USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 ASN : amide:sc= -1.15 X(o=-0.53,f=-0.2) USER MOD Set 1.3: A 89 GLN : amide:sc= 0.623 X(o=-0.53,f=-0.98) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -165:sc= 0.767 (180deg=0.601) USER MOD Set 2.2: A 25 ASN : amide:sc= 0.162 X(o=0.93,f=0.6) USER MOD Single : A 11 THR OG1 : rot -25:sc= 0.777 USER MOD Single : A 12 SER OG : rot 49:sc= 0.138 USER MOD Single : A 15 SER OG : rot -22:sc= 0.304 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-0.0031) USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.357 USER MOD Single : A 28 SER OG : rot -35:sc= 0.0734 USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= -4.13! (180deg=-4.42!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc= -0.755 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -0.141 (180deg=-0.645) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00768) USER MOD Single : A 47 ASN : amide:sc= 0.925 K(o=0.92,f=-0.0017) USER MOD Single : A 50 ASN : amide:sc= -0.25 K(o=-0.25,f=-7.8!) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= 0.0131 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -10.5! C(o=-10!,f=-9.1!) USER MOD Single : A 64 HIS : no HE2:sc= -1! C(o=-1!,f=-7.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= -1.09 (180deg=-2.58!) USER MOD Single : A 74 ASN : amide:sc= -0.135 K(o=-0.14,f=-1.1) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00617 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.95 K(o=-2,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -5.548 4.169 -7.186 1.00 0.43 N ATOM 242 CA THR A 11 -5.727 2.780 -6.833 1.00 0.36 C ATOM 243 C THR A 11 -5.333 1.824 -7.944 1.00 0.37 C ATOM 244 O THR A 11 -6.143 1.463 -8.797 1.00 0.44 O ATOM 245 CB THR A 11 -7.168 2.525 -6.420 1.00 0.44 C ATOM 246 OG1 THR A 11 -8.010 3.532 -6.999 1.00 0.60 O ATOM 247 CG2 THR A 11 -7.279 2.545 -4.912 1.00 0.54 C ATOM 0 HA THR A 11 -5.057 2.585 -5.996 1.00 0.36 H new ATOM 0 HB THR A 11 -7.487 1.546 -6.777 1.00 0.44 H new ATOM 0 HG1 THR A 11 -7.482 4.339 -7.173 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.313 2.362 -4.621 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.640 1.769 -4.490 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.963 3.519 -4.537 1.00 0.54 H new ATOM 255 N SER A 12 -4.074 1.439 -7.933 1.00 0.36 N ATOM 256 CA SER A 12 -3.597 0.366 -8.780 1.00 0.40 C ATOM 257 C SER A 12 -2.729 -0.584 -7.965 1.00 0.34 C ATOM 258 O SER A 12 -1.501 -0.507 -7.981 1.00 0.41 O ATOM 259 CB SER A 12 -2.839 0.924 -9.987 1.00 0.53 C ATOM 260 OG SER A 12 -1.860 1.874 -9.587 1.00 1.26 O ATOM 0 H SER A 12 -3.357 1.858 -7.341 1.00 0.36 H new ATOM 0 HA SER A 12 -4.450 -0.193 -9.164 1.00 0.40 H new ATOM 0 HB2 SER A 12 -2.358 0.108 -10.526 1.00 0.53 H new ATOM 0 HB3 SER A 12 -3.542 1.391 -10.677 1.00 0.53 H new ATOM 0 HG SER A 12 -1.320 1.500 -8.860 1.00 1.26 H new ATOM 266 N GLY A 13 -3.389 -1.460 -7.216 1.00 0.28 N ATOM 267 CA GLY A 13 -2.682 -2.406 -6.377 1.00 0.29 C ATOM 268 C GLY A 13 -2.079 -3.540 -7.175 1.00 0.27 C ATOM 269 O GLY A 13 -1.353 -4.373 -6.641 1.00 0.27 O ATOM 0 H GLY A 13 -4.406 -1.531 -7.176 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -1.893 -1.887 -5.833 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.368 -2.812 -5.633 1.00 0.29 H new ATOM 273 N GLU A 14 -2.369 -3.553 -8.462 1.00 0.28 N ATOM 274 CA GLU A 14 -1.908 -4.609 -9.350 1.00 0.26 C ATOM 275 C GLU A 14 -0.381 -4.647 -9.451 1.00 0.20 C ATOM 276 O GLU A 14 0.201 -5.672 -9.805 1.00 0.23 O ATOM 277 CB GLU A 14 -2.554 -4.455 -10.738 1.00 0.32 C ATOM 278 CG GLU A 14 -2.577 -3.027 -11.287 1.00 0.35 C ATOM 279 CD GLU A 14 -1.219 -2.519 -11.725 1.00 0.95 C ATOM 280 OE1 GLU A 14 -0.659 -3.066 -12.695 1.00 0.99 O ATOM 281 OE2 GLU A 14 -0.724 -1.553 -11.115 1.00 1.60 O ATOM 0 H GLU A 14 -2.929 -2.835 -8.923 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.219 -5.563 -8.924 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.019 -5.091 -11.443 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.578 -4.825 -10.688 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.261 -2.984 -12.134 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -2.975 -2.360 -10.522 1.00 0.35 H new ATOM 288 N SER A 15 0.258 -3.539 -9.119 1.00 0.21 N ATOM 289 CA SER A 15 1.706 -3.427 -9.198 1.00 0.22 C ATOM 290 C SER A 15 2.381 -3.991 -7.944 1.00 0.19 C ATOM 291 O SER A 15 3.591 -4.153 -7.926 1.00 0.22 O ATOM 292 CB SER A 15 2.094 -1.959 -9.417 1.00 0.31 C ATOM 293 OG SER A 15 3.499 -1.766 -9.445 1.00 0.74 O ATOM 0 H SER A 15 -0.209 -2.694 -8.788 1.00 0.21 H new ATOM 0 HA SER A 15 2.056 -4.019 -10.043 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.664 -1.609 -10.355 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.663 -1.350 -8.622 1.00 0.31 H new ATOM 0 HG SER A 15 3.940 -2.508 -8.981 1.00 0.74 H new ATOM 299 N LEU A 16 1.584 -4.309 -6.921 1.00 0.16 N ATOM 300 CA LEU A 16 2.089 -4.726 -5.599 1.00 0.14 C ATOM 301 C LEU A 16 3.320 -5.633 -5.662 1.00 0.14 C ATOM 302 O LEU A 16 4.371 -5.287 -5.125 1.00 0.16 O ATOM 303 CB LEU A 16 0.981 -5.434 -4.825 1.00 0.16 C ATOM 304 CG LEU A 16 0.370 -4.628 -3.683 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.287 -3.153 -4.040 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.005 -5.174 -3.350 1.00 0.18 C ATOM 0 H LEU A 16 0.566 -4.286 -6.981 1.00 0.16 H new ATOM 0 HA LEU A 16 2.401 -3.813 -5.092 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.188 -5.705 -5.522 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.380 -6.364 -4.420 1.00 0.16 H new ATOM 0 HG LEU A 16 1.013 -4.722 -2.808 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.152 -2.602 -3.209 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.288 -2.770 -4.241 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.334 -3.028 -4.927 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.438 -4.596 -2.534 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.648 -5.101 -4.227 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.919 -6.218 -3.049 1.00 0.18 H new ATOM 318 N TYR A 17 3.198 -6.775 -6.325 1.00 0.17 N ATOM 319 CA TYR A 17 4.294 -7.744 -6.384 1.00 0.20 C ATOM 320 C TYR A 17 5.520 -7.153 -7.088 1.00 0.24 C ATOM 321 O TYR A 17 6.655 -7.538 -6.812 1.00 0.34 O ATOM 322 CB TYR A 17 3.840 -9.024 -7.096 1.00 0.25 C ATOM 323 CG TYR A 17 3.560 -8.857 -8.575 1.00 0.63 C ATOM 324 CD1 TYR A 17 2.360 -8.319 -9.024 1.00 0.69 C ATOM 325 CD2 TYR A 17 4.500 -9.244 -9.524 1.00 1.22 C ATOM 326 CE1 TYR A 17 2.106 -8.170 -10.375 1.00 1.08 C ATOM 327 CE2 TYR A 17 4.253 -9.098 -10.874 1.00 1.66 C ATOM 328 CZ TYR A 17 3.055 -8.562 -11.295 1.00 1.53 C ATOM 329 OH TYR A 17 2.808 -8.416 -12.640 1.00 1.99 O ATOM 0 H TYR A 17 2.357 -7.056 -6.829 1.00 0.17 H new ATOM 0 HA TYR A 17 4.577 -7.990 -5.361 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.608 -9.787 -6.969 1.00 0.25 H new ATOM 0 HB3 TYR A 17 2.938 -9.395 -6.609 1.00 0.25 H new ATOM 0 HD1 TYR A 17 1.614 -8.012 -8.306 1.00 0.69 H new ATOM 0 HD2 TYR A 17 5.439 -9.666 -9.199 1.00 1.22 H new ATOM 0 HE1 TYR A 17 1.169 -7.749 -10.708 1.00 1.08 H new ATOM 0 HE2 TYR A 17 4.995 -9.402 -11.597 1.00 1.66 H new ATOM 0 HH TYR A 17 3.579 -8.740 -13.151 1.00 1.99 H new ATOM 339 N HIS A 18 5.274 -6.203 -7.981 1.00 0.22 N ATOM 340 CA HIS A 18 6.329 -5.554 -8.756 1.00 0.26 C ATOM 341 C HIS A 18 6.944 -4.423 -7.945 1.00 0.23 C ATOM 342 O HIS A 18 8.128 -4.116 -8.077 1.00 0.29 O ATOM 343 CB HIS A 18 5.733 -5.017 -10.072 1.00 0.31 C ATOM 344 CG HIS A 18 6.732 -4.479 -11.063 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.776 -4.890 -12.376 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.687 -3.527 -10.941 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.716 -4.219 -13.017 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.283 -3.383 -12.169 1.00 1.74 N ATOM 0 H HIS A 18 4.337 -5.859 -8.190 1.00 0.22 H new ATOM 0 HA HIS A 18 7.113 -6.275 -8.989 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.169 -5.819 -10.549 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.022 -4.226 -9.833 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.934 -2.981 -10.042 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.976 -4.335 -14.059 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.040 -2.736 -12.389 1.00 1.74 H new ATOM 357 N VAL A 19 6.122 -3.840 -7.090 1.00 0.17 N ATOM 358 CA VAL A 19 6.505 -2.707 -6.264 1.00 0.16 C ATOM 359 C VAL A 19 7.767 -2.999 -5.455 1.00 0.17 C ATOM 360 O VAL A 19 8.665 -2.159 -5.357 1.00 0.20 O ATOM 361 CB VAL A 19 5.338 -2.324 -5.318 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.788 -1.371 -4.236 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.198 -1.708 -6.105 1.00 0.19 C ATOM 0 H VAL A 19 5.159 -4.143 -6.948 1.00 0.17 H new ATOM 0 HA VAL A 19 6.725 -1.869 -6.926 1.00 0.16 H new ATOM 0 HB VAL A 19 4.992 -3.240 -4.839 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.943 -1.125 -3.593 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.572 -1.840 -3.642 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.174 -0.459 -4.692 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.387 -1.445 -5.426 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.550 -0.811 -6.614 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.836 -2.425 -6.842 1.00 0.19 H new ATOM 373 N LEU A 20 7.842 -4.198 -4.905 1.00 0.18 N ATOM 374 CA LEU A 20 8.954 -4.566 -4.035 1.00 0.24 C ATOM 375 C LEU A 20 9.711 -5.786 -4.550 1.00 0.27 C ATOM 376 O LEU A 20 10.899 -5.947 -4.271 1.00 0.33 O ATOM 377 CB LEU A 20 8.464 -4.807 -2.602 1.00 0.28 C ATOM 378 CG LEU A 20 6.967 -5.074 -2.437 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.565 -6.361 -3.133 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.605 -5.127 -0.961 1.00 0.28 C ATOM 0 H LEU A 20 7.150 -4.934 -5.043 1.00 0.18 H new ATOM 0 HA LEU A 20 9.650 -3.728 -4.036 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.011 -5.656 -2.191 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.725 -3.937 -1.999 1.00 0.28 H new ATOM 0 HG LEU A 20 6.418 -4.256 -2.903 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.496 -6.528 -3.001 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.791 -6.286 -4.197 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.118 -7.196 -2.703 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.537 -5.318 -0.855 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.166 -5.927 -0.477 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.852 -4.175 -0.491 1.00 0.28 H new ATOM 392 N GLY A 21 9.035 -6.636 -5.305 1.00 0.27 N ATOM 393 CA GLY A 21 9.658 -7.862 -5.761 1.00 0.32 C ATOM 394 C GLY A 21 9.374 -9.022 -4.826 1.00 0.34 C ATOM 395 O GLY A 21 10.273 -9.792 -4.479 1.00 0.65 O ATOM 0 H GLY A 21 8.071 -6.502 -5.610 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.295 -8.104 -6.760 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.735 -7.714 -5.840 1.00 0.32 H new ATOM 399 N LEU A 22 8.121 -9.133 -4.409 1.00 0.19 N ATOM 400 CA LEU A 22 7.683 -10.198 -3.519 1.00 0.16 C ATOM 401 C LEU A 22 6.170 -10.338 -3.653 1.00 0.17 C ATOM 402 O LEU A 22 5.497 -9.389 -4.052 1.00 0.19 O ATOM 403 CB LEU A 22 8.061 -9.867 -2.060 1.00 0.14 C ATOM 404 CG LEU A 22 8.423 -11.058 -1.146 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.657 -12.327 -1.948 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.665 -10.743 -0.329 1.00 0.18 C ATOM 0 H LEU A 22 7.379 -8.487 -4.678 1.00 0.19 H new ATOM 0 HA LEU A 22 8.172 -11.134 -3.789 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.908 -9.182 -2.076 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.227 -9.332 -1.606 1.00 0.14 H new ATOM 0 HG LEU A 22 7.577 -11.222 -0.478 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.909 -13.144 -1.272 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.752 -12.580 -2.501 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.477 -12.169 -2.648 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.906 -11.593 0.309 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.501 -10.545 -1.000 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.480 -9.865 0.290 1.00 0.18 H new ATOM 418 N ASP A 23 5.651 -11.519 -3.357 1.00 0.18 N ATOM 419 CA ASP A 23 4.208 -11.763 -3.340 1.00 0.21 C ATOM 420 C ASP A 23 3.916 -13.178 -2.896 1.00 0.23 C ATOM 421 O ASP A 23 4.204 -14.125 -3.618 1.00 0.26 O ATOM 422 CB ASP A 23 3.544 -11.524 -4.709 1.00 0.29 C ATOM 423 CG ASP A 23 4.038 -12.448 -5.811 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.149 -12.214 -6.338 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.329 -13.416 -6.147 1.00 1.13 O ATOM 0 H ASP A 23 6.213 -12.337 -3.121 1.00 0.18 H new ATOM 0 HA ASP A 23 3.787 -11.048 -2.634 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.466 -11.646 -4.604 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.720 -10.491 -5.010 1.00 0.29 H new ATOM 430 N LYS A 24 3.371 -13.301 -1.683 1.00 0.23 N ATOM 431 CA LYS A 24 2.846 -14.564 -1.121 1.00 0.28 C ATOM 432 C LYS A 24 3.777 -15.775 -1.274 1.00 0.28 C ATOM 433 O LYS A 24 3.387 -16.897 -0.962 1.00 0.34 O ATOM 434 CB LYS A 24 1.467 -14.876 -1.718 1.00 0.35 C ATOM 435 CG LYS A 24 1.464 -15.007 -3.231 1.00 0.37 C ATOM 436 CD LYS A 24 1.302 -16.446 -3.672 1.00 0.43 C ATOM 437 CE LYS A 24 2.505 -16.904 -4.469 1.00 0.50 C ATOM 438 NZ LYS A 24 2.657 -16.137 -5.737 1.00 1.42 N ATOM 0 H LYS A 24 3.277 -12.512 -1.044 1.00 0.23 H new ATOM 0 HA LYS A 24 2.768 -14.393 -0.047 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.095 -15.804 -1.283 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.771 -14.088 -1.430 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.654 -14.407 -3.646 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.395 -14.607 -3.632 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.174 -17.086 -2.799 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.400 -16.546 -4.276 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.405 -16.789 -3.865 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.407 -17.965 -4.696 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.320 -16.634 -6.366 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.732 -16.054 -6.205 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 3.025 -15.187 -5.526 1.00 1.42 H new ATOM 452 N ASN A 25 4.998 -15.554 -1.726 1.00 0.25 N ATOM 453 CA ASN A 25 5.977 -16.618 -1.791 1.00 0.28 C ATOM 454 C ASN A 25 6.790 -16.589 -0.521 1.00 0.25 C ATOM 455 O ASN A 25 7.196 -17.617 0.019 1.00 0.31 O ATOM 456 CB ASN A 25 6.922 -16.469 -2.990 1.00 0.31 C ATOM 457 CG ASN A 25 6.310 -16.914 -4.302 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.327 -18.096 -4.637 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.794 -15.970 -5.066 1.00 0.37 N ATOM 0 H ASN A 25 5.333 -14.648 -2.053 1.00 0.25 H new ATOM 0 HA ASN A 25 5.446 -17.563 -1.908 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.226 -15.426 -3.075 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.826 -17.050 -2.804 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.390 -16.211 -5.971 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.799 -15.000 -4.751 1.00 0.37 H new ATOM 466 N ALA A 26 7.014 -15.372 -0.059 1.00 0.20 N ATOM 467 CA ALA A 26 7.740 -15.123 1.161 1.00 0.19 C ATOM 468 C ALA A 26 6.827 -15.246 2.346 1.00 0.19 C ATOM 469 O ALA A 26 5.601 -15.200 2.224 1.00 0.24 O ATOM 470 CB ALA A 26 8.348 -13.741 1.132 1.00 0.18 C ATOM 0 H ALA A 26 6.692 -14.525 -0.528 1.00 0.20 H new ATOM 0 HA ALA A 26 8.535 -15.863 1.246 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.894 -13.564 2.059 1.00 0.18 H new ATOM 0 HB2 ALA A 26 9.032 -13.662 0.287 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.557 -12.998 1.029 1.00 0.18 H new ATOM 476 N THR A 27 7.442 -15.388 3.485 1.00 0.21 N ATOM 477 CA THR A 27 6.738 -15.481 4.730 1.00 0.24 C ATOM 478 C THR A 27 6.417 -14.084 5.217 1.00 0.21 C ATOM 479 O THR A 27 6.773 -13.101 4.563 1.00 0.21 O ATOM 480 CB THR A 27 7.619 -16.204 5.758 1.00 0.30 C ATOM 481 OG1 THR A 27 8.723 -15.364 6.120 1.00 0.33 O ATOM 482 CG2 THR A 27 8.161 -17.486 5.160 1.00 0.35 C ATOM 0 H THR A 27 8.456 -15.443 3.575 1.00 0.21 H new ATOM 0 HA THR A 27 5.813 -16.041 4.597 1.00 0.24 H new ATOM 0 HB THR A 27 7.018 -16.432 6.639 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.493 -15.921 6.358 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.786 -17.995 5.894 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.332 -18.135 4.877 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.756 -17.253 4.277 1.00 0.35 H new ATOM 490 N SER A 28 5.774 -13.982 6.366 1.00 0.26 N ATOM 491 CA SER A 28 5.517 -12.687 6.966 1.00 0.32 C ATOM 492 C SER A 28 6.836 -11.996 7.296 1.00 0.31 C ATOM 493 O SER A 28 6.869 -10.818 7.625 1.00 0.41 O ATOM 494 CB SER A 28 4.636 -12.831 8.212 1.00 0.40 C ATOM 495 OG SER A 28 4.139 -11.574 8.646 1.00 1.54 O ATOM 0 H SER A 28 5.422 -14.777 6.900 1.00 0.26 H new ATOM 0 HA SER A 28 4.975 -12.067 6.252 1.00 0.32 H new ATOM 0 HB2 SER A 28 3.802 -13.498 7.994 1.00 0.40 H new ATOM 0 HB3 SER A 28 5.211 -13.293 9.014 1.00 0.40 H new ATOM 0 HG SER A 28 4.814 -10.882 8.485 1.00 1.54 H new ATOM 501 N ASP A 29 7.918 -12.749 7.223 1.00 0.27 N ATOM 502 CA ASP A 29 9.245 -12.207 7.453 1.00 0.34 C ATOM 503 C ASP A 29 9.786 -11.510 6.202 1.00 0.32 C ATOM 504 O ASP A 29 10.098 -10.319 6.248 1.00 0.44 O ATOM 505 CB ASP A 29 10.210 -13.307 7.896 1.00 0.38 C ATOM 506 CG ASP A 29 11.591 -12.773 8.218 1.00 0.97 C ATOM 507 OD1 ASP A 29 11.819 -12.355 9.374 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.462 -12.780 7.323 1.00 1.68 O ATOM 0 H ASP A 29 7.903 -13.745 7.005 1.00 0.27 H new ATOM 0 HA ASP A 29 9.163 -11.467 8.249 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.805 -13.809 8.774 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.288 -14.056 7.108 1.00 0.38 H new ATOM 513 N ASP A 30 9.864 -12.222 5.069 1.00 0.22 N ATOM 514 CA ASP A 30 10.593 -11.688 3.915 1.00 0.21 C ATOM 515 C ASP A 30 9.773 -10.642 3.177 1.00 0.16 C ATOM 516 O ASP A 30 10.321 -9.646 2.704 1.00 0.17 O ATOM 517 CB ASP A 30 11.024 -12.799 2.959 1.00 0.23 C ATOM 518 CG ASP A 30 12.277 -12.435 2.191 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.362 -12.389 2.808 1.00 1.22 O ATOM 520 OD2 ASP A 30 12.188 -12.196 0.971 1.00 1.81 O ATOM 0 H ASP A 30 9.445 -13.141 4.930 1.00 0.22 H new ATOM 0 HA ASP A 30 11.492 -11.207 4.301 1.00 0.21 H new ATOM 0 HB2 ASP A 30 11.199 -13.715 3.523 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.216 -13.006 2.257 1.00 0.23 H new ATOM 525 N ILE A 31 8.465 -10.877 3.078 1.00 0.14 N ATOM 526 CA ILE A 31 7.538 -9.894 2.529 1.00 0.14 C ATOM 527 C ILE A 31 7.788 -8.502 3.124 1.00 0.14 C ATOM 528 O ILE A 31 7.813 -7.504 2.406 1.00 0.16 O ATOM 529 CB ILE A 31 6.068 -10.292 2.812 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.727 -11.657 2.203 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.112 -9.230 2.287 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.627 -11.664 0.697 1.00 0.42 C ATOM 0 H ILE A 31 8.023 -11.747 3.374 1.00 0.14 H new ATOM 0 HA ILE A 31 7.709 -9.867 1.453 1.00 0.14 H new ATOM 0 HB ILE A 31 5.953 -10.367 3.893 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.487 -12.376 2.507 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.779 -12.000 2.619 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.085 -9.529 2.496 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.320 -8.279 2.777 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.246 -9.120 1.211 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.383 -12.669 0.353 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.846 -10.973 0.381 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.580 -11.355 0.268 1.00 0.42 H new ATOM 544 N LYS A 32 7.989 -8.445 4.440 1.00 0.17 N ATOM 545 CA LYS A 32 8.180 -7.169 5.124 1.00 0.21 C ATOM 546 C LYS A 32 9.531 -6.567 4.781 1.00 0.20 C ATOM 547 O LYS A 32 9.641 -5.371 4.516 1.00 0.21 O ATOM 548 CB LYS A 32 8.078 -7.338 6.637 1.00 0.29 C ATOM 549 CG LYS A 32 6.830 -8.069 7.068 1.00 0.33 C ATOM 550 CD LYS A 32 5.582 -7.436 6.495 1.00 0.35 C ATOM 551 CE LYS A 32 4.456 -8.440 6.425 1.00 0.43 C ATOM 552 NZ LYS A 32 3.176 -7.802 6.040 1.00 0.88 N ATOM 0 H LYS A 32 8.024 -9.262 5.049 1.00 0.17 H new ATOM 0 HA LYS A 32 7.391 -6.498 4.785 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.952 -7.881 6.996 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.098 -6.355 7.109 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.889 -9.109 6.748 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.769 -8.073 8.156 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.282 -6.589 7.112 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.791 -7.047 5.499 1.00 0.35 H new ATOM 0 HE2 LYS A 32 4.706 -9.218 5.704 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.343 -8.928 7.393 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.475 -7.947 6.795 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 3.325 -6.783 5.897 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 2.827 -8.228 5.158 1.00 0.88 H new