O LYS A 24 -2.009 -4.818 3.898 1.00 4.54 O ATOM 340 CB LYS A 24 -2.497 -7.585 5.678 1.00 55.33 C ATOM 341 CG LYS A 24 -1.054 -8.083 5.777 1.00 40.50 C ATOM 342 CD LYS A 24 -0.246 -7.144 6.652 1.00 23.42 C ATOM 343 CE LYS A 24 -0.533 -7.435 8.119 1.00 40.12 C ATOM 344 NZ LYS A 24 0.047 -6.431 9.035 1.00 72.25 N ATOM 0 H LYS A 24 -3.110 -8.970 3.802 1.00 55.52 H new ATOM 0 HA LYS A 24 -3.826 -6.312 4.581 1.00 11.10 H new ATOM 0 HB2 LYS A 24 -2.645 -6.846 6.465 1.00 55.33 H new ATOM 0 HB3 LYS A 24 -3.152 -8.426 5.903 1.00 55.33 H new ATOM 0 HG2 LYS A 24 -1.035 -9.090 6.194 1.00 40.50 H new ATOM 0 HG3 LYS A 24 -0.610 -8.141 4.783 1.00 40.50 H new ATOM 0 HD2 LYS A 24 0.818 -7.267 6.448 1.00 23.42 H new ATOM 0 HD3 LYS A 24 -0.498 -6.109 6.421 1.00 23.42 H new ATOM 0 HE2 LYS A 24 -1.612 -7.476 8.271 1.00 40.12 H new ATOM 0 HE3 LYS A 24 -0.138 -8.419 8.372 1.00 40.12 H new ATOM 0 HZ1 LYS A 24 -0.182 -6.684 10.017 1.00 72.25 H new ATOM 0 HZ2 LYS A 24 1.080 -6.408 8.916 1.00 72.25 H new ATOM 0 HZ3 LYS A 24 -0.348 -5.494 8.818 1.00 72.25 H new ATOM 354 N ALA A 25 -1.062 -6.624 2.910 1.00 52.31 N ATOM 355 CA ALA A 25 -0.006 -5.966 2.177 1.00 42.30 C ATOM 356 C ALA A 25 -0.601 -5.067 1.115 1.00 20.33 C ATOM 357 O ALA A 25 -0.210 -3.910 1.033 1.00 12.43 O ATOM 358 CB ALA A 25 0.919 -7.010 1.555 1.00 24.31 C ATOM 0 H ALA A 25 -1.060 -7.634 2.766 1.00 52.31 H new ATOM 0 HA ALA A 25 0.581 -5.349 2.858 1.00 42.30 H new ATOM 0 HB1 ALA A 25 1.714 -6.509 1.003 1.00 24.31 H new ATOM 0 HB2 ALA A 25 1.355 -7.625 2.342 1.00 24.31 H new ATOM 0 HB3 ALA A 25 0.348 -7.643 0.875 1.00 24.31 H new ATOM 364 N GLU A 26 -1.555 -5.558 0.323 1.00 61.21 N ATOM 365 CA GLU A 26 -2.172 -4.803 -0.763 1.00 33.41 C ATOM 366 C GLU A 26 -2.631 -3.418 -0.283 1.00 0.15 C ATOM 367 O GLU A 26 -2.268 -2.398 -0.877 1.00 73.41 O ATOM 368 CB GLU A 26 -3.325 -5.621 -1.347 1.00 21.31 C ATOM 369 CG GLU A 26 -3.997 -4.898 -2.520 1.00 2.35 C ATOM 370 CD GLU A 26 -5.240 -5.637 -2.989 1.00 62.53 C ATOM 371 OE1 GLU A 26 -6.129 -5.921 -2.149 1.00 0.13 O ATOM 372 OE2 GLU A 26 -5.342 -5.911 -4.203 1.00 20.23 O ATOM 0 H GLU A 26 -1.924 -6.504 0.421 1.00 61.21 H new ATOM 0 HA GLU A 26 -1.438 -4.628 -1.549 1.00 33.41 H new ATOM 0 HB2 GLU A 26 -2.951 -6.589 -1.682 1.00 21.31 H new ATOM 0 HB3 GLU A 26 -4.063 -5.816 -0.569 1.00 21.31 H new ATOM 0 HG2 GLU A 26 -4.266 -3.885 -2.219 1.00 2.35 H new ATOM 0 HG3 GLU A 26 -3.292 -4.808 -3.346 1.00 2.35 H new ATOM 377 N ALA A 27 -3.378 -3.375 0.820 1.00 71.15 N ATOM 378 CA ALA A 27 -3.868 -2.138 1.419 1.00 35.22 C ATOM 379 C ALA A 27 -2.756 -1.272 2.038 1.00 1.41 C ATOM 380 O ALA A 27 -2.953 -0.071 2.229 1.00 60.15 O ATOM 381 CB ALA A 27 -4.921 -2.502 2.473 1.00 21.40 C ATOM 0 H ALA A 27 -3.663 -4.212 1.329 1.00 71.15 H new ATOM 0 HA ALA A 27 -4.302 -1.528 0.627 1.00 35.22 H new ATOM 0 HB1 ALA A 27 -5.303 -1.592 2.935 1.00 21.40 H new ATOM 0 HB2 ALA A 27 -5.742 -3.039 1.997 1.00 21.40 H new ATOM 0 HB3 ALA A 27 -4.468 -3.134 3.237 1.00 21.40 H new ATOM 387 N ARG A 28 -1.584 -1.819 2.387 1.00 74.45 N ATOM 388 CA ARG A 28 -0.434 -1.000 2.789 1.00 73.23 C ATOM 389 C ARG A 28 0.124 -0.263 1.581 1.00 35.23 C ATOM 390 O ARG A 28 0.361 0.938 1.666 1.00 74.13 O ATOM 391 CB ARG A 28 0.679 -1.834 3.460 1.00 11.43 C ATOM 392 CG ARG A 28 0.490 -2.050 4.967 1.00 72.12 C ATOM 393 CD ARG A 28 0.732 -0.760 5.754 1.00 4.51 C ATOM 394 NE ARG A 28 0.614 -0.980 7.200 1.00 3.34 N ATOM 395 CZ ARG A 28 -0.429 -0.751 8.004 1.00 31.13 C ATOM 396 NH1 ARG A 28 -1.603 -0.325 7.539 1.00 44.14 N ATOM 397 NH2 ARG A 28 -0.285 -0.937 9.307 1.00 60.21 N ATOM 0 H ARG A 28 -1.408 -2.824 2.399 1.00 74.45 H new ATOM 0 HA ARG A 28 -0.789 -0.283 3.529 1.00 73.23 H new ATOM 0 HB2 ARG A 28 0.733 -2.806 2.970 1.00 11.43 H new ATOM 0 HB3 ARG A 28 1.636 -1.340 3.294 1.00 11.43 H new ATOM 0 HG2 ARG A 28 -0.520 -2.411 5.160 1.00 72.12 H new ATOM 0 HG3 ARG A 28 1.176 -2.823 5.314 1.00 72.12 H new ATOM 0 HD2 ARG A 28 1.725 -0.373 5.524 1.00 4.51 H new ATOM 0 HD3 ARG A 28 0.014 -0.002 5.441 1.00 4.51 H new ATOM 0 HE ARG A 28 1.444 -1.361 7.655 1.00 3.34 H new ATOM 0 HH11 ARG A 28 -1.727 -0.163 6.540 1.00 44.14 H new ATOM 0 HH12 ARG A 28 -2.377 -0.161 8.182 1.00 44.14 H new ATOM 0 HH21 ARG A 28 0.611 -1.250 9.682 1.00 60.21 H new ATOM 0 HH22 ARG A 28 -1.070 -0.767 9.936 1.00 60.21 H new ATOM 408 N ARG A 29 0.347 -0.960 0.464 1.00 31.31 N ATOM 409 CA ARG A 29 1.169 -0.447 -0.639 1.00 43.54 C ATOM 410 C ARG A 29 0.630 0.888 -1.159 1.00 2.22 C ATOM 411 O ARG A 29 1.384 1.855 -1.256 1.00 4.23 O ATOM 412 CB ARG A 29 1.340 -1.473 -1.783 1.00 12.23 C ATOM 413 CG ARG A 29 1.233 -2.946 -1.361 1.00 52.12 C ATOM 414 CD ARG A 29 1.840 -3.970 -2.317 1.00 1.51 C ATOM 415 NE ARG A 29 2.126 -5.239 -1.630 1.00 31.31 N ATOM 416 CZ ARG A 29 1.756 -6.476 -1.984 1.00 41.44 C ATOM 417 NH1 ARG A 29 0.875 -6.705 -2.953 1.00 61.43 N ATOM 418 NH2 ARG A 29 2.279 -7.500 -1.330 1.00 12.53 N ATOM 0 H ARG A 29 -0.034 -1.891 0.297 1.00 31.31 H new ATOM 0 HA ARG A 29 2.165 -0.272 -0.231 1.00 43.54 H new ATOM 0 HB2 ARG A 29 0.586 -1.274 -2.544 1.00 12.23 H new ATOM 0 HB3 ARG A 29 2.312 -1.315 -2.249 1.00 12.23 H new ATOM 0 HG2 ARG A 29 1.713 -3.059 -0.389 1.00 52.12 H new ATOM 0 HG3 ARG A 29 0.179 -3.187 -1.226 1.00 52.12 H new ATOM 0 HD2 ARG A 29 1.154 -4.149 -3.145 1.00 1.51 H new ATOM 0 HD3 ARG A 29 2.759 -3.571 -2.745 1.00 1.51 H new ATOM 0 HE ARG A 29 2.677 -5.167 -0.774 1.00 31.31 H new ATOM 0 HH11 ARG A 29 0.455 -5.923 -3.456 1.00 61.43 H new ATOM 0 HH12 ARG A 29 0.619 -7.663 -3.193 1.00 61.43 H new ATOM 0 HH21 ARG A 29 2.947 -7.337 -0.576 1.00 12.53 H new ATOM 0 HH22 ARG A 29 2.015 -8.453 -1.579 1.00 12.53 H new ATOM 429 N ASN A 30 -0.683 0.972 -1.410 1.00 22.14 N ATOM 430 CA ASN A 30 -1.336 2.203 -1.875 1.00 13.21 C ATOM 431 C ASN A 30 -1.095 3.362 -0.910 1.00 43.24 C ATOM 432 O ASN A 30 -0.894 4.490 -1.362 1.00 2.20 O ATOM 433 CB ASN A 30 -2.868 2.009 -2.000 1.00 51.24 C ATOM 434 CG ASN A 30 -3.366 1.771 -3.419 1.00 62.24 C ATOM 435 OD1 ASN A 30 -2.936 2.434 -4.364 1.00 53.15 O ATOM 436 ND2 ASN A 30 -4.273 0.835 -3.591 1.00 2.00 N ATOM 0 H ASN A 30 -1.324 0.187 -1.296 1.00 22.14 H new ATOM 0 HA ASN A 30 -0.902 2.432 -2.848 1.00 13.21 H new ATOM 0 HB2 ASN A 30 -3.165 1.164 -1.379 1.00 51.24 H new ATOM 0 HB3 ASN A 30 -3.366 2.891 -1.598 1.00 51.24 H new ATOM 0 HD21 ASN A 30 -4.637 0.643 -4.524 1.00 2.00 H new ATOM 0 HD22 ASN A 30 -4.612 0.300 -2.791 1.00 2.00 H new ATOM 442 N ARG A 31 -1.135 3.114 0.407 1.00 12.40 N ATOM 443 CA ARG A 31 -0.914 4.154 1.408 1.00 51.12 C ATOM 444 C ARG A 31 0.465 4.777 1.208 1.00 54.45 C ATOM 445 O ARG A 31 0.553 5.996 1.223 1.00 11.30 O ATOM 446 CB ARG A 31 -1.082 3.620 2.846 1.00 11.12 C ATOM 447 CG ARG A 31 -1.243 4.783 3.845 1.00 14.13 C ATOM 448 CD ARG A 31 -0.797 4.457 5.271 1.00 24.33 C ATOM 449 NE ARG A 31 -1.793 3.702 6.047 1.00 13.20 N ATOM 450 CZ ARG A 31 -1.616 3.338 7.326 1.00 24.24 C ATOM 451 NH1 ARG A 31 -0.440 3.509 7.928 1.00 35.43 N ATOM 452 NH2 ARG A 31 -2.613 2.776 8.002 1.00 53.43 N ATOM 0 H ARG A 31 -1.321 2.192 0.801 1.00 12.40 H new ATOM 0 HA ARG A 31 -1.675 4.923 1.272 1.00 51.12 H new ATOM 0 HB2 ARG A 31 -1.953 2.967 2.897 1.00 11.12 H new ATOM 0 HB3 ARG A 31 -0.216 3.017 3.119 1.00 11.12 H new ATOM 0 HG2 ARG A 31 -0.670 5.637 3.485 1.00 14.13 H new ATOM 0 HG3 ARG A 31 -2.290 5.086 3.865 1.00 14.13 H new ATOM 0 HD2 ARG A 31 0.129 3.883 5.230 1.00 24.33 H new ATOM 0 HD3 ARG A 31 -0.573 5.387 5.793 1.00 24.33 H new ATOM 0 HE ARG A 31 -2.666 3.441 5.588 1.00 13.20 H new ATOM 0 HH11 ARG A 31 0.340 3.921 7.416 1.00 35.43 H new ATOM 0 HH12 ARG A 31 -0.319 3.228 8.901 1.00 35.43 H new ATOM 0 HH21 ARG A 31 -3.513 2.621 7.548 1.00 53.43 H new ATOM 0 HH22 ARG A 31 -2.478 2.499 8.974 1.00 53.43 H new ATOM 463 N LEU A 32 1.517 3.986 0.967 1.00 14.12 N ATOM 464 CA LEU A 32 2.888 4.491 0.795 1.00 15.51 C ATOM 465 C LEU A 32 2.974 5.515 -0.341 1.00 60.32 C ATOM 