ATOM 566 N LYS A 33 10.555 -7.410 4.789 1.00 0.21 N ATOM 567 CA LYS A 33 11.917 -6.970 4.520 1.00 0.22 C ATOM 568 C LYS A 33 12.029 -6.424 3.111 1.00 0.19 C ATOM 569 O LYS A 33 12.737 -5.446 2.867 1.00 0.19 O ATOM 570 CB LYS A 33 12.887 -8.130 4.677 1.00 0.28 C ATOM 571 CG LYS A 33 12.819 -8.816 6.029 1.00 0.35 C ATOM 572 CD LYS A 33 12.952 -7.823 7.173 1.00 0.49 C ATOM 573 CE LYS A 33 13.010 -8.529 8.517 1.00 0.62 C ATOM 574 NZ LYS A 33 12.927 -7.571 9.650 1.00 1.41 N ATOM 0 H LYS A 33 10.467 -8.408 4.980 1.00 0.21 H new ATOM 0 HA LYS A 33 12.166 -6.185 5.235 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.686 -8.865 3.898 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.902 -7.765 4.517 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.873 -9.349 6.119 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.612 -9.560 6.099 1.00 0.35 H new ATOM 0 HD2 LYS A 33 13.853 -7.226 7.035 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.108 -7.134 7.159 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.191 -9.245 8.586 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.937 -9.097 8.589 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 12.970 -8.092 10.549 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.722 -6.903 9.599 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 12.030 -7.047 9.596 1.00 1.41 H new ATOM 588 N SER A 34 11.324 -7.073 2.193 1.00 0.18 N ATOM 589 CA SER A 34 11.286 -6.645 0.806 1.00 0.18 C ATOM 590 C SER A 34 10.855 -5.191 0.726 1.00 0.19 C ATOM 591 O SER A 34 11.387 -4.424 -0.069 1.00 0.30 O ATOM 592 CB SER A 34 10.325 -7.520 -0.001 1.00 0.21 C ATOM 593 OG SER A 34 10.426 -7.253 -1.389 1.00 0.26 O ATOM 0 H SER A 34 10.767 -7.905 2.390 1.00 0.18 H new ATOM 0 HA SER A 34 12.285 -6.747 0.383 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.543 -8.571 0.186 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.302 -7.343 0.332 1.00 0.21 H new ATOM 0 HG SER A 34 10.844 -8.017 -1.839 1.00 0.26 H new ATOM 599 N TYR A 35 9.925 -4.816 1.594 1.00 0.17 N ATOM 600 CA TYR A 35 9.416 -3.452 1.632 1.00 0.18 C ATOM 601 C TYR A 35 10.434 -2.533 2.278 1.00 0.18 C ATOM 602 O TYR A 35 10.724 -1.448 1.780 1.00 0.26 O ATOM 603 CB TYR A 35 8.097 -3.391 2.415 1.00 0.22 C ATOM 604 CG TYR A 35 7.857 -2.061 3.108 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.645 -0.899 2.380 1.00 0.33 C ATOM 606 CD2 TYR A 35 7.848 -1.970 4.495 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.433 0.312 3.009 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.633 -0.762 5.131 1.00 0.38 C ATOM 609 CZ TYR A 35 7.426 0.375 4.382 1.00 0.42 C ATOM 610 OH TYR A 35 7.216 1.583 5.010 1.00 0.51 O ATOM 0 H TYR A 35 9.506 -5.440 2.284 1.00 0.17 H new ATOM 0 HA TYR A 35 9.234 -3.125 0.608 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.271 -3.589 1.732 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.091 -4.185 3.161 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.646 -0.942 1.301 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.012 -2.859 5.086 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.273 1.206 2.424 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.627 -0.710 6.210 1.00 0.38 H new ATOM 0 HH TYR A 35 7.240 1.455 5.981 1.00 0.51 H new ATOM 620 N ARG A 36 10.970 -2.995 3.390 1.00 0.16 N ATOM 621 CA ARG A 36 11.843 -2.188 4.225 1.00 0.19 C ATOM 622 C ARG A 36 13.051 -1.706 3.456 1.00 0.21 C ATOM 623 O ARG A 36 13.344 -0.518 3.441 1.00 0.23 O ATOM 624 CB ARG A 36 12.288 -2.973 5.447 1.00 0.25 C ATOM 625 CG ARG A 36 11.141 -3.320 6.364 1.00 0.29 C ATOM 626 CD ARG A 36 11.639 -3.775 7.717 1.00 0.42 C ATOM 627 NE ARG A 36 10.545 -3.930 8.673 1.00 0.83 N ATOM 628 CZ ARG A 36 10.706 -4.310 9.940 1.00 1.30 C ATOM 629 NH1 ARG A 36 11.922 -4.569 10.406 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.651 -4.414 10.742 1.00 1.74 N ATOM 0 H ARG A 36 10.814 -3.940 3.742 1.00 0.16 H new ATOM 0 HA ARG A 36 11.274 -1.316 4.548 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.781 -3.890 5.125 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.026 -2.391 5.999 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.494 -2.451 6.485 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.537 -4.107 5.913 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.166 -4.723 7.610 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.358 -3.052 8.102 1.00 0.42 H new ATOM 0 HE ARG A 36 9.597 -3.735 8.350 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.733 -4.477 9.794 1.00 1.53 H new ATOM 0 HH12 ARG A 36 12.045 -4.860 11.376 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.718 -4.203 10.388 1.00 1.74 H new ATOM 0 HH22 ARG A 36 9.774 -4.705 11.712 1.00 1.74 H new ATOM 644 N LYS A 37 13.725 -2.625 2.788 1.00 0.35 N ATOM 645 CA LYS A 37 14.943 -2.294 2.055 1.00 0.45 C ATOM 646 C LYS A 37 14.683 -1.244 0.971 1.00 0.40 C ATOM 647 O LYS A 37 15.616 -0.612 0.479 1.00 0.43 O ATOM 648 CB LYS A 37 15.547 -3.554 1.433 1.00 0.67 C ATOM 649 CG LYS A 37 14.593 -4.277 0.492 1.00 0.78 C ATOM 650 CD LYS A 37 15.262 -5.451 -0.203 1.00 1.04 C ATOM 651 CE LYS A 37 15.661 -6.546 0.772 1.00 0.85 C ATOM 652 NZ LYS A 37 16.401 -7.638 0.088 1.00 1.37 N ATOM 0 H LYS A 37 13.453 -3.607 2.735 1.00 0.35 H new ATOM 0 HA LYS A 37 15.651 -1.870 2.767 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.450 -3.284 0.886 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.848 -4.236 2.229 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.729 -4.632 1.054 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.221 -3.577 -0.256 1.00 0.78 H new ATOM 0 HD2 LYS A 37 14.584 -5.862 -0.951 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.147 -5.100 -0.734 1.00 1.04 H new ATOM 0 HE2 LYS A 37 16.282 -6.123 1.562 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.770 -6.952 1.250 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 16.659 -8.369 0.781 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 15.799 -8.057 -0.649 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 17.264 -7.253 -0.347 1.00 1.37 H new ATOM 666 N LEU A 38 13.421 -1.074 0.595 1.00 0.45 N ATOM 667 CA LEU A 38 13.030 -0.010 -0.319 1.00 0.61 C ATOM 668 C LEU A 38 12.665 1.223 0.469 1.00 0.60 C ATOM 669 O LEU A 38 12.946 2.327 0.061 1.00 0.76 O ATOM 670 CB LEU A 38 11.790 -0.387 -1.097 1.00 1.00 C ATOM 671 CG LEU A 38 11.807 -1.718 -1.795 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.406 -2.270 -1.738 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.280 -1.559 -3.230 1.00 0.44 C ATOM 0 H LEU A 38 12.650 -1.662 0.911 1.00 0.45 H new ATOM 0 HA LEU A 38 13.870 0.162 -0.992 1.00 0.61 H new ATOM 0 HB2 LEU A 38 10.942 -0.373 -0.412 1.00 1.00 H new ATOM 0 HB3 LEU A 38 11.609 0.386 -1.844 1.00 1.00 H new ATOM 0 HG LEU A 38 12.500 -2.404 -1.308 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.376 -3.239 -2.236 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.103 -2.387 -0.697 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.724 -1.583 -2.239 1.00 0.57 H new ATOM 0 HD21 LEU A 38 12.286 -2.532 -3.721 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.606 -0.888 -3.763 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.287 -1.142 -3.237 1.00 0.44 H new ATOM 685 N ALA A 39 11.995 1.007 1.587 1.00 0.49 N ATOM 686 CA ALA A 39 11.420 2.083 2.376 1.00 0.59 C ATOM 687 C ALA A 39 12.447 3.131 2.752 1.00 0.57 C ATOM 688 O ALA A 39 12.298 4.299 2.395 1.00 0.72 O ATOM 689 CB ALA A 39 10.776 1.522 3.613 1.00 0.59 C ATOM 0 H ALA A 39 11.834 0.078 1.975 1.00 0.49 H new ATOM 0 HA ALA A 39 10.667 2.575 1.760 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.347 2.334 4.200 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.988 0.824 3.329 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.525 1.000 4.209 1.00 0.59 H new ATOM 695 N LEU A 40 13.503 2.733 3.453 1.00 0.44 N ATOM 696 CA LEU A 40 14.539 3.698 3.800 1.00 0.51 C ATOM 697 C LEU A 40 15.310 4.105 2.549 1.00 0.46 C ATOM 698 O LEU A 40 16.050 5.087 2.542 1.00 0.58 O ATOM 699 CB LEU A 40 15.499 3.198 4.915 1.00 0.56 C ATOM 700 CG LEU A 40 16.019 1.743 4.861 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.973 0.769 5.366 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.483 1.346 3.468 1.00 0.44 C ATOM 0 H LEU A 40 13.662 1.781 3.783 1.00 0.44 H new ATOM 0 HA LEU A 40 14.036 4.571 4.215 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.367 3.857 4.922 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.991 3.330 5.870 1.00 0.56 H new ATOM 0 HG LEU A 40 16.886 1.698 5.520 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.367 -0.246 5.316 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.720 1.010 6.399 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.079 0.842 4.747 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.839 0.316 3.483 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.651 1.433 2.769 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.292 2.005 3.152 1.00 0.44 H new ATOM 714 N LYS A 41 15.105 3.351 1.481 1.00 0.37 N ATOM 715 CA LYS A 41 15.831 3.565 0.248 1.00 0.40 C ATOM 716 C LYS A 41 15.047 4.480 -0.709 1.00 0.39 C ATOM 717 O LYS A 41 15.612 5.035 -1.651 1.00 0.48 O ATOM 718 CB LYS A 41 16.187 2.195 -0.331 1.00 0.51 C ATOM 719 CG LYS A 41 16.542 2.153 -1.797 1.00 0.62 C ATOM 720 CD LYS A 41 15.354 1.651 -2.572 1.00 0.65 C ATOM 721 CE LYS A 41 15.756 0.891 -3.822 1.00 0.72 C ATOM 722 NZ LYS A 41 16.566 -0.318 -3.517 1.00 1.41 N ATOM 0 H LYS A 41 14.436 2.581 1.448 1.00 0.37 H new ATOM 0 HA LYS A 41 16.763 4.102 0.425 1.00 0.40 H new ATOM 0 HB2 LYS A 41 17.028 1.794 0.235 1.00 0.51 H new ATOM 0 HB3 LYS A 41 15.343 1.525 -0.165 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.826 3.146 -2.145 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.400 1.501 -1.958 1.00 0.62 H new ATOM 0 HD2 LYS A 41 14.755 1.002 -1.933 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.723 2.495 -2.851 1.00 0.65 H new ATOM 0 HE2 LYS A 41 14.860 0.596 -4.368 1.00 0.72 H new ATOM 0 HE3 LYS A 41 16.326 1.550 -4.477 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 16.450 -1.015 -4.280 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 17.569 -0.054 -3.440 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 16.247 -0.732 -2.618 1.00 1.41 H new ATOM 736 N TYR A 42 13.748 4.652 -0.446 1.00 0.36 N ATOM 737 CA TYR A 42 12.907 5.535 -1.255 1.00 0.36 C ATOM 738 C TYR A 42 12.339 6.693 -0.441 1.00 0.40 C ATOM 739 O TYR A 42 11.775 7.623 -1.004 1.00 0.40 O ATOM 740 CB TYR A 42 11.752 4.757 -1.892 1.00 0.33 C ATOM 741 CG TYR A 42 12.133 4.005 -3.144 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.344 4.673 -4.339 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.287 2.624 -3.130 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.693 3.987 -5.485 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.635 1.934 -4.271 1.00 0.43 C ATOM 746 CZ TYR A 42 12.833 2.625 -5.450 1.00 0.45 C ATOM 747 OH TYR A 42 13.179 1.933 -6.587 1.00 0.52 O ATOM 0 H TYR A 42 13.258 4.191 0.321 1.00 0.36 H new ATOM 0 HA TYR A 42 13.549 5.945 -2.035 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.358 4.050 -1.162 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.947 5.452 -2.129 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.234 5.747 -4.375 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.131 2.082 -2.209 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.855 4.524 -6.408 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.752 0.861 -4.243 1.00 0.43 H new ATOM 0 HH TYR A 42 13.236 0.976 -6.383 1.00 0.52 H new ATOM 757 N HIS A 43 12.473 6.628 0.879 1.00 0.46 N ATOM 758 CA HIS A 43 11.966 7.684 1.753 1.00 0.53 C ATOM 759 C HIS A 43 12.600 9.022 1.371 1.00 0.56 C ATOM 760 O HIS A 43 13.806 9.190 1.524 1.00 0.62 O ATOM 761 CB HIS A 43 12.294 7.349 3.214 1.00 0.62 C ATOM 762 CG HIS A 43 11.266 7.811 4.207 1.00 0.71 C ATOM 763 ND1 HIS A 43 10.786 7.005 5.219 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.646 9.005 4.361 1.00 0.87 C ATOM 765 CE1 HIS A 43 9.920 7.683 5.947 1.00 1.12 C ATOM 766 NE2 HIS A 43 9.817 8.899 5.449 1.00 0.87 N ATOM 0 H HIS A 43 12.927 5.857 1.369 1.00 0.46 H new ATOM 0 HA HIS A 43 10.885 7.757 1.637 1.00 0.53 H new ATOM 0 HB2 HIS A 43 12.412 6.269 3.308 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.254 7.798 3.469 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.780 9.880 3.742 1.00 0.87 H new ATOM 0 HE1 HIS A 43 9.385 7.305 6.806 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.219 9.640 5.813 1.00 0.87 H new ATOM 775 N PRO A 44 11.807 9.983 0.862 1.00 0.54 N ATOM 776 CA PRO A 44 12.318 11.290 0.414 1.00 0.58 C ATOM 777 C PRO A 44 13.033 12.044 1.525 1.00 0.68 C ATOM 778 O PRO A 44 13.892 12.884 1.268 1.00 0.72 O ATOM 779 CB PRO A 44 11.064 12.053 -0.019 1.00 0.58 C ATOM 780 CG PRO A 44 9.925 11.310 0.592 1.00 0.57 C ATOM 781 CD PRO A 44 10.356 9.876 0.669 1.00 0.51 C ATOM 0 HA PRO A 44 13.055 11.177 -0.381 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.092 13.086 0.328 1.00 0.58 H new ATOM 0 HB3 PRO A 44 10.977 12.084 -1.105 1.00 0.58 H new ATOM 0 HG2 PRO A 44 9.692 11.700 1.583 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.023 11.414 -0.012 1.00 0.57 H new ATOM 0 HD2 PRO A 44 9.875 9.353 1.496 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.108 9.330 -0.241 1.00 0.51 H new ATOM 789 N ASP A 45 12.665 11.744 2.761 1.00 0.74 N ATOM 790 CA ASP A 45 13.360 12.281 3.924 1.00 0.85 C ATOM 791 C ASP A 45 14.837 11.888 3.890 1.00 0.89 C ATOM 792 O ASP A 45 15.709 12.665 4.277 1.00 0.96 O ATOM 793 CB ASP A 45 12.702 11.759 5.201 1.00 0.92 C ATOM 794 CG ASP A 45 13.368 12.269 6.462 1.00 1.06 C ATOM 795 OD1 ASP A 45 13.234 13.473 6.766 1.00 1.11 O ATOM 796 OD2 ASP A 45 14.046 11.473 7.144 1.00 1.16 O ATOM 0 H ASP A 45 11.884 11.128 2.987 1.00 0.74 H new ATOM 0 HA ASP A 45 13.294 13.369 3.907 1.00 0.85 H new ATOM 0 HB2 ASP A 45 11.652 12.052 5.208 1.00 0.92 H new ATOM 0 HB3 ASP A 45 12.729 10.669 5.198 1.00 0.92 H new ATOM 801 N LYS A 46 15.106 10.685 3.395 1.00 0.87 N ATOM 802 CA LYS A 46 16.470 10.171 3.309 1.00 0.94 C ATOM 803 C LYS A 46 17.047 10.429 1.925 1.00 0.90 C ATOM 804 O LYS A 46 18.264 10.401 1.725 1.00 0.99 O ATOM 805 CB LYS A 46 16.491 8.667 3.590 1.00 1.00 C ATOM 806 CG LYS A 46 15.684 8.259 4.807 1.00 1.04 C ATOM 807 CD LYS A 46 15.847 6.780 5.114 1.00 1.13 C ATOM 808 CE LYS A 46 17.294 6.408 5.404 1.00 1.57 C ATOM 809 NZ LYS A 46 17.768 6.968 6.696 1.00 2.08 N ATOM 0 H LYS A 46 14.394 10.044 3.045 1.00 0.87 H new ATOM 0 HA LYS A 46 17.075 10.687 4.055 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.107 8.139 2.717 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.524 8.347 3.727 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.000 8.847 5.668 1.00 1.04 H new ATOM 0 HG3 LYS A 46 14.631 8.482 4.638 1.00 1.04 H new ATOM 0 HD2 LYS A 46 15.228 6.519 5.972 1.00 1.13 H new ATOM 0 HD3 LYS A 46 15.485 6.194 4.269 1.00 1.13 H new ATOM 0 HE2 LYS A 46 17.392 5.323 5.422 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.930 6.772 4.597 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 18.741 6.648 6.877 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 17.748 8.007 6.652 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.148 6.642 7.464 1.00 2.08 H new ATOM 823 N ASN A 47 16.162 10.676 0.970 1.00 0.79 N ATOM 824 CA ASN A 47 16.557 10.889 -0.413 1.00 0.77 C ATOM 825 C ASN A 47 15.916 12.162 -0.942 1.00 0.74 C ATOM 826 O ASN A 47 14.942 12.116 -1.692 1.00 0.66 O ATOM 827 CB ASN A 47 16.147 9.704 -1.294 1.00 0.69 C ATOM 828 CG ASN A 47 16.590 8.366 -0.732 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.665 7.866 -1.060 1.00 0.83 O ATOM 830 ND2 ASN A 47 15.766 7.783 0.126 1.00 0.71 N ATOM 0 H ASN A 47 15.156 10.734 1.131 1.00 0.79 H new ATOM 0 HA ASN A 47 17.643 10.982 -0.445 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.063 9.702 -1.410 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.574 9.833 -2.289 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.014 6.885 0.542 1.00 0.71 H new ATOM 0 HD22 ASN A 47 14.884 8.232 0.371 1.00 0.71 H new ATOM 837 N PRO A 48 16.427 13.316 -0.504 1.00 0.82 N ATOM 838 CA PRO A 48 15.918 14.625 -0.915 1.00 0.84 C ATOM 839 C PRO A 48 16.062 14.868 -2.411 1.00 0.84 C ATOM 840 O PRO A 48 16.889 14.237 -3.078 1.00 0.86 O ATOM 841 CB PRO A 48 16.793 15.614 -0.143 1.00 0.93 C ATOM 842 CG PRO A 48 18.017 14.840 0.208 1.00 0.99 C ATOM 843 CD PRO A 48 17.539 13.440 0.444 1.00 0.92 C ATOM 0 HA PRO A 48 14.852 14.718 -0.708 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.036 16.486 -0.750 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.285 15.979 0.750 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.750 14.876 -0.598 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.499 15.247 1.097 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.321 12.707 0.249 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.212 13.292 1.473 1.00 0.92 H new ATOM 851 N ASP A 49 15.241 15.783 -2.919 1.00 0.85 N ATOM 852 CA ASP A 49 15.257 16.177 -4.330 1.00 0.89 C ATOM 853 C ASP A 49 14.755 15.037 -5.210 1.00 0.82 C ATOM 854 O ASP A 49 14.889 15.066 -6.432 1.00 0.88 O ATOM 855 CB ASP A 49 16.667 16.623 -4.754 1.00 0.98 C ATOM 856 CG ASP A 49 16.697 17.266 -6.127 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.927 18.220 -6.356 1.00 1.20 O ATOM 858 OD2 ASP A 49 17.504 16.836 -6.978 1.00 1.09 O ATOM 0 H ASP A 49 14.542 16.276 -2.363 1.00 0.85 H new ATOM 0 HA ASP A 49 14.584 17.025 -4.459 1.00 0.89 H new ATOM 0 HB2 ASP A 49 17.055 17.329 -4.020 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.332 15.760 -4.749 1.00 0.98 H new ATOM 863 N ASN A 50 14.150 14.042 -4.583 1.00 0.74 N ATOM 864 CA ASN A 50 13.608 12.913 -5.317 1.00 0.68 C ATOM 865 C ASN A 50 12.137 12.718 -4.971 1.00 0.64 C ATOM 866 O ASN A 50 11.795 12.002 -4.030 1.00 0.61 O ATOM 867 CB ASN A 50 14.391 11.630 -5.021 1.00 0.65 C ATOM 868 CG ASN A 50 14.157 10.566 -6.070 1.00 0.64 C ATOM 869 OD1 ASN A 50 13.127 10.550 -6.746 1.00 0.83 O ATOM 870 ND2 ASN A 50 15.097 9.650 -6.197 1.00 0.74 N ATOM 0 H ASN A 50 14.023 13.994 -3.572 1.00 0.74 H new ATOM 0 HA ASN A 50 13.701 13.129 -6.381 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.455 11.859 -4.969 1.00 0.65 H new ATOM 0 HB3 ASN A 50 14.100 11.245 -4.044 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.985 8.895 -6.873 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.936 9.697 -5.619 1.00 0.74 H new ATOM 877 N PRO A 51 11.247 13.377 -5.724 1.00 0.67 N ATOM 878 CA PRO A 51 9.803 13.271 -5.529 1.00 0.68 C ATOM 879 C PRO A 51 9.286 11.939 -6.046 1.00 0.66 C ATOM 880 O PRO A 51 8.271 11.415 -5.578 1.00 0.67 O ATOM 881 CB PRO A 51 9.229 14.426 -6.361 1.00 0.78 C ATOM 882 CG PRO A 51 10.408 15.210 -6.840 1.00 0.79 C ATOM 883 CD PRO A 51 11.577 14.277 -6.828 1.00 0.73 C ATOM 0 HA PRO A 51 9.519 13.324 -4.478 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.643 14.050 -7.200 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.564 15.047 -5.761 1.00 0.78 H new ATOM 0 HG2 PRO A 51 10.233 15.598 -7.843 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.591 16.068 -6.193 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.680 13.742 -7.772 1.00 0.73 H new ATOM 0 HD3 PRO A 51 12.516 14.804 -6.656 1.00 0.73 H new ATOM 891 N GLU A 52 10.003 11.404 -7.022 1.00 0.66 N ATOM 892 CA GLU A 52 9.700 10.097 -7.579 1.00 0.67 C ATOM 893 C GLU A 52 9.857 9.027 -6.507 1.00 0.57 C ATOM 894 O GLU A 52 9.037 8.116 -6.399 1.00 0.56 O ATOM 895 CB GLU A 52 10.629 9.802 -8.756 1.00 0.72 C ATOM 896 CG GLU A 52 10.669 10.919 -9.783 1.00 0.95 C ATOM 897 CD GLU A 52 11.639 10.639 -10.910 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.224 10.039 -11.925 1.00 1.53 O ATOM 899 OE2 GLU A 52 12.818 11.029 -10.792 1.00 1.66 O ATOM 0 H GLU A 52 10.808 11.862 -7.448 1.00 0.66 H new ATOM 0 HA GLU A 52 8.670 10.093 -7.934 1.00 0.67 H new ATOM 0 HB2 GLU A 52 11.637 9.627 -8.380 1.00 0.72 H new ATOM 0 HB3 GLU A 52 10.307 8.882 -9.243 1.00 0.72 H new ATOM 0 HG2 GLU A 52 9.671 11.064 -10.196 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.949 11.850 -9.291 1.00 0.95 H new ATOM 906 N ALA A 53 10.908 9.161 -5.707 1.00 0.53 N ATOM 907 CA ALA A 53 11.169 8.238 -4.609 1.00 0.46 C ATOM 908 C ALA A 53 10.017 8.236 -3.613 1.00 0.42 C ATOM 909 O ALA A 53 9.632 7.187 -3.106 1.00 0.37 O ATOM 910 CB ALA A 53 12.472 8.593 -3.912 1.00 0.47 C ATOM 0 H ALA A 53 11.598 9.906 -5.800 1.00 0.53 H new ATOM 0 HA ALA A 53 11.260 7.235 -5.026 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.650 7.893 -3.095 1.00 0.47 H new ATOM 0 HB2 ALA A 53 13.294 8.535 -4.626 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.408 9.606 -3.514 1.00 0.47 H new ATOM 916 N ALA A 54 9.466 9.417 -3.347 1.00 0.45 N ATOM 917 CA ALA A 54 8.304 9.550 -2.473 1.00 0.44 C ATOM 918 C ALA A 54 7.151 8.690 -2.965 1.00 0.43 C ATOM 919 O ALA A 54 6.471 8.025 -2.183 1.00 0.41 O ATOM 920 CB ALA A 54 7.858 10.996 -2.413 1.00 0.51 C ATOM 0 H ALA A 54 9.808 10.300 -3.726 1.00 0.45 H new ATOM 0 HA ALA A 