466 O LEU A 32 3.636 6.548 -0.219 1.00 62.24 O ATOM 467 CB LEU A 32 3.872 3.347 0.481 1.00 71.02 C ATOM 468 CG LEU A 32 3.902 2.174 1.472 1.00 63.31 C ATOM 469 CD1 LEU A 32 4.842 1.097 0.940 1.00 55.13 C ATOM 470 CD2 LEU A 32 4.366 2.588 2.865 1.00 31.04 C ATOM 0 H LEU A 32 1.443 2.972 0.885 1.00 14.12 H new ATOM 0 HA LEU A 32 3.158 4.966 1.738 1.00 15.51 H new ATOM 0 HB2 LEU A 32 3.632 2.953 -0.506 1.00 71.02 H new ATOM 0 HB3 LEU A 32 4.876 3.768 0.421 1.00 71.02 H new ATOM 0 HG LEU A 32 2.882 1.801 1.564 1.00 63.31 H new ATOM 0 HD11 LEU A 32 4.869 0.260 1.638 1.00 55.13 H new ATOM 0 HD12 LEU A 32 4.485 0.749 -0.030 1.00 55.13 H new ATOM 0 HD13 LEU A 32 5.844 1.511 0.831 1.00 55.13 H new ATOM 0 HD21 LEU A 32 4.367 1.718 3.522 1.00 31.04 H new ATOM 0 HD22 LEU A 32 5.374 2.999 2.806 1.00 31.04 H new ATOM 0 HD23 LEU A 32 3.689 3.343 3.264 1.00 31.04 H new ATOM 481 N LEU A 33 2.326 5.222 -1.471 1.00 75.35 N ATOM 482 CA LEU A 33 2.222 6.134 -2.598 1.00 63.05 C ATOM 483 C LEU A 33 1.428 7.379 -2.188 1.00 15.41 C ATOM 484 O LEU A 33 1.752 8.484 -2.611 1.00 22.10 O ATOM 485 CB LEU A 33 1.502 5.402 -3.740 1.00 55.01 C ATOM 486 CG LEU A 33 2.392 4.811 -4.843 1.00 73.15 C ATOM 487 CD1 LEU A 33 1.509 4.070 -5.837 1.00 43.31 C ATOM 488 CD2 LEU A 33 3.133 5.856 -5.671 1.00 42.22 C ATOM 0 H LEU A 33 1.854 4.331 -1.625 1.00 75.35 H new ATOM 0 HA LEU A 33 3.214 6.450 -2.922 1.00 63.05 H new ATOM 0 HB2 LEU A 33 0.911 4.594 -3.309 1.00 55.01 H new ATOM 0 HB3 LEU A 33 0.801 6.097 -4.203 1.00 55.01 H new ATOM 0 HG LEU A 33 3.119 4.182 -4.328 1.00 73.15 H new ATOM 0 HD11 LEU A 33 2.128 3.645 -6.627 1.00 43.31 H new ATOM 0 HD12 LEU A 33 0.975 3.270 -5.324 1.00 43.31 H new ATOM 0 HD13 LEU A 33 0.791 4.764 -6.273 1.00 43.31 H new ATOM 0 HD21 LEU A 33 3.739 5.358 -6.428 1.00 42.22 H new ATOM 0 HD22 LEU A 33 2.412 6.512 -6.158 1.00 42.22 H new ATOM 0 HD23 LEU A 33 3.778 6.446 -5.020 1.00 42.22 H new ATOM 499 N GLY A 34 0.407 7.215 -1.344 1.00 23.21 N ATOM 500 CA GLY A 34 -0.374 8.299 -0.777 1.00 41.31 C ATOM 501 C GLY A 34 0.478 9.252 0.062 1.00 31.51 C ATOM 502 O GLY A 34 0.371 10.461 -0.119 1.00 54.21 O ATOM 0 H GLY A 34 0.098 6.295 -1.032 1.00 23.21 H new ATOM 0 HA2 GLY A 34 -0.854 8.857 -1.581 1.00 41.31 H new ATOM 0 HA3 GLY A 34 -1.169 7.885 -0.157 1.00 41.31 H new ATOM 506 N GLU A 35 1.339 8.723 0.940 1.00 53.44 N ATOM 507 CA GLU A 35 2.210 9.510 1.824 1.00 31.22 C ATOM 508 C GLU A 35 3.122 10.436 0.998 1.00 63.03 C ATOM 509 O GLU A 35 3.381 11.569 1.399 1.00 44.12 O ATOM 510 CB GLU A 35 3.076 8.580 2.708 1.00 31.14 C ATOM 511 CG GLU A 35 2.337 7.605 3.654 1.00 43.34 C ATOM 512 CD GLU A 35 1.740 8.229 4.917 1.00 74.14 C ATOM 513 OE1 GLU A 35 1.389 9.422 4.893 1.00 62.11 O ATOM 514 OE2 GLU A 35 1.553 7.495 5.926 1.00 43.44 O ATOM 0 H GLU A 35 1.453 7.716 1.059 1.00 53.44 H new ATOM 0 HA GLU A 35 1.575 10.118 2.468 1.00 31.22 H new ATOM 0 HB2 GLU A 35 3.716 7.991 2.051 1.00 31.14 H new ATOM 0 HB3 GLU A 35 3.731 9.206 3.314 1.00 31.14 H new ATOM 0 HG2 GLU A 35 1.535 7.124 3.095 1.00 43.34 H new ATOM 0 HG3 GLU A 35 3.032 6.821 3.953 1.00 43.34 H new ATOM 519 N TRP A 36 3.594 9.958 -0.164 1.00 72.11 N ATOM 520 CA TRP A 36 4.361 10.730 -1.144 1.00 72.15 C ATOM 521 C TRP A 36 3.462 11.782 -1.785 1.00 32.23 C ATOM 522 O TRP A 36 3.702 12.979 -1.640 1.00 63.05 O ATOM 523 CB TRP A 36 4.956 9.774 -2.200 1.00 32.13 C ATOM 524 CG TRP A 36 5.442 10.360 -3.495 1.00 41.52 C ATOM 525 CD1 TRP A 36 6.483 11.212 -3.648 1.00 51.25 C ATOM 526 CD2 TRP A 36 4.913 10.140 -4.841 1.00 3.24 C ATOM 527 NE1 TRP A 36 6.676 11.475 -4.987 1.00 60.41 N ATOM 528 CE2 TRP A 36 5.739 10.841 -5.769 1.00 3.20 C ATOM 529 CE3 TRP A 36 3.813 9.432 -5.378 1.00 1.13 C ATOM 530 CZ2 TRP A 36 5.508 10.817 -7.150 1.00 22.33 C ATOM 531 CZ3 TRP A 36 3.558 9.420 -6.762 1.00 22.43 C ATOM 532 CH2 TRP A 36 4.412 10.105 -7.644 1.00 71.53 C ATOM 0 H TRP A 36 3.445 8.991 -0.453 1.00 72.11 H new ATOM 0 HA TRP A 36 5.185 11.247 -0.651 1.00 72.15 H new ATOM 0 HB2 TRP A 36 5.791 9.247 -1.739 1.00 32.13 H new ATOM 0 HB3 TRP A 36 4.199 9.026 -2.436 1.00 32.13 H new ATOM 0 HD1 TRP A 36 7.073 11.623 -2.842 1.00 51.25 H new ATOM 0 HE1 TRP A 36 7.422 12.067 -5.353 1.00 60.41 H new ATOM 0 HE3 TRP A 36 3.156 8.890 -4.714 1.00 1.13 H new ATOM 0 HZ2 TRP A 36 6.168 11.342 -7.824 1.00 22.33 H new ATOM 0 HZ3 TRP A 36 2.704 8.883 -7.148 1.00 22.43 H new ATOM 0 HH2 TRP A 36 4.220 10.081 -8.707 1.00 71.53 H new ATOM 542 N ALA A 37 2.421 11.340 -2.494 1.00 62.23 N ATOM 543 CA ALA A 37 1.596 12.210 -3.315 1.00 11.43 C ATOM 544 C ALA A 37 0.930 13.324 -2.498 1.00 21.14 C ATOM 545 O ALA A 37 0.809 14.427 -3.016 1.00 23.21 O ATOM 546 CB ALA A 37 0.601 11.358 -4.105 1.00 40.34 C ATOM 0 H ALA A 37 2.130 10.362 -2.511 1.00 62.23 H new ATOM 0 HA ALA A 37 2.230 12.737 -4.028 1.00 11.43 H new ATOM 0 HB1 ALA A 37 -0.021 12.005 -4.723 1.00 40.34 H new ATOM 0 HB2 ALA A 37 1.145 10.661 -4.742 1.00 40.34 H new ATOM 0 HB3 ALA A 37 -0.030 10.801 -3.413 1.00 40.34 H new ATOM 552 N ALA A 38 0.592 13.120 -1.221 1.00 60.53 N ATOM 553 CA ALA A 38 0.197 14.186 -0.307 1.00 31.52 C ATOM 554 C ALA A 38 1.127 15.413 -0.406 1.00 15.22 C ATOM 555 O ALA A 38 0.642 16.536 -0.553 1.00 61.44 O ATOM 556 CB ALA A 38 0.175 13.610 1.113 1.00 11.22 C ATOM 0 H ALA A 38 0.586 12.195 -0.791 1.00 60.53 H new ATOM 0 HA ALA A 38 -0.795 14.546 -0.579 1.00 31.52 H new ATOM 0 HB1 ALA A 38 -0.118 14.389 1.817 1.00 11.22 H new ATOM 0 HB2 ALA A 38 -0.540 12.789 1.162 1.00 11.22 H new ATOM 0 HB3 ALA A 38 1.168 13.242 1.372 1.00 11.22 H new ATOM 562 N GLY A 39 2.449 15.210 -0.413 1.00 53.24 N ATOM 563 CA GLY A 39 3.454 16.264 -0.535 1.00 23.14 C ATOM 564 C GLY A 39 3.552 16.908 -1.919 1.00 32.21 C ATOM 565 O GLY A 39 4.284 17.886 -2.086 1.00 61.03 O ATOM 0 H GLY A 39 2.858 14.279 -0.331 1.00 53.24 H new ATOM 0 HA2 GLY A 39 3.233 17.042 0.196 1.00 23.14 H new ATOM 0 HA3 GLY A 39 4.428 15.849 -0.275 1.00 23.14 H new ATOM 569 N LEU A 40 2.846 16.378 -2.917 1.00 34.10 N ATOM 570 CA LEU A 40 2.788 16.901 -4.278 1.00 11.40 C ATOM 571 C LEU A 40 1.495 17.661 -4.515 1.00 73.43 C ATOM 572 O LEU A 40 1.523 18.686 -5.196 1.00 12.42 O ATOM 573 CB LEU A 40 2.870 15.749 -5.284 1.00 74.35 C ATOM 574 CG LEU A 40 4.207 15.003 -5.274 1.00 0.40 C ATOM 575 CD1 LEU A 40 4.109 13.837 -6.258 1.00 44.13 C ATOM 576 CD2 LEU A 40 5.353 15.909 -5.728 1.00 42.13 C ATOM 0 H LEU A 40 2.277 15.540 -2.793 1.00 34.10 H new ATOM 0 HA LEU A 40 3.631 17.579 -4.411 1.00 11.40 H new ATOM 0 HB2 LEU A 40 2.069 15.040 -5.074 1.00 74.35 H new ATOM 0 HB3 LEU A 40 2.693 16.142 -6.285 1.00 74.35 H new ATOM 0 HG LEU A 40 4.409 14.663 -4.258 1.00 0.40 H new ATOM 0 HD11 LEU A 40 5.051 13.290 -6.268 1.00 44.13 H new ATOM 0 HD12 LEU A 40 3.304 13.169 -5.951 1.00 44.13 H new ATOM 0 HD13 LEU A 40 3.901 14.220 -7.257 1.00 44.13 H new ATOM 0 HD21 LEU A 40 6.288 15.350 -5.710 1.00 42.13 H new ATOM 0 HD22 LEU A 40 5.160 16.260 -6.742 1.00 42.13 H new ATOM 0 HD23 LEU A 40 5.429 16.764 -5.056 1.00 42.13 H new ATOM 587 N LEU A 41 0.375 17.185 -3.960 1.00 11.13 N ATOM 588 CA LEU A 41 -0.866 17.949 -3.975 1.00 43.23 C ATOM 589 C LEU A 41 -0.654 19.181 -3.112 1.00 74.54 C ATOM 590 O LEU A 41 -0.988 20.287 -3.529 1.00 75.31 O ATOM 591 CB LEU A 41 -2.074 17.156 -3.467 1.00 14.23 C ATOM 592 CG LEU A 41 -2.634 16.073 -4.406 1.00 1.34 C ATOM 593 CD1 LEU A 41 -2.854 16.544 -5.843 1.00 31.41 C ATOM 594 CD2 LEU A 41 -1.784 14.819 -4.424 1.00 15.10 C ATOM 0 H LEU A 41 0.308 16.278 -3.498 1.00 11.13 H new ATOM 0 HA LEU A 41 -1.096 18.211 -5.008 1.00 43.23 H new ATOM 0 HB2 LEU A 41 -1.798 16.681 -2.526 1.00 14.23 H new ATOM 0 HB3 LEU A 41 -2.875 17.861 -3.245 1.00 14.23 H new ATOM 0 HG LEU A 41 -3.610 15.843 -3.979 1.00 1.34 H new ATOM 0 HD11 LEU A 41 -3.250 15.722 -6.439 1.00 31.41 H new ATOM 0 HD12 LEU A 41 -3.563 17.371 -5.850 1.00 31.41 H new ATOM 0 HD13 LEU A 41 -1.906 16.875 -6.266 1.00 31.41 H new ATOM 0 HD21 