54 8.594 9.214 -1.478 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.991 11.082 -1.758 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.669 11.611 -2.024 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.592 11.337 -3.414 1.00 0.51 H new ATOM 926 N ASP A 55 6.943 8.717 -4.271 1.00 0.46 N ATOM 927 CA ASP A 55 5.879 7.953 -4.904 1.00 0.47 C ATOM 928 C ASP A 55 6.141 6.463 -4.756 1.00 0.39 C ATOM 929 O ASP A 55 5.243 5.693 -4.414 1.00 0.36 O ATOM 930 CB ASP A 55 5.779 8.339 -6.378 1.00 0.57 C ATOM 931 CG ASP A 55 4.659 7.613 -7.101 1.00 0.63 C ATOM 932 OD1 ASP A 55 3.525 8.137 -7.126 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.909 6.517 -7.649 1.00 0.66 O ATOM 0 H ASP A 55 7.505 9.267 -4.921 1.00 0.46 H new ATOM 0 HA ASP A 55 4.932 8.182 -4.415 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.620 9.414 -6.457 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.726 8.120 -6.871 1.00 0.57 H new ATOM 938 N LYS A 56 7.383 6.063 -4.999 1.00 0.39 N ATOM 939 CA LYS A 56 7.798 4.683 -4.794 1.00 0.34 C ATOM 940 C LYS A 56 7.622 4.286 -3.334 1.00 0.28 C ATOM 941 O LYS A 56 7.130 3.204 -3.032 1.00 0.26 O ATOM 942 CB LYS A 56 9.258 4.508 -5.177 1.00 0.38 C ATOM 943 CG LYS A 56 9.648 5.141 -6.499 1.00 0.48 C ATOM 944 CD LYS A 56 9.434 4.213 -7.677 1.00 0.64 C ATOM 945 CE LYS A 56 7.964 4.067 -8.044 1.00 0.83 C ATOM 946 NZ LYS A 56 7.760 3.113 -9.166 1.00 0.98 N ATOM 0 H LYS A 56 8.122 6.678 -5.339 1.00 0.39 H new ATOM 0 HA LYS A 56 7.175 4.047 -5.423 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.879 4.933 -4.389 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.483 3.442 -5.220 1.00 0.38 H new ATOM 0 HG2 LYS A 56 9.066 6.050 -6.648 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.696 5.437 -6.460 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.984 4.592 -8.538 1.00 0.64 H new ATOM 0 HD3 LYS A 56 9.846 3.232 -7.442 1.00 0.64 H new ATOM 0 HE2 LYS A 56 7.405 3.726 -7.172 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.561 5.042 -8.319 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.862 2.606 -9.032 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.732 3.635 -10.065 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 8.543 2.429 -9.187 1.00 0.98 H new ATOM 960 N PHE A 57 8.014 5.177 -2.432 1.00 0.27 N ATOM 961 CA PHE A 57 7.912 4.919 -1.002 1.00 0.24 C ATOM 962 C PHE A 57 6.460 4.713 -0.608 1.00 0.24 C ATOM 963 O PHE A 57 6.151 4.017 0.351 1.00 0.26 O ATOM 964 CB PHE A 57 8.521 6.069 -0.190 1.00 0.27 C ATOM 965 CG PHE A 57 8.360 5.889 1.294 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.067 4.905 1.965 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.489 6.691 2.012 1.00 0.30 C ATOM 968 CE1 PHE A 57 8.908 4.723 3.325 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.327 6.514 3.373 1.00 0.34 C ATOM 970 CZ PHE A 57 8.036 5.529 4.029 1.00 0.37 C ATOM 0 H PHE A 57 8.407 6.088 -2.667 1.00 0.27 H new ATOM 0 HA PHE A 57 8.473 4.011 -0.781 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.582 6.153 -0.427 1.00 0.27 H new ATOM 0 HB3 PHE A 57 8.052 7.006 -0.490 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.751 4.272 1.418 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.931 7.463 1.503 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.465 3.952 3.836 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.646 7.146 3.923 1.00 0.34 H new ATOM 0 HZ PHE A 57 7.909 5.389 5.092 1.00 0.37 H new ATOM 980 N LYS A 58 5.580 5.299 -1.385 1.00 0.26 N ATOM 981 CA LYS A 58 4.162 5.250 -1.120 1.00 0.28 C ATOM 982 C LYS A 58 3.538 3.950 -1.641 1.00 0.26 C ATOM 983 O LYS A 58 2.634 3.400 -1.011 1.00 0.29 O ATOM 984 CB LYS A 58 3.528 6.505 -1.725 1.00 0.32 C ATOM 985 CG LYS A 58 2.132 6.324 -2.295 1.00 0.36 C ATOM 986 CD LYS A 58 1.491 7.666 -2.625 1.00 0.52 C ATOM 987 CE LYS A 58 2.364 8.498 -3.555 1.00 0.79 C ATOM 988 NZ LYS A 58 1.720 9.787 -3.923 1.00 1.41 N ATOM 0 H LYS A 58 5.829 5.825 -2.222 1.00 0.26 H new ATOM 0 HA LYS A 58 3.974 5.243 -0.046 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.490 7.278 -0.957 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.180 6.874 -2.517 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.181 5.711 -3.195 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.510 5.788 -1.578 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.520 7.500 -3.091 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.312 8.219 -1.703 1.00 0.52 H new ATOM 0 HE2 LYS A 58 3.321 8.696 -3.072 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.575 7.928 -4.460 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.349 10.321 -4.557 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 0.819 9.599 -4.407 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.541 10.344 -3.063 1.00 1.41 H new ATOM 1002 N GLU A 59 4.036 3.436 -2.764 1.00 0.25 N ATOM 1003 CA GLU A 59 3.555 2.152 -3.280 1.00 0.24 C ATOM 1004 C GLU A 59 4.147 0.994 -2.489 1.00 0.23 C ATOM 1005 O GLU A 59 3.472 -0.004 -2.236 1.00 0.25 O ATOM 1006 CB GLU A 59 3.870 1.982 -4.770 1.00 0.28 C ATOM 1007 CG GLU A 59 5.320 2.229 -5.140 1.00 0.32 C ATOM 1008 CD GLU A 59 5.617 1.885 -6.582 1.00 0.40 C ATOM 1009 OE1 GLU A 59 5.112 2.591 -7.478 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.362 0.913 -6.827 1.00 0.51 O ATOM 0 H GLU A 59 4.761 3.879 -3.328 1.00 0.25 H new ATOM 0 HA GLU A 59 2.471 2.146 -3.162 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.599 0.971 -5.072 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.241 2.665 -5.341 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.563 3.277 -4.962 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.963 1.637 -4.489 1.00 0.32 H new ATOM 1017 N ILE A 60 5.404 1.124 -2.091 1.00 0.23 N ATOM 1018 CA ILE A 60 6.045 0.091 -1.293 1.00 0.24 C ATOM 1019 C ILE A 60 5.438 0.085 0.096 1.00 0.24 C ATOM 1020 O ILE A 60 5.283 -0.964 0.718 1.00 0.27 O ATOM 1021 CB ILE A 60 7.572 0.290 -1.212 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.911 1.600 -0.506 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.158 0.273 -2.609 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.382 1.949 -0.515 1.00 0.28 C ATOM 0 H ILE A 60 5.995 1.927 -2.305 1.00 0.23 H new ATOM 0 HA ILE A 60 5.873 -0.871 -1.777 1.00 0.24 H new ATOM 0 HB ILE A 60 8.005 -0.525 -0.631 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.355 2.409 -0.980 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.570 1.541 0.528 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.237 0.414 -2.553 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.941 -0.684 -3.083 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.718 1.077 -3.198 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.535 2.894 0.007 1.00 0.28 H new ATOM 0 HD12 ILE A 60 9.946 1.162 -0.014 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.727 2.043 -1.545 1.00 0.28 H new ATOM 1036 N ASN A 61 5.053 1.276 0.544 1.00 0.24 N ATOM 1037 CA ASN A 61 4.371 1.453 1.813 1.00 0.28 C ATOM 1038 C ASN A 61 3.063 0.664 1.810 1.00 0.29 C ATOM 1039 O ASN A 61 2.536 0.297 2.856 1.00 0.36 O ATOM 1040 CB ASN A 61 4.086 2.944 2.037 1.00 0.36 C ATOM 1041 CG ASN A 61 3.396 3.241 3.351 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.051 3.443 4.376 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.072 3.284 3.326 1.00 0.60 N ATOM 0 H ASN A 61 5.207 2.145 0.033 1.00 0.24 H new ATOM 0 HA ASN A 61 5.004 1.085 2.620 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.026 3.494 1.998 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.466 3.313 1.220 1.00 0.36 H new ATOM 0 HD21 ASN A 61 1.552 3.491 4.179 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.572 3.110 2.454 1.00 0.60 H new ATOM 1050 N ASN A 62 2.565 0.412 0.607 1.00 0.25 N ATOM 1051 CA ASN A 62 1.308 -0.289 0.401 1.00 0.27 C ATOM 1052 C ASN A 62 1.519 -1.800 0.370 1.00 0.22 C ATOM 1053 O ASN A 62 0.954 -2.523 1.177 1.00 0.20 O ATOM 1054 CB ASN A 62 0.701 0.146 -0.926 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.745 -0.240 -1.058 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.635 0.549 -0.772 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.985 -1.464 -1.491 1.00 0.21 N ATOM 0 H ASN A 62 3.027 0.691 -0.259 1.00 0.25 H new ATOM 0 HA ASN A 62 0.642 -0.044 1.228 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.794 1.227 -1.026 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.268 -0.300 -1.743 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.946 -1.787 -1.599 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.209 -2.086 -1.717 1.00 0.21 H new ATOM 1064 N ALA A 63 2.349 -2.269 -0.566 1.00 0.20 N ATOM 1065 CA ALA A 63 2.509 -3.706 -0.824 1.00 0.18 C ATOM 1066 C ALA A 63 3.056 -4.467 0.391 1.00 0.14 C ATOM 1067 O ALA A 63 2.974 -5.695 0.450 1.00 0.14 O ATOM 1068 CB ALA A 63 3.423 -3.913 -2.019 1.00 0.19 C ATOM 0 H ALA A 63 2.924 -1.672 -1.161 1.00 0.20 H new ATOM 0 HA ALA A 63 1.519 -4.110 -1.035 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.539 -4.980 -2.207 1.00 0.19 H new ATOM 0 HB2 ALA A 63 2.988 -3.435 -2.897 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.398 -3.473 -1.812 1.00 0.19 H new ATOM 1074 N HIS A 64 3.594 -3.718 1.346 1.00 0.13 N ATOM 1075 CA HIS A 64 4.240 -4.259 2.545 1.00 0.11 C ATOM 1076 C HIS A 64 3.447 -5.403 3.207 1.00 0.13 C ATOM 1077 O HIS A 64 4.006 -6.463 3.504 1.00 0.20 O ATOM 1078 CB HIS A 64 4.471 -3.092 3.525 1.00 0.15 C ATOM 1079 CG HIS A 64 4.568 -3.462 4.976 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.583 -3.149 5.887 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.542 -4.086 5.680 1.00 1.02 C ATOM 1082 CE1 HIS A 64 3.944 -3.561 7.085 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.127 -4.133 6.988 1.00 0.96 N ATOM 0 H HIS A 64 3.596 -2.699 1.312 1.00 0.13 H new ATOM 0 HA HIS A 64 5.188 -4.711 2.254 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.389 -2.580 3.239 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.657 -2.377 3.406 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.709 -2.672 5.668 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.470 -4.474 5.287 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.368 -3.449 7.992 1.00 1.00 H new ATOM 1092 N ALA A 65 2.174 -5.186 3.480 1.00 0.14 N ATOM 1093 CA ALA A 65 1.363 -6.191 4.155 1.00 0.17 C ATOM 1094 C ALA A 65 0.640 -7.114 3.182 1.00 0.13 C ATOM 1095 O ALA A 65 0.588 -8.324 3.396 1.00 0.14 O ATOM 1096 CB ALA A 65 0.358 -5.525 5.082 1.00 0.25 C ATOM 0 H ALA A 65 1.677 -4.326 3.247 1.00 0.14 H new ATOM 0 HA ALA A 65 2.047 -6.808 4.737 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.240 -6.289 5.579 1.00 0.25 H new ATOM 0 HB2 ALA A 65 0.888 -4.936 5.830 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.295 -4.873 4.502 1.00 0.25 H new ATOM 1102 N ILE A 66 0.128 -6.535 2.104 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.866 -7.190 1.241 1.00 0.12 C ATOM 1104 C ILE A 66 -0.456 -8.590 0.802 1.00 0.13 C ATOM 1105 O ILE A 66 -1.268 -9.510 0.788 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.136 -6.391 -0.047 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.729 -4.919 0.083 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.603 -6.507 -0.407 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.502 -4.142 1.115 1.00 0.14 C ATOM 0 H ILE A 66 0.386 -5.597 1.797 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.758 -7.243 1.865 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.523 -6.815 -0.842 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.332 -4.870 0.330 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.854 -4.435 -0.885 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.800 -5.943 -1.319 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.857 -7.555 -0.567 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.210 -6.107 0.405 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.146 -3.112 1.137 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.562 -4.154 0.861 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.358 -4.596 2.095 1.00 0.14 H new ATOM 1121 N LEU A 67 0.803 -8.723 0.427 1.00 0.12 N ATOM 1122 CA LEU A 67 1.318 -9.933 -0.208 1.00 0.14 C ATOM 1123 C LEU A 67 1.055 -11.182 0.614 1.00 0.16 C ATOM 1124 O LEU A 67 0.677 -12.222 0.080 1.00 0.21 O ATOM 1125 CB LEU A 67 2.817 -9.783 -0.420 1.00 0.15 C ATOM 1126 CG LEU A 67 3.230 -8.437 -0.997 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.714 -8.416 -1.294 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.409 -8.135 -2.239 1.00 0.16 C ATOM 0 H LEU A 67 1.505 -7.994 0.553 1.00 0.12 H new ATOM 0 HA LEU A 67 0.797 -10.052 -1.158 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.325 -9.929 0.534 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.160 -10.573 -1.088 1.00 0.15 H new ATOM 0 HG LEU A 67 3.034 -7.657 -0.261 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.989 -7.445 -1.706 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.272 -8.591 -0.374 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.952 -9.197 -2.016 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.709 -7.170 -2.648 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.577 -8.913 -2.984 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.351 -8.105 -1.978 1.00 0.16 H new ATOM 1140 N THR A 68 1.261 -11.065 1.907 1.00 0.15 N ATOM 1141 CA THR A 68 1.184 -12.205 2.797 1.00 0.18 C ATOM 1142 C THR A 68 -0.039 -12.106 3.709 1.00 0.18 C ATOM 1143 O THR A 68 -0.516 -13.109 4.243 1.00 0.23 O ATOM 1144 CB THR A 68 2.480 -12.300 3.630 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.408 -13.369 4.579 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.752 -10.980 4.335 1.00 0.20 C ATOM 0 H THR A 68 1.485 -10.184 2.370 1.00 0.15 H new ATOM 0 HA THR A 68 1.078 -13.110 2.199 1.00 0.18 H new ATOM 0 HB THR A 68 3.305 -12.512 2.949 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.242 -13.408 5.092 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.669 -11.061 4.919 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.863 -10.188 3.594 1.00 0.20 H new ATOM 0 HG23 THR A 68 1.920 -10.743 4.998 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.562 -10.896 3.863 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.712 -10.670 4.728 1.00 0.19 C ATOM 1156 C ASP A 69 -3.011 -10.853 3.958 1.00 0.17 C ATOM 1157 O ASP A 69 -3.273 -10.141 2.987 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.671 -9.267 5.324 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.713 -9.079 6.402 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.890 -8.824 6.066 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.364 -9.188 7.586 1.00 0.58 O ATOM 0 H ASP A 69 -0.209 -10.058 3.401 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.669 -11.403 5.534 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.681 -9.079 5.740 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.830 -8.533 4.534 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.829 -11.795 4.408 1.00 0.19 N ATOM 1167 CA ALA A 70 -5.091 -12.106 3.743 1.00 0.21 C ATOM 1168 C ALA A 70 -6.079 -10.953 3.852 1.00 0.18 C ATOM 1169 O ALA A 70 -6.918 -10.766 2.972 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.703 -13.368 4.324 1.00 0.27 C ATOM 0 H ALA A 70 -3.641 -12.361 5.236 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.873 -12.267 2.687 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.643 -13.584 3.816 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -5.016 -14.203 4.186 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.890 -13.225 5.388 1.00 0.27 H new ATOM 1176 N THR A 71 -5.972 -10.179 4.921 1.00 0.17 N ATOM 1177 CA THR A 71 -6.869 -9.058 5.137 1.00 0.17 C ATOM 1178 C THR A 71 -6.600 -7.957 4.120 1.00 0.14 C ATOM 1179 O THR A 71 -7.500 -7.526 3.409 1.00 0.15 O ATOM 1180 CB THR A 71 -6.725 -8.476 6.555 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.929 -9.502 7.536 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.720 -7.348 6.770 1.00 0.21 C ATOM 0 H THR A 71 -5.272 -10.308 5.652 1.00 0.17 H new ATOM 0 HA THR A 71 -7.885 -9.434 5.018 1.00 0.17 H new ATOM 0 HB THR A 71 -5.716 -8.078 6.663 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.833 -9.120 8.433 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.605 -6.948 7.777 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.537 -6.557 6.042 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.734 -7.728 6.645 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.354 -7.516 4.041 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.978 -6.482 3.102 1.00 0.13 C ATOM 1192 C LYS A 72 -5.176 -6.976 1.679 1.00 0.12 C ATOM 1193 O LYS A 72 -5.583 -6.220 0.813 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.527 -6.030 3.328 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.329 -5.147 4.560 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.668 -5.880 5.846 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.609 -4.984 7.073 1.00 0.24 C ATOM 1198 NZ LYS A 72 -2.214 -4.678 7.489 1.00 0.71 N ATOM 0 H LYS A 72 -4.588 -7.862 4.619 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.621 -5.617 3.265 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.894 -6.912 3.422 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.187 -5.486 2.447 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.294 -4.806 4.599 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.954 -4.259 4.473 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.668 -6.307 5.762 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.976 -6.712 5.977 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -4.135 -4.052 6.864 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.133 -5.468 7.898 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.165 -3.703 7.847 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -1.923 -5.337 8.239 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -1.578 -4.779 6.672 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.920 -8.257 1.441 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.162 -8.834 0.123 1.00 0.15 C ATOM 1214 C ARG A 73 -6.660 -8.820 -0.177 1.00 0.16 C ATOM 1215 O ARG A 73 -7.078 -8.734 -1.333 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.629 -10.264 0.052 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.316 -10.730 -1.362 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.936 -10.275 -1.826 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.722 -10.574 -3.244 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.665 -11.231 -3.724 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.744 -11.716 -2.900 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.539 -11.426 -5.032 1.00 0.97 N ATOM 0 H ARG A 73 -4.550 -8.909 2.133 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.637 -8.235 -0.621 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.725 -10.336 0.657 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.363 -10.938 0.493 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.372 -11.818 -1.405 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.073 -10.345 -2.046 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.830 -9.203 -1.659 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.169 -10.768 -1.229 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.428 -10.259 -3.909 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -0.842 -11.587 -1.893 1.00 1.45 H new ATOM 0 HH12 ARG A 73 0.062 -12.217 -3.274 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -2.251 -11.073 -5.671 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.730 -11.929 -5.397 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.458 -8.884 0.883 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.910 -8.841 0.766 1.00 0.18 C ATOM 1238 C ASN A 74 -9.373 -7.443 0.417 1.00 0.17 C ATOM 1239 O ASN A 74 -10.321 -7.264 -0.347 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.559 -9.310 2.069 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.346 -10.593 1.907 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.929 -10.855 0.855 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.365 -11.400 2.952 1.00 0.43 N ATOM 0 H ASN A 74 -7.119 -8.967 1.841 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.214 -9.513 -0.036 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.785 -9.457 2.822 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.221 -8.528 2.441 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.877 -12.281 2.907 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.867 -11.143 3.804 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.699 -6.450 0.973 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.968 -5.075 0.607 1.00 0.13 C ATOM 1252 C ILE A 75 -8.407 -4.798 -0.778 1.00 0.14 C ATOM 1253 O ILE A 75 -9.050 -4.149 -1.576 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.400 -4.054 1.635 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.311 -3.960 2.867 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.242 -2.671 1.004 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.404 -5.230 3.677 1.00 0.20 C ATOM 0 H ILE A 75 -7.968 -6.571 1.674 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.050 -4.944 0.605 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.418 -4.410 1.946 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.948 -3.159 3.511 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.312 -3.678 2.542 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.843 -1.977 1.744 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.557 -2.733 0.159 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.213 -2.315 0.659 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -10.068 -5.072 4.527 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.799 -6.032 3.053 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.413 -5.505 4.037 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.229 -5.343 -1.058 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.568 -5.196 -2.357 1.00 0.18 C ATOM 1271 C TYR A 76 -7.520 -5.460 -3.523 1.00 0.19 C ATOM 1272 O TYR A 76 -7.527 -4.722 -4.511 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.369 -6.151 -2.420 1.00 0.21 C ATOM 1274 CG TYR A 76 -4.934 -6.530 -3.818 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.278 -5.626 -4.640 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.183 -7.803 -4.313 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.883 -5.981 -5.915 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -4.790 -8.165 -5.584 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.140 -7.250 -6.382 1.00 0.41 C ATOM 1280 OH TYR A 76 -3.743 -7.608 -7.650 1.00 0.52 O ATOM 0 H TYR A 76 -6.700 -5.903 -0.390 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.231 -4.164 -2.452 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.527 -5.689 -1.905 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.617 -7.060 -1.873 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.073 -4.629 -4.278 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -5.694 -8.523 -3.691 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.374 -5.265 -6.544 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -4.991 -9.160 -5.952 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.000 -8.538 -7.823 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.323 -6.509 -3.398 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.262 -6.884 -4.453 1.00 0.22 C ATOM 1292 C ASP A 77 -10.346 -5.823 -4.640 1.00 0.22 C ATOM 1293 O ASP A 77 -10.946 -5.710 -5.711 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.902 -8.237 -4.133 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.872 -8.696 -5.205 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.415 -9.229 -6.237 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.094 -8.506 -5.030 1.00 1.74 O ATOM 0 H ASP A 77 -8.345 -7.116 -2.579 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.703 -6.961 -5.386 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.119 -8.985 -4.014 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.426 -8.170 -3.180 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.568 -5.021 -3.610 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.629 -4.029 -3.624 1.00 0.21 C ATOM 1304 C LYS A 78 -11.037 -2.633 -3.764 1.00 0.20 C ATOM 1305 O LYS A 78 -11.294 -1.919 -4.732 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.418 -4.118 -2.318 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.033 -5.481 -2.059 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.554 -5.576 -0.637 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.233 -6.908 -0.371 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.789 -6.972 1.005 1.00 1.92 N ATOM 0 H LYS A 78 -10.022 -5.039 -2.748 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.289 -4.221 -4.470 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.757 -3.866 -1.489 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.211 -3.370 -2.333 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.847 -5.657 -2.762 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.289 -6.259 -2.231 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.728 -5.443 0.062 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.260 -4.766 -0.454 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -15.033 -7.060 -1.095 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -13.517 -7.717 -0.513 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.245 -7.895 1.152 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -14.021 -6.851 1.696 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -15.491 -6.215 1.131 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.222 -2.278 -2.790 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.570 -0.990 -2.729 1.00 0.19 C ATOM 1326 C TYR A 79 -8.078 -1.168 -2.968 1.00 0.21 C ATOM 1327 O TYR A 79 -7.407 -1.881 -2.226 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.822 -0.349 -1.362 1.00 0.23 C ATOM 1329 CG TYR A 79 -11.279 -0.376 -0.954 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -12.179 0.552 -1.463 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.750 -1.317 -0.049 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.507 0.540 -1.081 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -13.074 -1.334 0.339 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.961 -0.451 -0.230 1.00 0.72 C ATOM 1335 OH TYR A 79 -15.267 -0.413 0.211 1.00 0.88 O ATOM 0 H TYR A 79 -9.992 -2.889 -2.006 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.975 -0.335 -3.500 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.230 -0.869 -0.609 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.475 0.684 -1.382 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.835 1.294 -2.168 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -11.068 -2.049 0.359 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -14.185 1.298 -1.444 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -13.412 -2.037 1.086 1.00 0.65 H new ATOM 0 HH TYR A 79 -15.435 -1.177 0.801 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.573 -0.544 -4.021 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.158 -0.618 -4.325 1.00 0.25 C ATOM 1347 C GLY A 80 -5.310 0.162 -3.343 1.00 0.20 C ATOM 1348 O GLY A 80 -5.433 0.007 -2.131 1.00 0.22 O ATOM 0 H GLY A 80 -8.121 0.016 -4.674 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.844 -1.662 -4.322 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.986 -0.236 -5.331 1.00 0.25 H new ATOM 1352 N SER A 81 -4.477 1.026 -3.883 1.00 0.23 N ATOM 1353 CA SER A 81 -3.507 1.778 -3.106 1.00 0.25 C ATOM 1354 C SER A 81 -4.133 2.535 -1.923 1.00 0.23 C ATOM 1355 O SER A 81 -3.526 2.615 -0.874 1.00 0.25 O ATOM 1356 CB SER A 81 -2.784 2.740 -4.050 1.00 0.34 C ATOM 1357 OG SER A 81 -2.267 2.035 -5.169 1.00 0.41 O ATOM 0 H SER A 81 -4.452 1.230 -4.882 1.00 0.23 H new ATOM 0 HA SER A 81 -2.805 1.074 -2.660 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.472 3.516 -4.386 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.973 3.240 -3.520 1.00 0.34 H new ATOM 0 HG SER A 81 -1.808 2.661 -5.767 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.337 3.091 -2.074 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.933 3.858 -0.969 1.00 0.25 C ATOM 1365 C LEU A 82 -6.321 2.968 0.186 1.00 0.22 C ATOM 1366 O LEU A 82 -5.765 3.097 1.273 1.00 0.23 O ATOM 1367 CB LEU A 82 -7.163 4.665 -1.378 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.825 5.391 -0.196 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.865 6.390 0.407 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -9.103 6.095 -0.603 1.00 0.69 C ATOM 0 H LEU A 82 -5.905 3.031 -2.919 1.00 0.23 H new ATOM 0 HA LEU A 82 -5.149 4.553 -0.667 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.876 5.397 -2.132 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.890 3.999 -1.841 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.083 4.634 0.544 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.346 6.898 1.243 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.974 5.871 0.761 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.581 7.123 -0.348 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.536 6.594 0.264 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.882 6.833 -1.374 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.812 5.365 -0.993 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.299 2.098 -0.049 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.760 1.204 0.980 1.00 0.23 C ATOM 1384 C GLY A 83 -6.613 0.516 1.669 1.00 0.21 C ATOM 1385 O GLY A 83 -6.606 0.377 2.877 1.00 0.23 O ATOM 0 H GLY A 83 -7.779 2.002 -0.944 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.344 1.761 1.712 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.424 0.458 0.544 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.606 0.147 0.901 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.444 -0.519 1.457 1.00 0.20 C ATOM 1391 C LEU A 84 -3.528 0.454 2.198 1.00 0.21 C ATOM 1392 O LEU A 84 -3.039 0.137 3.269 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.687 -1.234 0.355 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.458 -2.365 -0.312 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.616 -3.013 -1.396 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.884 -3.385 0.727 1.00 0.30 C ATOM 0 H LEU A 84 -5.569 0.297 -0.107 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.792 -1.249 2.188 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.405 -0.506 -0.406 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.763 -1.637 0.769 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.353 -1.956 -0.781 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.182 -3.819 -1.863 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.357 -2.269 -2.149 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.704 -3.417 -0.956 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.435 -4.191 0.242 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -4.001 -3.794 1.219 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.522 -2.904 1.468 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.308 1.638 1.641 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.464 2.649 2.282 1.00 0.23 C ATOM 1410 C TYR A 85 -2.918 2.913 3.714 1.00 0.24 C ATOM 1411 O TYR A 85 -2.101 3.147 4.607 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.475 3.938 1.437 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.829 5.212 2.172 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -4.156 5.595 2.335 