LEU A 41 -2.226 14.090 -5.103 1.00 15.10 H new ATOM 0 HD22 LEU A 41 -0.778 15.066 -4.762 1.00 15.10 H new ATOM 0 HD23 LEU A 41 -1.736 14.398 -3.420 1.00 15.10 H new ATOM 605 N GLY A 42 -0.042 18.993 -1.943 1.00 60.43 N ATOM 606 CA GLY A 42 0.387 20.057 -1.062 1.00 51.04 C ATOM 607 C GLY A 42 -0.329 19.984 0.270 1.00 42.03 C ATOM 608 O GLY A 42 -1.175 20.828 0.563 1.00 0.31 O ATOM 0 H GLY A 42 0.171 18.064 -1.580 1.00 60.43 H new ATOM 0 HA2 GLY A 42 1.463 19.991 -0.904 1.00 51.04 H new ATOM 0 HA3 GLY A 42 0.193 21.022 -1.530 1.00 51.04 H new ATOM 612 N LYS A 43 -0.037 18.955 1.056 1.00 33.53 N ATOM 613 CA LYS A 43 -0.556 18.790 2.402 1.00 60.55 C ATOM 614 C LYS A 43 0.490 18.099 3.266 1.00 24.31 C ATOM 615 O LYS A 43 1.324 17.346 2.758 1.00 60.04 O ATOM 616 CB LYS A 43 -1.888 18.021 2.367 1.00 3.34 C ATOM 617 CG LYS A 43 -1.993 16.926 1.303 1.00 2.30 C ATOM 618 CD LYS A 43 -3.353 16.225 1.283 1.00 71.35 C ATOM 619 CE LYS A 43 -4.086 16.391 -0.043 1.00 52.13 C ATOM 620 NZ LYS A 43 -4.713 17.714 -0.156 1.00 51.15 N ATOM 0 H LYS A 43 0.581 18.197 0.766 1.00 33.53 H new ATOM 0 HA LYS A 43 -0.763 19.764 2.845 1.00 60.55 H new ATOM 0 HB2 LYS A 43 -2.051 17.569 3.345 1.00 3.34 H new ATOM 0 HB3 LYS A 43 -2.695 18.736 2.208 1.00 3.34 H new ATOM 0 HG2 LYS A 43 -1.804 17.363 0.323 1.00 2.30 H new ATOM 0 HG3 LYS A 43 -1.213 16.185 1.477 1.00 2.30 H new ATOM 0 HD2 LYS A 43 -3.212 15.163 1.484 1.00 71.35 H new ATOM 0 HD3 LYS A 43 -3.973 16.622 2.087 1.00 71.35 H new ATOM 0 HE2 LYS A 43 -3.386 16.249 -0.866 1.00 52.13 H new ATOM 0 HE3 LYS A 43 -4.849 15.618 -0.136 1.00 52.13 H new ATOM 0 HZ1 LYS A 43 -5.202 17.789 -1.071 1.00 51.15 H new ATOM 0 HZ2 LYS A 43 -5.400 17.840 0.615 1.00 51.15 H new ATOM 0 HZ3 LYS A 43 -3.982 18.451 -0.092 1.00 51.15 H new ATOM 630 N THR A 44 0.377 18.295 4.576 1.00 31.23 N ATOM 631 CA THR A 44 1.208 17.720 5.629 1.00 14.43 C ATOM 632 C THR A 44 0.323 17.477 6.864 1.00 71.01 C ATOM 633 O THR A 44 -0.893 17.676 6.795 1.00 72.24 O ATOM 634 CB THR A 44 2.377 18.681 5.934 1.00 5.24 C ATOM 635 OG1 THR A 44 1.976 20.042 5.886 1.00 10.21 O ATOM 636 CG2 THR A 44 3.523 18.497 4.939 1.00 54.15 C ATOM 0 H THR A 44 -0.349 18.902 4.957 1.00 31.23 H new ATOM 0 HA THR A 44 1.638 16.767 5.320 1.00 14.43 H new ATOM 0 HB THR A 44 2.709 18.434 6.943 1.00 5.24 H new ATOM 0 HG1 THR A 44 2.744 20.617 6.086 1.00 10.21 H new ATOM 0 HG21 THR A 44 4.330 19.188 5.182 1.00 54.15 H new ATOM 0 HG22 THR A 44 3.893 17.473 4.995 1.00 54.15 H new ATOM 0 HG23 THR A 44 3.164 18.698 3.930 1.00 54.15 H new ATOM 644 N GLY A 45 0.920 17.082 7.992 1.00 41.34 N ATOM 645 CA GLY A 45 0.364 17.195 9.330 1.00 43.13 C ATOM 646 C GLY A 45 -0.762 16.203 9.527 1.00 3.20 C ATOM 647 O GLY A 45 -0.531 15.061 9.930 1.00 51.45 O ATOM 0 H GLY A 45 1.847 16.656 7.990 1.00 41.34 H new ATOM 0 HA2 GLY A 45 1.145 17.018 10.070 1.00 43.13 H new ATOM 0 HA3 GLY A 45 -0.005 18.208 9.492 1.00 43.13 H new ATOM 651 N ASP A 46 -1.965 16.647 9.206 1.00 74.03 N ATOM 652 CA ASP A 46 -3.212 15.912 9.327 1.00 33.22 C ATOM 653 C ASP A 46 -3.966 15.923 8.001 1.00 13.40 C ATOM 654 O ASP A 46 -4.510 14.896 7.607 1.00 24.43 O ATOM 655 CB ASP A 46 -4.073 16.484 10.466 1.00 70.15 C ATOM 656 CG ASP A 46 -4.330 17.986 10.299 1.00 32.10 C ATOM 657 OD1 ASP A 46 -5.278 18.383 9.583 1.00 12.32 O ATOM 658 OD2 ASP A 46 -3.503 18.789 10.793 1.00 64.45 O ATOM 0 H ASP A 46 -2.105 17.585 8.832 1.00 74.03 H new ATOM 0 HA ASP A 46 -2.983 14.876 9.575 1.00 33.22 H new ATOM 0 HB2 ASP A 46 -5.026 15.956 10.500 1.00 70.15 H new ATOM 0 HB3 ASP A 46 -3.576 16.306 11.420 1.00 70.15 H new ATOM 662 N ASP A 47 -3.903 17.016 7.238 1.00 30.11 N ATOM 663 CA ASP A 47 -4.541 17.110 5.923 1.00 10.11 C ATOM 664 C ASP A 47 -4.004 16.039 4.984 1.00 23.12 C ATOM 665 O ASP A 47 -4.740 15.536 4.134 1.00 62.31 O ATOM 666 CB ASP A 47 -4.268 18.483 5.289 1.00 32.24 C ATOM 667 CG ASP A 47 -5.522 19.354 5.261 1.00 23.30 C ATOM 668 OD1 ASP A 47 -5.925 19.898 6.319 1.00 74.54 O ATOM 669 OD2 ASP A 47 -6.149 19.429 4.181 1.00 22.32 O ATOM 0 H ASP A 47 -3.407 17.863 7.515 1.00 30.11 H new ATOM 0 HA ASP A 47 -5.612 16.971 6.069 1.00 10.11 H new ATOM 0 HB2 ASP A 47 -3.484 18.993 5.849 1.00 32.24 H new ATOM 0 HB3 ASP A 47 -3.897 18.347 4.273 1.00 32.24 H new ATOM 673 N ALA A 48 -2.712 15.722 5.120 1.00 23.53 N ATOM 674 CA ALA A 48 -2.029 14.737 4.298 1.00 34.40 C ATOM 675 C ALA A 48 -2.514 13.331 4.621 1.00 24.42 C ATOM 676 O ALA A 48 -2.553 12.470 3.742 1.00 13.12 O ATOM 677 CB ALA A 48 -0.529 14.789 4.575 1.00 0.12 C ATOM 0 H ALA A 48 -2.108 16.154 5.819 1.00 23.53 H new ATOM 0 HA ALA A 48 -2.240 14.968 3.254 1.00 34.40 H new ATOM 0 HB1 ALA A 48 -0.019 14.050 3.957 1.00 0.12 H new ATOM 0 HB2 ALA A 48 -0.150 15.783 4.338 1.00 0.12 H new ATOM 0 HB3 ALA A 48 -0.346 14.572 5.627 1.00 0.12 H new ATOM 683 N ARG A 49 -2.855 13.095 5.890 1.00 62.41 N ATOM 684 CA ARG A 49 -3.212 11.760 6.355 1.00 43.11 C ATOM 685 C ARG A 49 -4.470 11.312 5.640 1.00 44.41 C ATOM 686 O ARG A 49 -4.523 10.184 5.162 1.00 24.51 O ATOM 687 CB ARG A 49 -3.406 11.738 7.872 1.00 73.12 C ATOM 688 CG ARG A 49 -2.085 11.953 8.604 1.00 50.32 C ATOM 689 CD ARG A 49 -2.273 12.001 10.113 1.00 23.02 C ATOM 690 NE ARG A 49 -2.309 10.668 10.727 1.00 61.41 N ATOM 691 CZ ARG A 49 -1.896 10.392 11.968 1.00 31.11 C ATOM 692 NH1 ARG A 49 -1.520 11.359 12.796 1.00 1.53 N ATOM 693 NH2 ARG A 49 -1.860 9.137 12.388 1.00 31.14 N ATOM 0 H ARG A 49 -2.890 13.815 6.612 1.00 62.41 H new ATOM 0 HA ARG A 49 -2.400 11.070 6.126 1.00 43.11 H new ATOM 0 HB2 ARG A 49 -4.115 12.514 8.161 1.00 73.12 H new ATOM 0 HB3 ARG A 49 -3.839 10.783 8.171 1.00 73.12 H new ATOM 0 HG2 ARG A 49 -1.394 11.149 8.350 1.00 50.32 H new ATOM 0 HG3 ARG A 49 -1.630 12.884 8.265 1.00 50.32 H new ATOM 0 HD2 ARG A 49 -1.462 12.578 10.557 1.00 23.02 H new ATOM 0 HD3 ARG A 49 -3.200 12.526 10.342 1.00 23.02 H new ATOM 0 HE ARG A 49 -2.675 9.898 10.167 1.00 61.41 H new ATOM 0 HH11 ARG A 49 -1.543 12.331 12.489 1.00 1.53 H new ATOM 0 HH12 ARG A 49 -1.208 11.130 13.740 1.00 1.53 H new ATOM 0 HH21 ARG A 49 -2.147 8.382 11.765 1.00 31.14 H new ATOM 0 HH22 ARG A 49 -1.545 8.925 13.335 1.00 31.14 H new ATOM 704 N ALA A 50 -5.437 12.225 5.497 1.00 21.30 N ATOM 705 CA ALA A 50 -6.655 12.004 4.739 1.00 22.22 C ATOM 706 C ALA A 50 -6.323 11.380 3.384 1.00 0.40 C ATOM 707 O ALA A 50 -6.739 10.260 3.114 1.00 22.54 O ATOM 708 CB ALA A 50 -7.432 13.321 4.620 1.00 54.33 C ATOM 0 H ALA A 50 -5.386 13.153 5.916 1.00 21.30 H new ATOM 0 HA ALA A 50 -7.301 11.296 5.258 1.00 22.22 H new ATOM 0 HB1 ALA A 50 -8.346 13.154 4.051 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -7.686 13.685 5.616 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -6.817 14.062 4.109 1.00 54.33 H new ATOM 714 N TYR A 51 -5.519 12.062 2.571 1.00 55.13 N ATOM 715 CA TYR A 51 -5.102 11.600 1.252 1.00 40.02 C ATOM 716 C TYR A 51 -4.470 10.205 1.301 1.00 3.40 C ATOM 717 O TYR A 51 -4.809 9.332 0.497 1.00 13.33 O ATOM 718 CB TYR A 51 -4.111 12.618 0.690 1.00 64.54 C ATOM 719 CG TYR A 51 -3.730 12.396 -0.755 1.00 35.12 C ATOM 720 CD1 TYR A 51 -2.749 11.447 -1.076 1.00 15.02 C ATOM 721 CD2 TYR A 51 -4.373 13.114 -1.778 1.00 3.01 C ATOM 722 CE1 TYR A 51 -2.468 11.164 -2.420 1.00 31.40 C ATOM 723 CE2 TYR A 51 -4.070 12.861 -3.128 1.00 15.24 C ATOM 724 CZ TYR A 51 -3.121 11.869 -3.456 1.00 40.44 C ATOM 725 OH TYR A 51 -2.864 11.551 -4.755 1.00 64.54 O ATOM 0 H TYR A 51 -5.131 12.972 2.818 1.00 55.13 H new ATOM 0 HA TYR A 51 -5.978 11.518 0.609 1.00 40.02 H new ATOM 0 HB2 TYR A 51 -4.540 13.615 0.790 1.00 64.54 H new ATOM 0 HB3 TYR A 51 -3.206 12.598 1.298 1.00 64.54 H new ATOM 0 HD1 TYR A 51 -2.212 10.936 -0.291 1.00 15.02 H new ATOM 0 HD2 TYR A 51 -5.106 13.866 -1.525 1.00 3.01 H new ATOM 0 HE1 TYR A 51 -1.746 10.400 -2.666 1.00 31.40 H new ATOM 0 HE2 TYR A 51 -4.561 13.423 -3.909 1.00 15.24 H new ATOM 0 HH TYR A 51 -3.709 11.422 -5.234 1.00 64.54 H new ATOM 734 N ALA A 52 -3.541 9.983 2.240 1.00 21.51 N ATOM 735 CA ALA A 52 -2.871 8.696 2.397 1.00 33.33 C ATOM 736 C ALA A 52 -3.877 7.569 2.666 1.00 24.11 C ATOM 737 O ALA A 52 -3.644 6.422 2.283 1.00 73.53 O ATOM 738 CB ALA A 52 -1.833 8.776 3.526 1.00 33.44 C ATOM 0 H ALA A 52 -3.237 10.692 2.908 1.00 21.51 H new ATOM 0 HA ALA A 52 -2.360 8.464 1.462 1.00 33.33 H new ATOM 0 HB1 ALA A 52 -1.339 7.811 3.635 1.00 33.44 H new ATOM 0 HB2 ALA A 52 -1.092 9.538 3.285 1.00 33.44 H new ATOM 0 HB3 ALA A 52 -2.331 9.036 4.460 1.00 33.44 H new ATOM 744 N LEU A 53 -4.992 7.887 3.321 1.00 53.35 N ATOM 745 CA LEU A 53 -6.016 6.938 3.734 1.00 73.35 C ATOM 746 C LEU A 53 -7.094 6.756 2.663 1.00 32.10 C ATOM 747 O LEU A 53 -7.707 5.689 2.622 1.00 32.41 O ATOM 748 CB LEU A 53 -6.625 7.403 5.073 1.00 64.12 C ATOM 749 CG LEU A 53 -5.630 7.251 6.247 1.00 43.25 C ATOM 750 CD1 LEU A 53 -5.938 8.246 7.372 1.00 73.31 C ATOM 751 CD2 LEU A 53 -5.663 5.822 6.808 1.00 22.12 C ATOM 0 H LEU A 53 -5.212 8.847 3.587 1.00 53.35 H new ATOM 0 HA LEU A 53 -5.552 5.961 3.869 1.00 73.35 H new ATOM 0 HB2 LEU A 53 -6.930 8.446 4.989 1.00 64.12 H new ATOM 0 HB3 LEU A 53 -7.524 6.824 5.283 1.00 64.12 H new ATOM 0 HG LEU A 53 -4.635 7.462 5.856 1.00 43.25 H new ATOM 0 HD11 LEU A 53 -5.221 8.113 8.182 1.00 73.31 H new ATOM 0 HD12 LEU A 53 -5.867 9.263 6.987 1.00 73.31 H new ATOM 0 HD13 LEU A 53 -6.946 8.070 7.748 1.00 73.31 H new ATOM 0 HD21 LEU A 53 -4.955 5.738 7.633 1.00 22.12 H new ATOM 0 HD22 LEU A 53 -6.667 5.595 7.167 1.00 22.12 H new ATOM 0 HD23 LEU A 53 -5.390 5.117 6.023 1.00 22.12 H new ATOM 762 N THR A 54 -7.334 7.728 1.779 1.00 73.23 N ATOM 763 CA THR A 54 -8.418 7.630 0.798 1.00 22.41 C ATOM 764 C THR A 54 -8.057 6.715 -0.374 1.00 20.40 C ATOM 765 O THR A 54 -8.948 6.144 -1.000 1.00 21.53 O ATOM 766 CB THR A 54 -8.887 9.022 0.324 1.00 32.44 C ATOM 767 OG1 THR A 54 -7.877 9.834 -0.243 1.00 3.32 O ATOM 768 CG2 THR A 54 -9.466 9.839 1.476 1.00 23.34 C ATOM 0 H THR A 54 -6.793 8.591 1.722 1.00 73.23 H new ATOM 0 HA THR A 54 -9.263 7.164 1.305 1.00 22.41 H new ATOM 0 HB THR A 54 -9.626 8.782 -0.441 1.00 32.44 H new ATOM 0 HG1 THR A 54 -6.998 9.452 -0.040 1.00 3.32 H new ATOM 0 HG21 THR A 54 -9.786 10.813 1.106 1.00 23.34 H new ATOM 0 HG22 THR A 54 -10.321 9.313 1.901 1.00 23.34 H new ATOM 0 HG23 THR A 54 -8.705 9.975 2.244 1.00 23.34 H new ATOM 776 N VAL A 55 -6.763 6.548 -0.664 1.00 62.22 N ATOM 777 CA VAL A 55 -6.282 5.761 -1.797 1.00 13.34 C ATOM 778 C VAL A 55 -6.292 4.248 -1.524 1.00 71.13 C ATOM 779 O VAL A 55 -6.126 3.450 -2.449 1.00 43.44 O ATOM 780 CB VAL A 55 -4.908 6.320 -2.206 1.00 20.40 C ATOM 781 CG1 VAL A 55 -3.821 6.152 -1.135 1.00 62.45 C ATOM 782 CG2 VAL A 55 -4.430 5.757 -3.549 1.00 15.14 C ATOM 0 H VAL A 55 -6.013 6.962 -0.110 1.00 62.22 H new ATOM 0 HA VAL A 55 -6.966 5.862 -2.640 1.00 13.34 H new ATOM 0 HB VAL A 55 -5.070 7.392 -2.317 1.00 20.40 H new ATOM 0 HG11 VAL A 55 -2.883 6.571 -1.500 1.00 62.45 H new ATOM 0 HG12 VAL A 55 -4.122 6.673 -0.226 1.00 62.45 H new ATOM 0 HG13 VAL A 55 -3.685 5.093 -0.918 1.00 62.45 H new ATOM 0 HG21 VAL A 55 -3.456 6.181 -3.795 1.00 15.14 H new ATOM 0 HG22 VAL A 55 -4.347 4.672 -3.480 1.00 15.14 H new ATOM 0 HG23 VAL A 55 -5.146 6.017 -4.328 1.00 15.14 H new ATOM 792 N VAL A 56 -6.496 3.825 -0.277 1.00 32.20 N ATOM 793 CA VAL A 56 -6.760 2.433 0.042 1.00 14.40 C ATOM 794 C VAL A 56 -8.164 2.118 -0.511 1.00 15.12 C ATOM 795 O VAL A 56 -8.939 3.039 -0.772 1.00 52.21 O ATOM 796 CB VAL A 56 -6.637 2.229 1.572 1.00 41.35 C ATOM 797 CG1 VAL A 56 -6.359 0.753 1.889 1.00 63.45 C ATOM 798 CG2 VAL A 56 -5.491 3.049 2.211 1.00 64.14 C ATOM 0 H VAL A 56 -6.482 4.441 0.536 1.00 32.20 H new ATOM 0 HA VAL A 56 -6.044 1.747 -0.410 1.00 14.40 H new ATOM 0 HB VAL A 56 -7.586 2.567 1.987 1.00 41.35 H new ATOM 0 HG11 VAL A 56 -6.275 0.622 2.968 1.00 63.45 H new ATOM 0 HG12 VAL A 56 -7.177 0.140 1.512 1.00 63.45 H new ATOM 0 HG13 VAL A 56 -5.427 0.448 1.413 1.00 63.45 H new ATOM 0 HG21 VAL A 56 -5.462 2.859 3.284 1.00 64.14 H new ATOM 0 HG22 VAL A 56 -4.541 2.756 1.765 1.00 64.14 H new ATOM 0 HG23 VAL A 56 -5.662 4.111 2.035 1.00 64.14 H new ATOM 915 N GLU A 66 -3.994 -2.349 -15.040 1.00 75.34 N ATOM 916 CA GLU A 66 -3.591 -0.944 -14.975 1.00 34.22 C ATOM 917 C GLU A 66 -4.787 0.005 -14.796 1.00 72.42 C ATOM 918 O GLU A 66 -5.262 0.615 -15.762 1.00 0.45 O ATOM 919 CB GLU A 66 -2.767 -0.539 -16.215 1.00 43.12 C ATOM 920 CG GLU A 66 -1.365 -1.157 -16.257 1.00 73.53 C ATOM 921 CD GLU A 66 -0.436 -0.475 -17.262 1.00 44.40 C ATOM 922 OE1 GLU A 66 -0.356 0.774 -17.248 1.00 35.14 O ATOM 923 OE2 GLU A 66 0.332 -1.177 -17.963 1.00 61.50 O ATOM 0 HA GLU A 66 -2.963 -0.847 -14.090 1.00 34.22 H new ATOM 0 HB2 GLU A 66 -3.311 -0.834 -17.113 1.00 43.12 H new ATOM 0 HB3 GLU A 66 -2.676 0.547 -16.240 1.00 43.12 H new ATOM 0 HG2 GLU A 66 -0.920 -1.100 -15.264 1.00 73.53 H new ATOM 0 HG3 GLU A 66 -1.448 -2.214 -16.509 1.00 73.53 H new ATOM 928 N ASP A 67 -5.234 0.217 -13.557 1.00 63.40 N ATOM 929 CA ASP A 67 -6.296 1.181 -13.238 1.00 43.01 C ATOM 930 C ASP A 67 -5.901 2.093 -12.083 1.00 54.44 C ATOM 931 O ASP A 67 -6.156 3.299 -12.125 1.00 20.22 O ATOM 932 CB ASP A 67 -7.610 0.449 -12.937 1.00 41.03 C ATOM 933 CG ASP A 67 -8.275 -0.014 -14.228 1.00 2.03 C ATOM 934 OD1 ASP A 67 -8.906 0.828 -14.907 1.00 11.24 O ATOM 935 OD2 ASP A 67 -8.112 -1.190 -14.620 1.00 24.45 O ATOM 0 H ASP A 67 -4.870 -0.276 -12.741 1.00 63.40 H new ATOM 0 HA ASP A 67 -6.445 1.815 -14.112 1.00 43.01 H new ATOM 0 HB2 ASP A 67 -7.415 -0.409 -12.294 1.00 41.03 H new ATOM 0 HB3 ASP A 67 -8.284 1.110 -12.391 1.00 41.03 H new ATOM 939 N VAL A 68 -5.211 1.553 -11.080 1.00 32.15 N ATOM 940 CA VAL A 68 -4.784 2.312 -9.912 1.00 51.21 C ATOM 941 C VAL A 68 -3.848 3.474 -10.317 1.00 1.15 C ATOM 942 O VAL A 68 -3.910 4.554 -9.715 1.00 2.32 O ATOM 943 CB VAL A 68 -4.189 1.305 -8.909 1.00 15.03 C ATOM 944 CG1 VAL A 68 -2.803 0.859 -9.362 1.00 2.44 C ATOM 945 CG2 VAL A 68 -4.112 1.835 -7.474 1.00 60.20 C ATOM 0 H VAL A 68 -4.932 0.572 -11.057 1.00 32.15 H new ATOM 0 HA VAL A 68 -5.616 2.816 -9.420 1.00 51.21 H new ATOM 0 HB VAL A 68 -4.875 0.458 -8.896 1.00 15.03 H new ATOM 0 HG11 VAL A 68 -2.396 0.148 -8.643 1.00 2.44 H new ATOM 0 HG12 VAL A 68 -2.875 0.384 -10.341 1.00 2.44 H new ATOM 0 HG13 VAL A 68 -2.145 1.726 -9.427 1.00 2.44 H new ATOM 0 HG21 VAL A 68 -3.683 1.070 -6.826 1.00 60.20 H new ATOM 0 HG22 VAL A 68 -3.485 2.726 -7.448 1.00 60.20 H new ATOM 0 HG23 VAL A 68 -5.113 2.086 -7.125 1.00 60.20 H new ATOM 955 N PHE A 69 -3.005 3.296 -11.352 1.00 2.31 N ATOM 956 CA PHE A 69 -2.194 4.362 -11.941 1.00 13.04 C ATOM 957 C PHE A 69 -3.114 5.461 -12.439 1.00 15.43 C ATOM 958 O PHE A 69 -2.947 6.610 -12.039 1.00 3.05 O ATOM 959 CB PHE A 69 -1.314 3.856 -13.094 1.00 40.11 C ATOM 960 CG PHE A 69 -0.694 4.956 -13.941 1.00 4.21 C ATOM 961 CD1 PHE A 69 -1.394 5.478 -15.049 1.00 42.12 C ATOM 962 CD2 PHE A 69 0.546 5.519 -13.588 1.00 2.33 C ATOM 963 CE1 PHE A 69 -0.910 6.600 -15.739 1.00 61.13 C ATOM 964 CE2 PHE A 69 1.012 6.662 -14.260 1.00 24.35 C ATOM 965 CZ PHE A 69 0.282 7.214 -15.327 1.00 54.31 C ATOM 0 H PHE A 69 -2.871 2.392 -11.804 1.00 2.31 H new ATOM 0 HA PHE A 69 -1.524 4.742 -11.170 1.00 13.04 H new ATOM 0 HB2 PHE A 69 -0.516 3.238 -12.682 1.00 40.11 H new ATOM 0 HB3 PHE A 69 -1.914 3.213 -13.738 1.00 40.11 H new ATOM 0 HD1 PHE A 69 -2.312 5.009 -15.370 1.00 42.12 H new ATOM 0 HD2 PHE A 69 1.138 5.074 -12.802 1.00 2.33 H new ATOM 0 HE1 PHE A 69 -1.455 6.990 -16.586 1.00 61.13 H new ATOM 0 HE2 PHE A 69 1.940 7.121 -13.954 1.00 24.35 H new ATOM 0 HZ PHE A 69 0.636 8.104 -15.826 1.00 54.31 H new ATOM 974 N ARG A 70 -4.089 5.132 -13.287 1.00 12.33 N ATOM 975 CA ARG A 70 -4.993 6.107 -13.877 1.00 4.42 C ATOM 976 C ARG A 70 -5.614 6.990 -12.788 1.00 33.40 C ATOM 977 O ARG A 70 -5.803 8.187 -13.014 1.00 15.42 O ATOM 978 CB ARG A 70 -6.011 5.335 -14.742 1.00 