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.838 6.045 2.672 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.482 6.773 2.977 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -2.159 7.220 3.319 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.481 7.580 3.467 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.802 8.759 4.099 1.00 0.52 O ATOM 0 H TYR A 85 -3.701 1.926 0.745 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.440 2.278 2.337 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.489 4.063 0.989 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.183 3.806 0.619 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.943 4.961 1.954 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.801 5.769 2.553 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.517 7.059 3.094 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -1.377 7.856 3.708 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.981 9.210 4.386 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.220 2.873 3.927 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.773 3.044 5.259 1.00 0.25 C ATOM 1431 C VAL A 86 -4.931 1.697 5.992 1.00 0.24 C ATOM 1432 O VAL A 86 -4.559 1.573 7.163 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.114 3.823 5.203 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.979 3.351 4.048 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.878 3.708 6.509 1.00 0.32 C ATOM 0 H VAL A 86 -4.915 2.724 3.195 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.064 3.636 5.837 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.867 4.872 5.042 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.911 3.916 4.037 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.448 3.507 3.109 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.200 2.290 4.168 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.812 4.265 6.435 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.096 2.660 6.712 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.275 4.117 7.320 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.448 0.684 5.304 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.703 -0.616 5.926 1.00 0.24 C ATOM 1447 C ALA A 87 -4.421 -1.360 6.262 1.00 0.22 C ATOM 1448 O ALA A 87 -4.309 -1.966 7.323 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.561 -1.486 5.028 1.00 0.25 C ATOM 0 H ALA A 87 -5.699 0.735 4.317 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.232 -0.411 6.857 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.737 -2.447 5.512 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.515 -0.991 4.846 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.049 -1.646 4.079 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.457 -1.320 5.365 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.243 -2.090 5.532 1.00 0.21 C ATOM 1457 C GLU A 88 -1.390 -1.487 6.645 1.00 0.20 C ATOM 1458 O GLU A 88 -0.708 -2.205 7.374 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.481 -2.171 4.193 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.284 -1.236 4.071 1.00 0.25 C ATOM 1461 CD GLU A 88 0.986 -1.850 4.619 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.510 -2.775 3.987 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.456 -1.433 5.696 1.00 1.24 O ATOM 0 H GLU A 88 -3.491 -0.762 4.512 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.492 -3.109 5.828 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.138 -3.196 4.050 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.177 -1.952 3.383 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.135 -0.975 3.023 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.495 -0.309 4.603 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.474 -0.174 6.792 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.648 0.547 7.748 1.00 0.24 C ATOM 1472 C GLN A 89 -1.287 0.597 9.135 1.00 0.29 C ATOM 1473 O GLN A 89 -0.586 0.560 10.150 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.382 1.959 7.230 1.00 0.25 C ATOM 1475 CG GLN A 89 0.570 1.999 6.044 1.00 0.27 C ATOM 1476 CD GLN A 89 2.012 1.715 6.438 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.437 2.036 7.549 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.774 1.094 5.545 1.00 0.38 N ATOM 0 H GLN A 89 -2.110 0.417 6.258 1.00 0.22 H new ATOM 0 HA GLN A 89 0.295 0.011 7.851 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.329 2.417 6.942 1.00 0.25 H new ATOM 0 HB3 GLN A 89 0.031 2.563 8.038 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.250 1.268 5.302 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.513 2.979 5.571 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.390 0.842 4.634 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.743 0.869 5.770 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.613 0.682 9.189 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.306 0.782 10.471 1.00 0.34 C ATOM 1489 C PHE A 90 -4.447 -0.223 10.589 1.00 0.37 C ATOM 1490 O PHE A 90 -4.645 -0.819 11.648 1.00 0.43 O ATOM 1491 CB PHE A 90 -3.856 2.192 10.676 1.00 0.37 C ATOM 1492 CG PHE A 90 -2.802 3.254 10.798 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.137 3.455 11.997 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.476 4.053 9.714 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.168 4.433 12.111 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.508 5.032 9.821 1.00 0.53 C ATOM 1497 CZ PHE A 90 -0.853 5.222 11.022 1.00 0.62 C ATOM 0 H PHE A 90 -3.223 0.684 8.372 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.571 0.555 11.243 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.510 2.440 9.840 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.471 2.202 11.576 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.379 2.840 12.852 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -2.986 3.908 8.773 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -0.657 4.581 13.051 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.264 5.647 8.968 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.095 5.987 11.110 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.207 -0.407 9.519 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.301 -1.355 9.558 1.00 0.41 C ATOM 1509 C GLY A 91 -7.582 -0.785 8.995 1.00 0.43 C ATOM 1510 O GLY A 91 -8.116 0.200 9.510 1.00 0.51 O ATOM 0 H GLY A 91 -5.087 0.079 8.631 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.025 -2.246 8.994 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.469 -1.669 10.588 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.084 -1.427 7.953 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.286 -0.985 7.251 1.00 0.47 C ATOM 1516 C GLU A 92 -10.474 -0.886 8.202 1.00 0.54 C ATOM 1517 O GLU A 92 -11.380 -0.075 8.013 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.592 -1.980 6.132 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.631 -1.509 5.132 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.104 -0.454 4.181 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -9.210 0.318 4.579 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -10.608 -0.390 3.038 1.00 2.23 O ATOM 0 H GLU A 92 -7.670 -2.275 7.565 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.112 0.007 6.835 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.668 -2.201 5.598 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.934 -2.914 6.578 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -10.986 -2.364 4.556 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -11.490 -1.108 5.671 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.445 -1.703 9.237 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.531 -1.770 10.197 1.00 0.66 C ATOM 1531 C GLU A 93 -11.616 -0.519 11.073 1.00 0.68 C ATOM 1532 O GLU A 93 -12.708 -0.052 11.388 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.355 -3.008 11.074 1.00 0.70 C ATOM 1534 CG GLU A 93 -9.979 -3.092 11.716 1.00 0.68 C ATOM 1535 CD GLU A 93 -9.788 -4.344 12.540 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -10.370 -5.386 12.176 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -9.080 -4.289 13.567 1.00 1.33 O ATOM 0 H GLU A 93 -9.671 -2.337 9.436 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.464 -1.832 9.637 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.115 -3.003 11.856 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.523 -3.900 10.471 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.218 -3.057 10.937 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -9.826 -2.219 12.351 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.473 0.035 11.455 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.460 1.068 12.487 1.00 0.64 C ATOM 1546 C ASN A 94 -10.342 2.478 11.917 1.00 0.65 C ATOM 1547 O ASN A 94 -11.108 3.364 12.285 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.345 0.805 13.513 1.00 0.63 C ATOM 1549 CG ASN A 94 -7.950 0.838 12.914 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.309 1.882 12.859 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.459 -0.307 12.473 1.00 0.70 N ATOM 0 H ASN A 94 -9.558 -0.206 11.075 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.425 1.012 12.990 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.409 1.550 14.306 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -9.510 -0.168 13.976 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.521 -0.339 12.073 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.018 -1.158 12.533 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.392 2.694 11.028 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.129 4.034 10.525 1.00 0.58 C ATOM 1560 C VAL A 95 -9.943 4.351 9.279 1.00 0.62 C ATOM 1561 O VAL A 95 -10.408 5.475 9.111 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.635 4.252 10.237 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -6.908 4.707 11.493 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.016 2.974 9.704 1.00 0.49 C ATOM 0 H VAL A 95 -8.792 1.967 10.640 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.436 4.718 11.316 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.537 5.033 9.483 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -5.852 4.856 11.268 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.340 5.644 11.844 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.011 3.947 12.268 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -5.957 3.139 9.503 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.126 2.181 10.443 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.519 2.683 8.782 1.00 0.49 H new