14.41 C ATOM 979 CG ARG A 70 -6.775 6.168 -15.770 1.00 1.32 C ATOM 980 CD ARG A 70 -8.029 6.761 -15.145 1.00 63.11 C ATOM 981 NE ARG A 70 -8.781 7.561 -16.104 1.00 71.11 N ATOM 982 CZ ARG A 70 -9.883 8.245 -15.822 1.00 75.54 C ATOM 983 NH1 ARG A 70 -10.450 8.162 -14.619 1.00 54.05 N ATOM 984 NH2 ARG A 70 -10.411 9.012 -16.761 1.00 33.53 N ATOM 0 H ARG A 70 -4.271 4.173 -13.583 1.00 12.33 H new ATOM 0 HA ARG A 70 -4.471 6.807 -14.530 1.00 4.42 H new ATOM 0 HB2 ARG A 70 -5.484 4.539 -15.267 1.00 14.41 H new ATOM 0 HB3 ARG A 70 -6.733 4.857 -14.080 1.00 14.41 H new ATOM 0 HG2 ARG A 70 -6.136 6.967 -16.147 1.00 1.32 H new ATOM 0 HG3 ARG A 70 -7.045 5.546 -16.623 1.00 1.32 H new ATOM 0 HD2 ARG A 70 -8.661 5.958 -14.765 1.00 63.11 H new ATOM 0 HD3 ARG A 70 -7.753 7.380 -14.291 1.00 63.11 H new ATOM 0 HE ARG A 70 -8.435 7.598 -17.063 1.00 71.11 H new ATOM 0 HH11 ARG A 70 -10.037 7.567 -13.901 1.00 54.05 H new ATOM 0 HH12 ARG A 70 -11.297 8.693 -14.417 1.00 54.05 H new ATOM 0 HH21 ARG A 70 -9.972 9.069 -17.680 1.00 33.53 H new ATOM 0 HH22 ARG A 70 -11.258 9.547 -16.567 1.00 33.53 H new ATOM 995 N LYS A 71 -5.872 6.456 -11.584 1.00 13.12 N ATOM 996 CA LYS A 71 -6.469 7.261 -10.513 1.00 24.23 C ATOM 997 C LYS A 71 -5.457 8.224 -9.890 1.00 24.44 C ATOM 998 O LYS A 71 -5.807 9.363 -9.568 1.00 74.33 O ATOM 999 CB LYS A 71 -7.099 6.337 -9.463 1.00 64.51 C ATOM 1000 CG LYS A 71 -8.031 7.094 -8.497 1.00 33.30 C ATOM 1001 CD LYS A 71 -7.416 7.350 -7.117 1.00 63.23 C ATOM 1002 CE LYS A 71 -8.315 8.267 -6.280 1.00 41.05 C ATOM 1003 NZ LYS A 71 -8.218 9.682 -6.696 1.00 24.53 N ATOM 0 H LYS A 71 -5.680 5.486 -11.332 1.00 13.12 H new ATOM 0 HA LYS A 71 -7.253 7.883 -10.944 1.00 24.23 H new ATOM 0 HB2 LYS A 71 -7.663 5.551 -9.966 1.00 64.51 H new ATOM 0 HB3 LYS A 71 -6.309 5.848 -8.893 1.00 64.51 H new ATOM 0 HG2 LYS A 71 -8.305 8.049 -8.945 1.00 33.30 H new ATOM 0 HG3 LYS A 71 -8.952 6.524 -8.374 1.00 33.30 H new ATOM 0 HD2 LYS A 71 -7.271 6.403 -6.597 1.00 63.23 H new ATOM 0 HD3 LYS A 71 -6.432 7.804 -7.231 1.00 63.23 H new ATOM 0 HE2 LYS A 71 -9.350 7.935 -6.367 1.00 41.05 H new ATOM 0 HE3 LYS A 71 -8.040 8.180 -5.229 1.00 41.05 H new ATOM 0 HZ1 LYS A 71 -8.893 10.252 -6.147 1.00 24.53 H new ATOM 0 HZ2 LYS A 71 -7.253 10.029 -6.525 1.00 24.53 H new ATOM 0 HZ3 LYS A 71 -8.440 9.762 -7.709 1.00 24.53 H new ATOM 1013 N LEU A 72 -4.213 7.785 -9.685 1.00 15.24 N ATOM 1014 CA LEU A 72 -3.129 8.651 -9.203 1.00 73.23 C ATOM 1015 C LEU A 72 -2.807 9.733 -10.229 1.00 35.24 C ATOM 1016 O LEU A 72 -2.553 10.866 -9.831 1.00 40.15 O ATOM 1017 CB LEU A 72 -1.845 7.852 -8.898 1.00 11.10 C ATOM 1018 CG LEU A 72 -1.635 7.363 -7.461 1.00 35.14 C ATOM 1019 CD1 LEU A 72 -1.245 8.520 -6.547 1.00 32.32 C ATOM 1020 CD2 LEU A 72 -2.847 6.606 -6.930 1.00 54.01 C ATOM 0 H LEU A 72 -3.927 6.820 -9.848 1.00 15.24 H new ATOM 0 HA LEU A 72 -3.480 9.109 -8.279 1.00 73.23 H new ATOM 0 HB2 LEU A 72 -1.828 6.982 -9.554 1.00 11.10 H new ATOM 0 HB3 LEU A 72 -0.991 8.473 -9.169 1.00 11.10 H new ATOM 0 HG LEU A 72 -0.808 6.653 -7.473 1.00 35.14 H new ATOM 0 HD11 LEU A 72 -1.101 8.149 -5.532 1.00 32.32 H new ATOM 0 HD12 LEU A 72 -0.318 8.969 -6.904 1.00 32.32 H new ATOM 0 HD13 LEU A 72 -2.037 9.269 -6.551 1.00 32.32 H new ATOM 0 HD21 LEU A 72 -2.653 6.279 -5.909 1.00 54.01 H new ATOM 0 HD22 LEU A 72 -3.719 7.261 -6.942 1.00 54.01 H new ATOM 0 HD23 LEU A 72 -3.038 5.737 -7.560 1.00 54.01 H new ATOM 1031 N ALA A 73 -2.809 9.403 -11.520 1.00 42.24 N ATOM 1032 CA ALA A 73 -2.462 10.339 -12.579 1.00 73.22 C ATOM 1033 C ALA A 73 -3.471 11.484 -12.587 1.00 11.34 C ATOM 1034 O ALA A 73 -3.074 12.644 -12.660 1.00 52.05 O ATOM 1035 CB ALA A 73 -2.414 9.611 -13.923 1.00 21.43 C ATOM 0 H ALA A 73 -3.053 8.472 -11.858 1.00 42.24 H new ATOM 0 HA ALA A 73 -1.472 10.760 -12.401 1.00 73.22 H new ATOM 0 HB1 ALA A 73 -2.154 10.318 -14.711 1.00 21.43 H new ATOM 0 HB2 ALA A 73 -1.664 8.821 -13.882 1.00 21.43 H new ATOM 0 HB3 ALA A 73 -3.390 9.174 -14.135 1.00 21.43 H new ATOM 1041 N ALA A 74 -4.757 11.166 -12.386 1.00 60.41 N ATOM 1042 CA ALA A 74 -5.818 12.165 -12.282 1.00 33.34 C ATOM 1043 C ALA A 74 -5.710 13.031 -11.016 1.00 60.22 C ATOM 1044 O ALA A 74 -6.534 13.935 -10.855 1.00 52.02 O ATOM 1045 CB ALA A 74 -7.187 11.472 -12.319 1.00 60.33 C ATOM 0 H ALA A 74 -5.087 10.205 -12.291 1.00 60.41 H new ATOM 0 HA ALA A 74 -5.706 12.835 -13.135 1.00 33.34 H new ATOM 0 HB1 ALA A 74 -7.976 12.220 -12.241 1.00 60.33 H new ATOM 0 HB2 ALA A 74 -7.294 10.928 -13.257 1.00 60.33 H new ATOM 0 HB3 ALA A 74 -7.265 10.775 -11.485 1.00 60.33 H new ATOM 1051 N ASP A 75 -4.760 12.762 -10.114 1.00 23.24 N ATOM 1052 CA ASP A 75 -4.454 13.574 -8.940 1.00 11.40 C ATOM 1053 C ASP A 75 -3.205 14.406 -9.214 1.00 15.41 C ATOM 1054 O ASP A 75 -3.284 15.635 -9.165 1.00 72.11 O ATOM 1055 CB ASP A 75 -4.283 12.707 -7.680 1.00 0.11 C ATOM 1056 CG ASP A 75 -5.484 12.837 -6.753 1.00 52.13 C ATOM 1057 OD1 ASP A 75 -5.667 13.883 -6.102 1.00 52.44 O ATOM 1058 OD2 ASP A 75 -6.259 11.853 -6.652 1.00 31.43 O ATOM 0 H ASP A 75 -4.162 11.939 -10.188 1.00 23.24 H new ATOM 0 HA ASP A 75 -5.293 14.243 -8.748 1.00 11.40 H new ATOM 0 HB2 ASP A 75 -4.154 11.664 -7.968 1.00 0.11 H new ATOM 0 HB3 ASP A 75 -3.378 13.005 -7.151 1.00 0.11 H new ATOM 1062 N LEU A 76 -2.063 13.774 -9.518 1.00 63.24 N ATOM 1063 CA LEU A 76 -0.800 14.461 -9.792 1.00 61.31 C ATOM 1064 C LEU A 76 -0.726 14.963 -11.236 1.00 31.20 C ATOM 1065 O LEU A 76 0.354 14.959 -11.828 1.00 40.11 O ATOM 1066 CB LEU A 76 0.413 13.556 -9.510 1.00 4.13 C ATOM 1067 CG LEU A 76 0.581 12.997 -8.098 1.00 3.34 C ATOM 1068 CD1 LEU A 76 0.179 13.987 -7.003 1.00 23.23 C ATOM 1069 CD2 LEU A 76 -0.131 11.664 -7.927 1.00 71.54 C ATOM 0 H LEU A 76 -1.993 12.758 -9.580 1.00 63.24 H new ATOM 0 HA LEU A 76 -0.769 15.318 -9.119 1.00 61.31 H new ATOM 0 HB2 LEU A 76 0.367 12.713 -10.199 1.00 4.13 H new ATOM 0 HB3 LEU A 76 1.313 14.119 -9.755 1.00 4.13 H new ATOM 0 HG LEU A 76 1.650 12.823 -7.976 1.00 3.34 H new ATOM 0 HD11 LEU A 76 0.323 13.527 -6.026 1.00 23.23 H new ATOM 0 HD12 LEU A 76 0.797 14.882 -7.077 1.00 23.23 H new ATOM 0 HD13 LEU A 76 -0.869 14.259 -7.125 1.00 23.23 H new ATOM 0 HD21 LEU A 76 0.014 11.302 -6.909 1.00 71.54 H new ATOM 0 HD22 LEU A 76 -1.196 11.793 -8.118 1.00 71.54 H new ATOM 0 HD23 LEU A 76 0.278 10.940 -8.631 1.00 71.54 H new ATOM 1080 N GLU A 77 -1.851 15.350 -11.822 1.00 62.22 N ATOM 1081 CA GLU A 77 -1.939 15.827 -13.190 1.00 61.12 C ATOM 1082 C GLU A 77 -1.095 17.105 -13.284 1.00 33.42 C ATOM 1083 O GLU A 77 -1.513 18.148 -12.786 1.00 13.30 O ATOM 1084 CB GLU A 77 -3.421 16.053 -13.540 1.00 71.35 C ATOM 1085 CG GLU A 77 -3.657 16.016 -15.054 1.00 13.04 C ATOM 1086 CD GLU A 77 -4.073 14.614 -15.494 1.00 53.34 C ATOM 1087 OE1 GLU A 77 -3.206 13.734 -15.698 1.00 61.53 O ATOM 1088 OE2 GLU A 77 -5.300 14.391 -15.626 1.00 62.54 O ATOM 0 H GLU A 77 -2.751 15.339 -11.343 1.00 62.22 H new ATOM 0 HA GLU A 77 -1.550 15.108 -13.912 1.00 61.12 H new ATOM 0 HB2 GLU A 77 -4.030 15.288 -13.058 1.00 71.35 H new ATOM 0 HB3 GLU A 77 -3.746 17.015 -13.144 1.00 71.35 H new ATOM 0 HG2 GLU A 77 -4.431 16.734 -15.325 1.00 13.04 H new ATOM 0 HG3 GLU A 77 -2.748 16.314 -15.577 1.00 13.04 H new ATOM 1093 N GLY A 78 0.124 17.032 -13.819 1.00 64.51 N ATOM 1094 CA GLY A 78 1.062 18.148 -13.814 1.00 60.34 C ATOM 1095 C GLY A 78 1.760 18.362 -12.467 1.00 40.12 C ATOM 1096 O GLY A 78 2.062 19.512 -12.128 1.00 53.23 O ATOM 0 H GLY A 78 0.487 16.192 -14.269 1.00 64.51 H new ATOM 0 HA2 GLY A 78 1.817 17.979 -14.581 1.00 60.34 H new ATOM 0 HA3 GLY A 78 0.530 19.059 -14.086 1.00 60.34 H new ATOM 1100 N LYS A 79 1.967 17.307 -11.664 1.00 44.33 N ATOM 1101 CA LYS A 79 2.904 17.278 -10.541 1.00 1.22 C ATOM 1102 C LYS A 79 3.838 16.067 -10.567 1.00 33.34 C ATOM 1103 O LYS A 79 4.964 16.163 -10.075 1.00 11.04 O ATOM 1104 CB LYS A 79 2.202 17.336 -9.187 1.00 61.42 C ATOM 1105 CG LYS A 79 1.501 18.677 -8.970 1.00 53.12 C ATOM 1106 CD LYS A 79 0.040 18.670 -9.418 1.00 43.02 C ATOM 1107 CE LYS A 79 -0.778 19.660 -8.582 1.00 63.13 C ATOM 1108 NZ LYS A 79 -0.529 21.075 -8.945 1.00 35.13 N ATOM 0 H LYS A 79 1.469 16.425 -11.786 1.00 44.33 H new ATOM 0 HA LYS A 79 3.505 18.179 -10.667 1.00 1.22 H new ATOM 0 HB2 LYS A 79 1.472 16.529 -9.121 1.00 61.42 H new ATOM 0 HB3 LYS A 79 2.930 17.173 -8.392 1.00 61.42 H new ATOM 0 HG2 LYS A 79 1.549 18.938 -7.913 1.00 53.12 H new ATOM 0 HG3 LYS A 79 2.038 19.453 -9.515 1.00 53.12 H new ATOM 0 HD2 LYS A 79 -0.025 18.934 -10.473 1.00 43.02 H new ATOM 0 HD3 LYS A 79 -0.374 17.667 -9.315 1.00 43.02 H new ATOM 0 HE2 LYS A 79 -1.839 19.441 -8.706 1.00 63.13 H new ATOM 0 HE3 LYS A 79 -0.544 19.515 -7.527 1.00 63.13 H new ATOM 0 HZ1 LYS A 79 -1.110 21.695 -8.345 1.00 35.13 H new ATOM 0 HZ2 LYS A 79 0.477 21.298 -8.801 1.00 35.13 H new ATOM 0 HZ3 LYS A 79 -0.778 21.226 -9.943 1.00 35.13 H new ATOM 1118 N ALA A 80 3.397 14.911 -11.062 1.00 35.54 N ATOM 1119 CA ALA A 80 4.251 13.763 -11.266 1.00 34.54 C ATOM 1120 C ALA A 80 3.759 13.075 -12.523 1.00 51.42 C ATOM 1121 O ALA A 80 2.568 13.073 -12.825 1.00 34.41 O ATOM 1122 CB ALA A 80 4.229 12.822 -10.058 1.00 60.15 C ATOM 0 H ALA A 80 2.426 14.753 -11.332 1.00 35.54 H new ATOM 0 HA ALA A 80 5.291 14.070 -11.378 1.00 34.54 H new ATOM 0 HB1 ALA A 80 4.883 11.971 -10.248 1.00 60.15 H new ATOM 0 HB2 ALA A 80 4.577 13.356 -9.174 1.00 60.15 H new ATOM 0 HB3 ALA A 80 3.212 12.468 -9.891 1.00 60.15 H new ATOM 1128 N ASP A 81 4.706 12.524 -13.249 1.00 32.43 N ATOM 1129 CA ASP A 81 4.570 12.034 -14.611 1.00 21.31 C ATOM 1130 C ASP A 81 4.496 10.513 -14.572 1.00 12.13 C ATOM 1131 O ASP A 81 4.812 9.908 -13.546 1.00 71.20 O ATOM 1132 CB ASP A 81 5.796 12.492 -15.412 1.00 12.43 C ATOM 1133 CG ASP A 81 6.042 13.990 -15.227 1.00 4.15 C ATOM 1134 OD1 ASP A 81 6.727 14.388 -14.252 1.00 12.21 O ATOM 1135 OD2 ASP A 81 5.407 14.784 -15.948 1.00 41.32 O ATOM 0 H ASP A 81 5.651 12.396 -12.886 1.00 32.43 H new ATOM 0 HA ASP A 81 3.667 12.422 -15.082 1.00 21.31 H new ATOM 0 HB2 ASP A 81 6.675 11.933 -15.090 1.00 12.43 H new ATOM 0 HB3 ASP A 81 5.647 12.272 -16.469 1.00 12.43 H new ATOM 1139 N GLU A 82 4.148 9.857 -15.676 1.00 51.02 N ATOM 1140 CA GLU A 82 4.109 8.396 -15.738 1.00 63.50 C ATOM 1141 C GLU A 82 5.484 7.815 -15.388 1.00 15.44 C ATOM 1142 O GLU A 82 5.595 6.869 -14.602 1.00 63.33 O ATOM 1143 CB GLU A 82 3.635 7.915 -17.118 1.00 23.12 C ATOM 1144 CG GLU A 82 3.287 6.421 -17.115 1.00 24.21 C ATOM 1145 CD GLU A 82 3.611 5.753 -18.443 1.00 41.23 C ATOM 1146 OE1 GLU A 82 2.771 5.761 -19.369 1.00 13.12 O ATOM 1147 OE2 GLU A 82 4.709 5.164 -18.547 1.00 71.32 O ATOM 0 H GLU A 82 3.887 10.318 -16.548 1.00 51.02 H new ATOM 0 HA GLU A 82 3.389 8.037 -15.003 1.00 63.50 H new ATOM 0 HB2 GLU A 82 2.761 8.491 -17.422 1.00 23.12 H new ATOM 0 HB3 GLU A 82 4.414 8.105 -17.856 1.00 23.12 H new ATOM 0 HG2 GLU A 82 3.837 5.923 -16.316 1.00 24.21 H new ATOM 0 HG3 GLU A 82 2.226 6.297 -16.897 1.00 24.21 H new ATOM 1152 N GLU A 83 6.531 8.468 -15.886 1.00 20.53 N ATOM 1153 CA GLU A 83 7.945 8.185 -15.664 1.00 2.21 C ATOM 1154 C GLU A 83 8.339 8.236 -14.172 1.00 75.34 C ATOM 1155 O GLU A 83 9.420 7.778 -13.813 1.00 12.32 O ATOM 1156 CB GLU A 83 8.723 9.220 -16.487 1.00 52.21 C ATOM 1157 CG GLU A 83 10.194 8.867 -16.747 1.00 51.22 C ATOM 1158 CD GLU A 83 10.900 10.026 -17.450 1.00 63.14 C ATOM 1159 OE1 GLU A 83 10.921 11.137 -16.869 1.00 31.55 O ATOM 1160 OE2 GLU A 83 11.448 9.846 -18.557 1.00 61.33 O ATOM 0 H GLU A 83 6.402 9.270 -16.503 1.00 20.53 H new ATOM 0 HA GLU A 83 8.178 7.167 -15.977 1.00 2.21 H new ATOM 0 HB2 GLU A 83 8.221 9.352 -17.446 1.00 52.21 H new ATOM 0 HB3 GLU A 83 8.681 10.179 -15.971 1.00 52.21 H new ATOM 0 HG2 GLU A 83 10.694 8.645 -15.804 1.00 51.22 H new ATOM 0 HG3 GLU A 83 10.257 7.968 -17.360 1.00 51.22 H new ATOM 1165 N THR A 84 7.472 8.756 -13.297 1.00 21.45 N ATOM 1166 CA THR A 84 7.706 8.904 -11.869 1.00 32.12 C ATOM 1167 C THR A 84 6.648 8.122 -11.087 1.00 53.34 C ATOM 1168 O THR A 84 6.988 7.267 -10.275 1.00 13.02 O ATOM 1169 CB THR A 84 7.725 10.405 -11.521 1.00 73.11 C ATOM 1170 OG1 THR A 84 8.590 11.119 -12.382 1.00 13.14 O ATOM 1171 CG2 THR A 84 8.152 10.663 -10.074 1.00 41.11 C ATOM 0 H THR A 84 6.554 9.097 -13.582 1.00 21.45 H new ATOM 0 HA THR A 84 8.673 8.488 -11.587 1.00 32.12 H new ATOM 0 HB THR A 84 6.701 10.755 -11.650 1.00 73.11 H new ATOM 0 HG1 THR A 84 8.582 12.069 -12.140 1.00 13.14 H new ATOM 0 HG21 THR A 84 8.149 11.736 -9.879 1.00 41.11 H new ATOM 0 HG22 THR A 84 7.456 10.169 -9.396 1.00 41.11 H new ATOM 0 HG23 THR A 84 9.155 10.268 -9.915 1.00 41.11 H new ATOM 1179 N ILE A 85 5.356 8.359 -11.310 1.00 21.24 N ATOM 1180 CA ILE A 85 4.306 7.682 -10.567 1.00 73.34 C ATOM 1181 C ILE A 85 4.369 6.170 -10.793 1.00 14.04 C ATOM 1182 O ILE A 85 4.368 5.430 -9.807 1.00 52.30 O ATOM 1183 CB ILE A 85 2.909 8.169 -10.964 1.00 35.25 C ATOM 1184 CG1 ILE A 85 2.688 9.701 -10.993 1.00 13.21 C ATOM 1185 CG2 ILE A 85 1.919 7.530 -9.964 1.00 21.12 C ATOM 1186 CD1 ILE A 85 1.477 10.105 -11.844 1.00 64.31 C ATOM 0 H ILE A 85 5.014 9.021 -12.006 1.00 21.24 H new ATOM 0 HA ILE A 85 4.476 7.916 -9.516 1.00 73.34 H new ATOM 0 HB ILE A 85 2.759 7.867 -12.001 1.00 35.25 H new ATOM 0 HG12 ILE A 85 2.549 10.064 -9.975 1.00 13.21 H new ATOM 0 HG13 ILE A 85 3.582 10.186 -11.385 1.00 13.21 H new ATOM 0 HG21 ILE A 85 0.904 7.847 -10.204 1.00 21.12 H new ATOM 0 HG22 ILE A 85 1.985 6.444 -10.030 1.00 21.12 H new ATOM 0 HG23 ILE A 85 2.168 7.848 -8.952 1.00 21.12 H new ATOM 0 HD11 ILE A 85 1.368 11.189 -11.830 1.00 64.31 H new ATOM 0 HD12 ILE A 85 1.625 9.769 -12.870 1.00 64.31 H new ATOM 0 HD13 ILE A 85 0.577 9.644 -11.437 1.00 64.31 H new ATOM 1197 N ARG A 86 4.409 5.680 -12.048 1.00 35.21 N ATOM 1198 CA ARG A 86 4.516 4.230 -12.253 1.00 40.04 C ATOM 1199 C ARG A 86 5.804 3.730 -11.616 1.00 12.11 C ATOM 1200 O ARG A 86 5.812 2.597 -11.144 1.00 44.24 O ATOM 1201 CB ARG A 86 4.495 3.788 -13.725 1.00 74.10 C ATOM 1202 CG ARG A 86 3.124 3.769 -14.394 1.00 14.05 C ATOM 1203 CD ARG A 86 3.187 3.051 -15.747 1.00 53.02 C ATOM 1204 NE ARG A 86 3.148 1.584 -15.600 1.00 51.10 N ATOM 1205 CZ ARG A 86 2.807 0.743 -16.583 1.00 44.01 C ATOM 1206 NH1 ARG A 86 2.794 1.146 -17.844 1.00 1.45 N ATOM 1207 NH2 ARG A 86 2.464 -0.510 -16.308 1.00 15.44 N ATOM 0 H ARG A 86 4.371 6.242 -12.899 1.00 35.21 H new ATOM 0 HA ARG A 86 3.630 3.797 -11.788 1.00 40.04 H new ATOM 0 HB2 ARG A 86 5.146 4.452 -14.293 1.00 74.10 H new ATOM 0 HB3 ARG A 86 4.924 2.788 -13.790 1.00 74.10 H new ATOM 0 HG2 ARG A 86 2.405 3.269 -13.745 1.00 14.05 H new ATOM 0 HG3 ARG A 86 2.769 4.790 -14.535 1.00 14.05 H new ATOM 0 HD2 ARG A 86 2.352 3.375 -16.368 1.00 53.02 H new ATOM 0 HD3 ARG A 86 4.101 3.338 -16.267 1.00 53.02 H new ATOM 0 HE ARG A 86 3.396 1.187 -14.694 1.00 51.10 H new ATOM 0 HH11 ARG A 86 3.046 2.107 -18.075 1.00 1.45 H new ATOM 0 HH12 ARG A 86 2.532 0.495 -18.585 1.00 1.45 H new ATOM 0 HH21 ARG A 86 2.459 -0.837 -15.342 1.00 15.44 H new ATOM 0 HH22 ARG A 86 2.205 -1.145 -17.063 1.00 15.44 H new ATOM 1218 N ALA A 87 6.838 4.573 -11.557 1.00 62.34 N ATOM 1219 CA ALA A 87 8.117 4.196 -10.957 1.00 23.41 C ATOM 1220 C ALA A 87 7.892 3.826 -9.493 1.00 61.33 C ATOM 1221 O ALA A 87 8.064 2.674 -9.109 1.00 12.32 O ATOM 1222 CB ALA A 87 9.190 5.280 -11.131 1.00 34.02 C ATOM 0 H ALA A 87 6.812 5.526 -11.920 1.00 62.34 H new ATOM 0 HA ALA A 87 8.507 3.325 -11.483 1.00 23.41 H new ATOM 0 HB1 ALA A 87 10.120 4.950 -10.668 1.00 34.02 H new ATOM 0 HB2 ALA A 87 9.358 5.459 -12.193 1.00 34.02 H new ATOM 0 HB3 ALA A 87 8.856 6.202 -10.656 1.00 34.02 H new ATOM 1228 N LYS A 88 7.406 4.756 -8.673 1.00 20.04 N ATOM 1229 CA LYS A 88 7.102 4.492 -7.262 1.00 1.54 C ATOM 1230 C LYS A 88 6.017 3.435 -7.100 1.00 4.15 C ATOM 1231 O LYS A 88 6.000 2.693 -6.117 1.00 31.15 O ATOM 1232 CB LYS A 88 6.703 5.794 -6.550 1.00 52.21 C ATOM 1233 CG LYS A 88 7.940 6.695 -6.337 1.00 22.01 C ATOM 1234 CD LYS A 88 7.863 8.056 -7.035 1.00 62.23 C ATOM 1235 CE LYS A 88 9.065 8.974 -6.761 1.00 15.45 C ATOM 1236 NZ LYS A 88 10.355 8.433 -7.248 1.00 54.14 N ATOM 0 H LYS A 88 7.211 5.714 -8.965 1.00 20.04 H new ATOM 0 HA LYS A 88 8.006 4.098 -6.798 1.00 1.54 H new ATOM 0 HB2 LYS A 88 5.957 6.325 -7.141 1.00 52.21 H new ATOM 0 HB3 LYS A 88 6.244 5.564 -5.589 1.00 52.21 H new ATOM 0 HG2 LYS A 88 8.076 6.857 -5.268 1.00 22.01 H new ATOM 0 HG3 LYS A 88 8.824 6.167 -6.695 1.00 22.01 H new ATOM 0 HD2 LYS A 88 7.780 7.896 -8.110 1.00 62.23 H new ATOM 0 HD3 LYS A 88 6.952 8.564 -6.717 1.00 62.23 H new ATOM 0 HE2 LYS A 88 8.886 9.941 -7.232 1.00 15.45 H new ATOM 0 HE3 LYS A 88 9.138 9.151 -5.688 1.00 15.45 H new ATOM 0 HZ1 LYS A 88 11.118 9.105 -7.029 1.00 54.14 H new ATOM 0 HZ2 LYS A 88 10.549 7.524 -6.781 1.00 54.14 H new ATOM 0 HZ3 LYS A 88 10.305 8.290 -8.277 1.00 54.14 H new ATOM 1246 N MET A 89 5.089 3.338 -8.046 1.00 13.23 N ATOM 1247 CA MET A 89 4.064 2.313 -8.015 1.00 55.40 C ATOM 1248 C MET A 89 4.680 0.912 -8.128 1.00 14.23 C ATOM 1249 O MET A 89 4.202 -0.002 -7.450 1.00 31.35 O ATOM 1250 CB MET A 89 3.003 2.611 -9.073 1.00 13.03 C ATOM 1251 CG MET A 89 1.820 1.640 -9.011 1.00 15.43 C ATOM 1252 SD MET A 89 0.601 1.918 -10.313 1.00 40.22 S ATOM 1253 CE MET A 89 1.408 1.025 -11.672 1.00 3.34 C ATOM 0 H MET A 89 5.030 3.965 -8.848 1.00 13.23 H new ATOM 0 HA MET A 89 3.557 2.326 -7.050 1.00 55.40 H new ATOM 0 HB2 MET A 89 2.639 3.630 -8.940 1.00 13.03 H new ATOM 0 HB3 MET A 89 3.458 2.561 -10.062 1.00 13.03 H new ATOM 0 HG2 MET A 89 2.193 0.618 -9.084 1.00 15.43 H new ATOM 0 HG3 MET A 89 1.333 1.733 -8.040 1.00 15.43 H new ATOM 0 HE1 MET A 89 0.790 1.090 -12.568 1.00 3.34 H new ATOM 0 HE2 MET A 89 2.383 1.469 -11.871 1.00 3.34 H new ATOM 0 HE3 MET A 89 1.535 -0.021 -11.395 1.00 3.34 H new ATOM 1261 N VAL A 90 5.737 0.725 -8.922 1.00 43.34 N ATOM 1262 CA VAL A 90 6.586 -0.460 -8.886 1.00 31.22 C ATOM 1263 C VAL A 90 7.352 -0.478 -7.555 1.00 72.34 C ATOM 1264 O VAL A 90 7.154 -1.388 -6.753 1.00 21.33 O ATOM 1265 CB VAL A 90 7.526 -0.477 -10.118 1.00 71.40 C ATOM 1266 CG1 VAL A 90 8.490 -1.665 -10.026 1.00 41.42 C ATOM 1267 CG2 VAL A 90 6.765 -0.622 -11.445 1.00 52.22 C ATOM 0 H VAL A 90 6.029 1.409 -9.620 1.00 43.34 H new ATOM 0 HA VAL A 90 5.985 -1.368 -8.940 1.00 31.22 H new ATOM 0 HB VAL A 90 8.052 0.478 -10.108 1.00 71.40 H new ATOM 0 HG11 VAL A 90 9.147 -1.669 -10.896 1.00 41.42 H new ATOM 0 HG12 VAL A 90 9.089 -1.578 -9.120 1.00 41.42 H new ATOM 0 HG13 VAL A 90 7.921 -2.594 -9.997 1.00 41.42 H new ATOM 0 HG21 VAL A 90 7.474 -0.628 -12.273 1.00 52.22 H new ATOM 0 HG22 VAL A 90 6.203 -1.556 -11.442 1.00 52.22 H new ATOM 0 HG23 VAL A 90 6.077 0.215 -11.563 1.00 52.22 H new ATOM 1277 N GLU A 91 8.191 0.527 -7.303 1.00 51.42 N ATOM 1278 CA GLU A 91 9.256 0.558 -6.296 1.00 3.41 C ATOM 1279 C GLU A 91 8.782 0.524 -4.841 1.00 22.04 C ATOM 1280 O GLU A 91 9.601 0.507 -3.931 1.00 73.42 O ATOM 1281 CB GLU A 91 10.101 1.817 -6.530 1.00 24.12 C ATOM 1282 CG GLU A 91 11.569 1.615 -6.128 1.00 62.02 C ATOM 1283 CD GLU A 91 12.413 2.858 -6.404 1.00 13.54 C ATOM 1284 OE1 GLU A 91 12.154 3.568 -7.406 1.00 15.35 O ATOM 1285 OE2 GLU A 91 13.339 3.128 -5.602 1.00 13.14 O ATOM 0 H GLU A 91 8.143 1.399 -7.830 1.00 51.42 H new ATOM 0 HA GLU A 91 9.829 -0.360 -6.427 1.00 3.41 H new ATOM 0 HB2 GLU A 91 10.050 2.096 -7.582 1.00 24.12 H new ATOM 0 HB3 GLU A 91 9.681 2.645 -5.960 1.00 24.12 H new ATOM 0 HG2 GLU A 91 11.624 1.367 -5.068 1.00 62.02 H new ATOM 0 HG3 GLU A 91 11.982 0.767 -6.675 1.00 62.02 H new ATOM 1290 N LEU A 92 7.477 0.537 -4.598 1.00 20.21 N ATOM 1291 CA LEU A 92 6.886 0.398 -3.275 1.00 35.01 C ATOM 1292 C LEU A 92 6.122 -0.916 -3.153 1.00 54.32 C ATOM 1293 O LEU A 92 5.726 -1.297 -2.057 1.00 54.31 O ATOM 1294 CB LEU A 92 5.963 1.601 -3.031 1.00 71.23 C ATOM 1295 CG LEU A 92 6.717 2.930 -2.819 1.00 12.25 C ATOM 1296 CD1 LEU A 92 5.730 4.101 -2.854 1.00 72.01 C ATOM 1297 CD2 LEU A 92 7.492 2.942 -1.501 1.00 32.21 C ATOM 0 H LEU A 92 6.783 0.648 -5.337 1.00 20.21 H new ATOM 0 HA LEU A 92 7.671 0.379 -2.519 1.00 35.01 H new ATOM 0 HB2 LEU A 92 5.289 1.708 -3.881 1.00 71.23 H new ATOM 0 HB3 LEU A 92 5.344 1.401 -2.156 1.00 71.23 H new ATOM 0 HG LEU A 92 7.440 3.033 -3.629 1.00 12.25 H new ATOM 0 HD11 LEU A 92 6.269 5.036 -2.704 1.00 72.01 H new ATOM 0 HD12 LEU A 92 5.227 4.124 -3.821 1.00 72.01 H new ATOM 0 HD13 LEU A 92 4.991 3.977 -2.063 1.00 72.01 H new ATOM 0 HD21 LEU A 92 8.008 3.896 -1.391 1.00 32.21 H new ATOM 0 HD22 LEU A 92 6.799 2.807 -0.670 1.00 32.21 H new ATOM 0 HD23 LEU A 92 8.222 2.132 -1.501 1.00 32.21 H new ATOM 1308 N ARG A 93 5.874 -1.628 -4.256 1.00 15.43 N ATOM 1309 CA ARG A 93 4.994 -2.788 -4.266 1.00 72.10 C ATOM 1310 C ARG A 93 5.711 -3.988 -3.658 1.00 53.51 C ATOM 1311 O ARG A 93 5.232 -4.558 -2.678 1.00 32.04 O ATOM 1312 CB ARG A 93 4.482 -3.058 -5.697 1.00 13.53 C ATOM 1313 CG ARG A 93 2.965 -3.278 -5.766 1.00 62.40 C ATOM 1314 CD ARG A 93 2.154 -2.028 -5.377 1.00 75.12 C ATOM 1315 NE ARG A 93 0.781 -2.016 -5.921 1.00 51.14 N ATOM 1316 CZ ARG A 93 0.386 -1.990 -7.204 1.00 53.13 C ATOM 1317 NH1 ARG A 93 1.268 -1.830 -8.185 1.00 4.25 N ATOM 1318 NH2 ARG A 93 -0.901 -2.131 -7.498 1.00 74.20 N ATOM 0 H ARG A 93 6.281 -1.412 -5.166 1.00 15.43 H new ATOM 0 HA ARG A 93 4.116 -2.593 -3.650 1.00 72.10 H new ATOM 0 HB2 ARG A 93 4.750 -2.217 -6.336 1.00 13.53 H new ATOM 0 HB3 ARG A 93 4.988 -3.936 -6.097 1.00 13.53 H new ATOM 0 HG2 ARG A 93 2.693 -3.579 -6.778 1.00 62.40 H new ATOM 0 HG3 ARG A 93 2.693 -4.100 -5.105 1.00 62.40 H new ATOM 0 HD2 ARG A 93 2.105 -1.962 -4.290 1.00 75.12 H new ATOM 0 HD3 ARG A 93 2.681 -1.141 -5.727 1.00 75.12 H new ATOM 0 HE ARG A 93 0.032 -2.029 -5.229 1.00 51.14 H new ATOM 0 HH11 ARG A 93 2.259 -1.725 -7.968 1.00 4.25 H new ATOM 0 HH12 ARG A 93 0.954 -1.812 -9.155 1.00 4.25 H new ATOM 0 HH21 ARG A 93 -1.584 -2.258 -6.751 1.00 74.20 H new ATOM 0 HH22 ARG A 93 -1.207 -2.112 -8.471 1.00 74.20 H new ATOM 1329 N ALA A 94 6.878 -4.325 -4.211 1.00 55.20 N ATOM 1330 CA ALA A 94 7.740 -5.406 -3.742 1.00 1.41 C ATOM 1331 C ALA A 94 8.228 -5.167 -2.302 1.00 71.10 C ATOM 1332 O ALA A 94 8.504 -6.115 -1.562 1.00 74.33 O ATOM 1333 CB ALA A 94 8.929 -5.497 -4.704 1.00 22.35 C ATOM 0 H ALA A 94 7.259 -3.837 -5.022 1.00 55.20 H new ATOM 0 HA ALA A 94 7.179 -6.340 -3.727 1.00 1.41 H new ATOM 0 HB1 ALA A 94 9.596 -6.297 -4.383 1.00 22.35 H new ATOM 0 HB2 ALA A 94 8.567 -5.708 -5.710 1.00 22.35 H new ATOM 0 HB3 ALA A 94 9.470 -4.551 -4.704 1.00 22.35 H new ATOM 1339 N THR A 95 8.330 -3.900 -1.918 1.00 11.44 N ATOM 1340 CA THR A 95 8.790 -3.383 -0.637 1.00 35.02 C ATOM 1341 C THR A 95 7.692 -3.572 0.406 1.00 60.32 C ATOM 1342 O THR A 95 7.930 -4.188 1.439 1.00 41.11 O ATOM 1343 CB THR A 95 9.151 -1.899 -0.824 1.00 71.24 C ATOM 1344 OG1 THR A 95 9.807 -1.745 -2.067 1.00 14.45 O ATOM 1345 CG2 THR A 95 10.059 -1.366 0.278 1.00 72.44 C ATOM 0 H THR A 95 8.070 -3.144 -2.551 1.00 11.44 H new ATOM 0 HA THR A 95 9.673 -3.918 -0.287 1.00 35.02 H new ATOM 0 HB THR A 95 8.222 -1.330 -0.785 1.00 71.24 H new ATOM 0 HG1 THR A 95 9.545 -0.892 -2.472 1.00 14.45 H new ATOM 0 HG21 THR A 95 10.279 -0.315 0.092 1.00 72.44 H new ATOM 0 HG22 THR A 95 9.560 -1.467 1.242 1.00 72.44 H new ATOM 0 HG23 THR A 95 10.989 -1.935 0.290 1.00 72.44 H new ATOM 1353 N ALA A 96 6.460 -3.165 0.091 1.00 24.42 N ATOM 1354 CA ALA A 96 5.267 -3.359 0.906 1.00 61.40 C ATOM 1355 C ALA A 96 4.810 -4.824 0.982 1.00 62.31 C ATOM 1356 O ALA A 96 3.671 -5.110 1.350 1.00 63.31 O ATOM 1357 CB ALA A 96 4.162 -2.484 0.335 1.00 72.42 C ATOM 0 H ALA A 96 6.262 -2.670 -0.778 1.00 24.42 H new ATOM 0 HA ALA A 96 5.505 -3.075 1.931 1.00 61.40 H new ATOM 0 HB1 ALA A 96 3.256 -2.610 0.927 1.00 72.42 H new ATOM 0 HB2 ALA A 96 4.473 -1.440 0.365 1.00 72.42 H new ATOM 0 HB3 ALA A 96 3.965 -2.774 -0.697 1.00 72.42 H new ATOM 1363 N ARG A 97 5.634 -5.779 0.554 1.00 72.00 N ATOM 1364 CA ARG A 97 5.587 -7.154 1.016 1.00 34.12 C ATOM 1365 C ARG A 97 6.447 -7.232 2.273 1.00 20.33 C ATOM 1366 O ARG A 97 5.919 -7.449 3.357 1.00 3.11 O ATOM 1367 CB ARG A 97 6.094 -8.080 -0.112 1.00 55.30 C ATOM 1368 CG ARG A 97 5.025 -9.076 -0.592 1.00 1.41 C ATOM 1369 CD ARG A 97 5.493 -10.538 -0.605 1.00 24.31 C ATOM 1370 NE ARG A 97 4.359 -11.447 -0.856 1.00 42.50 N ATOM 1371 CZ ARG A 97 4.261 -12.726 -0.469 1.00 54.20 C ATOM 1372 NH1 ARG A 97 5.280 -13.352 0.098 1.00 13.23 N ATOM 1373 NH2 ARG A 97 3.125 -13.389 -0.631 1.00 12.12 N ATOM 0 H ARG A 97 6.365 -5.609 -0.137 1.00 72.00 H new ATOM 0 HA ARG A 97 4.576 -7.479 1.261 1.00 34.12 H new ATOM 0 HB2 ARG A 97 6.422 -7.472 -0.955 1.00 55.30 H new ATOM 0 HB3 ARG A 97 6.965 -8.632 0.241 1.00 55.30 H new ATOM 0 HG2 ARG A 97 4.150 -8.991 0.052 1.00 1.41 H new ATOM 0 HG3 ARG A 97 4.709 -8.798 -1.597 1.00 1.41 H new ATOM 0 HD2 ARG A 97 6.252 -10.675 -1.375 1.00 24.31 H new ATOM 0 HD3 ARG A 97 5.959 -10.784 0.349 1.00 24.31 H new ATOM 0 HE ARG A 97 3.570 -11.063 -1.376 1.00 42.50 H new ATOM 0 HH11 ARG A 97 6.161 -12.860 0.248 1.00 13.23 H new ATOM 0 HH12 ARG A 97 5.184 -14.326 0.385 1.00 13.23 H new ATOM 0 HH21 ARG A 97 2.320 -12.926 -1.052 1.00 12.12 H new ATOM 0 HH22 ARG A 97 3.056 -14.363 -0.335 1.00 12.12 H new ATOM 1384 N GLU A 98 7.747 -6.979 2.136 1.00 55.43 N ATOM 1385 CA GLU A 98 8.736 -7.125 3.190 1.00 35.24 C ATOM 1386 C GLU A 98 8.441 -6.255 4.418 1.00 0.51 C ATOM 1387 O GLU A 98 8.519 -6.713 5.564 1.00 42.34 O ATOM 1388 CB GLU A 98 10.111 -6.799 2.586 1.00 52.50 C ATOM 1389 CG GLU A 98 10.718 -8.030 1.900 1.00 44.21 C ATOM 1390 CD GLU A 98 11.043 -9.178 2.869 1.00 2.53 C ATOM 1391 OE1 GLU A 98 11.045 -8.959 4.103 1.00 2.55 O ATOM 1392 OE2 GLU A 98 11.250 -10.305 2.368 1.00 24.24 O ATOM 0 H GLU A 98 8.150 -6.656 1.256 1.00 55.43 H new ATOM 0 HA GLU A 98 8.711 -8.150 3.560 1.00 35.24 H new ATOM 0 HB2 GLU A 98 10.012 -5.988 1.864 1.00 52.50 H new ATOM 0 HB3 GLU A 98 10.782 -6.448 3.370 1.00 52.50 H new ATOM 0 HG2 GLU A 98 10.024 -8.392 1.141 1.00 44.21 H new ATOM 0 HG3 GLU A 98 11.630 -7.734 1.382 1.00 44.21 H new ATOM 1397 N GLN A 99 8.035 -5.011 4.176 1.00 54.54 N ATOM 1398 CA GLN A 99 7.648 -4.032 5.181 1.00 71.40 C ATOM 1399 C GLN A 99 6.451 -4.461 6.034 1.00 51.23 C ATOM 1400 O GLN A 99 6.119 -3.756 6.980 1.00 75.14 O ATOM 1401 CB GLN A 99 7.292 -2.734 4.462 1.00 33.14 C ATOM 1402 CG GLN A 99 8.506 -1.933 3.998 1.00 0.54 C ATOM 1403 CD GLN A 99 8.040 -0.708 3.215 1.00 20.02 C ATOM 1404 OE1 GLN A 99 7.082 -0.771 2.446 1.00 13.45 O ATOM 1405 NE2 GLN A 99 8.717 0.413 3.359 1.00 21.14 N ATOM 0 H GLN A 99 7.965 -4.643 3.227 1.00 54.54 H new ATOM 0 HA GLN A 99 8.491 -3.917 5.862 1.00 71.40 H new ATOM 0 HB2 GLN A 99 6.670 -2.967 3.598 1.00 33.14 H new ATOM 0 HB3 GLN A 99 6.692 -2.114 5.128 1.00 33.14 H new ATOM 0 HG2 GLN A 99 9.101 -1.624 4.857 1.00 0.54 H new ATOM 0 HG3 GLN A 99 9.148 -2.554 3.373 1.00 0.54 H new ATOM 0 HE21 GLN A 99 9.509 0.451 4.000 1.00 21.14 H new ATOM 0 HE22 GLN A 99 8.449 1.242 2.829 1.00 21.14 H new ATOM 1412 N ILE A 100 5.773 -5.569 5.730 1.00 12.41 N ATOM 1413 CA ILE A 100 4.783 -6.127 6.636 1.00 54.33 C ATOM 1414 C ILE A 100 5.462 -6.552 7.931 1.00 63.11 C ATOM 1415 O ILE A 100 5.182 -5.952 8.964 1.00 14.11 O ATOM 1416 CB ILE A 100 3.978 -7.259 5.960 1.00 35.05 C ATOM 1417 CG1 ILE A 100 3.030 -6.683 4.879 1.00 60.02 C ATOM 1418 CG2 ILE A 100 3.221 -8.140 6.977 1.00 54.50 C ATOM 1419 CD1 ILE A 100 2.172 -5.481 5.301 1.00 32.31 C ATOM 0 H ILE A 100 5.895 -6.093 4.863 1.00 12.41 H new ATOM 0 HA ILE A 100 4.047 -5.365 6.892 1.00 54.33 H new ATOM 0 HB ILE A 100 4.695 -7.917 5.469 1.00 35.05 H new ATOM 0 HG12 ILE A 100 3.630 -6.390 4.018 1.00 60.02 H new ATOM 0 HG13 ILE A 100 2.364 -7.480 4.547 1.00 60.02 H new ATOM 0 HG21 ILE A 100 2.673 -8.919 6.447 1.00 54.50 H new ATOM 0 HG22 ILE A 100 3.934 -8.600 7.661 1.00 54.50 H new ATOM 0 HG23 ILE A 100 2.521 -7.524 7.542 1.00 54.50 H new ATOM 0 HD11 ILE A 100 1.550 -5.166 4.463 1.00 32.31 H new ATOM 0 HD12 ILE A 100 1.535 -5.765 6.139 1.00 32.31 H new ATOM 0 HD13 ILE A 100 2.821 -4.658 5.601 1.00 32.31 H new ATOM 1430 N ILE A 101 6.312 -7.579 7.908 1.00 75.34 N ATOM 1431 CA ILE A 101 6.898 -8.115 9.130 1.00 71.40 C ATOM 1432 C ILE A 101 7.840 -7.072 9.723 1.00 44.43 C ATOM 1433 O ILE A 101 7.874 -6.908 10.934 1.00 11.52 O ATOM 1434 CB ILE A 101 7.596 -9.454 8.836 1.00 35.15 C ATOM 1435 CG1 ILE A 101 6.597 -10.509 8.315 1.00 64.40 C ATOM 1436 CG2 ILE A 101 8.350 -9.992 10.059 1.00 73.30 C ATOM 1437 CD1 ILE A 101 5.686 -11.147 9.368 1.00 14.35 C ATOM 0 H ILE A 101 6.608 -8.054 7.055 1.00 75.34 H new ATOM 0 HA ILE A 101 6.125 -8.324 9.870 1.00 71.40 H new ATOM 0 HB ILE A 101 8.329 -9.257 8.054 1.00 35.15 H new ATOM 0 HG12 ILE A 101 5.970 -10.043 7.555 1.00 64.40 H new ATOM 0 HG13 ILE A 101 7.160 -11.301 7.822 1.00 64.40 H new ATOM 0 HG21 ILE A 101 8.827 -10.939 9.805 1.00 73.30 H new ATOM 0 HG22 ILE A 101 9.110 -9.273 10.363 1.00 73.30 H new ATOM 0 HG23 ILE A 101 7.649 -10.148 10.879 1.00 73.30 H new ATOM 0 HD11 ILE A 101 5.027 -11.871 8.889 1.00 14.35 H new ATOM 0 HD12 ILE A 101 6.295 -11.651 10.118 1.00 14.35 H new ATOM 0 HD13 ILE A 101 5.086 -10.373 9.847 1.00 14.35 H new ATOM 1448 N SER A 102 8.547 -6.316 8.882 1.00 64.32 N ATOM 1449 CA SER A 102 9.438 -5.268 9.353 1.00 53.20 C ATOM 1450 C SER A 102 8.673 -4.074 9.978 1.00 40.12 C ATOM 1451 O SER A 102 9.319 -3.176 10.520 1.00 0.43 O ATOM 1452 CB SER A 102 10.366 -4.884 8.189 1.00 60.20 C ATOM 1453 OG SER A 102 11.497 -4.138 8.611 1.00 73.01 O ATOM 0 H SER A 102 8.516 -6.415 7.867 1.00 64.32 H new ATOM 0 HA SER A 102 10.050 -5.633 10.178 1.00 53.20 H new ATOM 0 HB2 SER A 102 10.702 -5.790 7.684 1.00 60.20 H new ATOM 0 HB3 SER A 102 9.804 -4.302 7.459 1.00 60.20 H new ATOM 0 HG SER A 102 11.242 -3.547 9.350 1.00 73.01 H new ATOM 1458 N GLU A 103 7.336 -4.015 9.915 1.00 73.45 N ATOM 1459 CA GLU A 103 6.496 -3.032 10.614 1.00 75.42 C ATOM 1460 C GLU A 103 5.999 -3.559 11.963 1.00 71.11 C ATOM 1461 O GLU A 103 5.616 -2.758 12.820 1.00 2.20 O ATOM 1462 CB GLU A 103 5.316 -2.660 9.695 1.00 71.14 C ATOM 1463 CG GLU A 103 4.166 -1.891 10.349 1.00 64.02 C ATOM 1464 CD GLU A 103 3.053 -1.533 9.367 1.00 73.23 C ATOM 1465 OE1 GLU A 103 2.353 -2.447 8.868 1.00 33.40 O ATOM 1466 OE2 GLU A 103 2.781 -0.329 9.165 1.00 64.25 O ATOM 0 H GLU A 103 6.791 -4.672 9.357 1.00 73.45 H new ATOM 0 HA GLU A 103 7.092 -2.146 10.833 1.00 75.42 H new ATOM 0 HB2 GLU A 103 5.701 -2.063 8.868 1.00 71.14 H new ATOM 0 HB3 GLU A 103 4.914 -3.578 9.265 1.00 71.14 H new ATOM 0 HG2 GLU A 103 3.750 -2.490 11.159 1.00 64.02 H new ATOM 0 HG3 GLU A 103 4.556 -0.977 10.797 1.00 64.02 H new ATOM 1471 N ILE A 104 5.934 -4.879 12.138 1.00 62.15 N ATOM 1472 CA ILE A 104 5.313 -5.486 13.308 1.00 32.04 C ATOM 1473 C ILE A 104 6.063 -5.018 14.547 1.00 74.13 C ATOM 1474 O ILE A 104 5.402 -4.328 15.358 1.00 14.52 O ATOM 1475 CB ILE A 104 5.227 -7.015 13.148 1.00 52.24 C ATOM 1476 CG1 ILE A 104 4.249 -7.332 11.993 1.00 75.32 C ATOM 1477 CG2 ILE A 104 4.758 -7.686 14.444 1.00 44.53 C ATOM 1478 CD1 ILE A 104 3.891 -8.808 11.809 1.00 52.22 C ATOM 0 H ILE A 104 6.311 -5.554 11.472 1.00 62.15 H new ATOM 0 HA ILE A 104 4.278 -5.163 13.419 1.00 32.04 H new ATOM 0 HB ILE A 104 6.218 -7.408 12.921 1.00 52.24 H new ATOM 0 HG12 ILE A 104 3.328 -6.772 12.158 1.00 75.32 H new ATOM 0 HG13 ILE A 104 4.683 -6.964 11.063 1.00 75.32 H new ATOM 0 HG21 ILE A 104 4.708 -8.765 14.298 1.00 44.53 H new ATOM 0 HG22 ILE A 104 5.462 -7.461 15.246 1.00 44.53 H new ATOM 0 HG23 ILE A 104 3.771 -7.310 14.712 1.00 44.53 H new ATOM 0 HD11 ILE A 104 3.200 -8.913 10.972 1.00 52.22 H new ATOM 0 HD12 ILE A 104 4.797 -9.379 11.606 1.00 52.22 H new ATOM 0 HD13 ILE A 104 3.421 -9.184 12.717 1.00 52.22 H new