USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 857 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 79 THR OG1 : rot 180:sc= 0.00407 USER MOD Set 1.2: A 80 SER OG : rot 180:sc= 0.0492 USER MOD Set 1.3: A 97 LYS NZ :NH3+ 147:sc= -0.217 (180deg=-1.23) USER MOD Set 2.1: A 68 THR OG1 : rot -91:sc= 1.18 USER MOD Set 2.2: A 69 ASN : amide:sc= -2.51 K(o=-1.3,f=-4.8!) USER MOD Single : A 12 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.21) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 27:sc= 0.17 USER MOD Single : A 24 THR OG1 : rot -89:sc= -0.23 USER MOD Single : A 26 SER OG : rot -97:sc= 0.104 USER MOD Single : A 27 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.3!) USER MOD Single : A 30 SER OG : rot -37:sc= 1.06 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc=-0.00759 X(o=-0.0076,f=-0.0076) USER MOD Single : A 39 SER OG : rot 140:sc= -1.01 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0.0381 (180deg=0.00203) USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= -1.58 (180deg=-3.86!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -5:sc= -7.34! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0509 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.302 K(o=-0.3,f=-0.83) USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.558 USER MOD Single : A 88 LYS NZ :NH3+ -129:sc= -0.0253 (180deg=-2.74) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0154 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 11.488 12.270 -10.279 1.00 24.34 N ATOM 169 CA HIS A 12 10.674 12.199 -9.071 1.00 1.15 C ATOM 170 C HIS A 12 11.369 12.897 -7.905 1.00 40.03 C ATOM 171 O HIS A 12 12.382 12.417 -7.396 1.00 13.24 O ATOM 172 CB HIS A 12 10.386 10.742 -8.709 1.00 31.22 C ATOM 173 CG HIS A 12 8.937 10.375 -8.808 1.00 1.35 C ATOM 174 ND1 HIS A 12 7.925 11.165 -8.304 1.00 21.13 N ATOM 175 CD2 HIS A 12 8.332 9.297 -9.358 1.00 23.32 C ATOM 176 CE1 HIS A 12 6.761 10.587 -8.538 1.00 75.13 C ATOM 177 NE2 HIS A 12 6.980 9.452 -9.177 1.00 71.13 N ATOM 0 HA HIS A 12 9.731 12.710 -9.268 1.00 1.15 H new ATOM 0 HB2 HIS A 12 10.963 10.092 -9.367 1.00 31.22 H new ATOM 0 HB3 HIS A 12 10.731 10.554 -7.692 1.00 31.22 H new ATOM 0 HD2 HIS A 12 8.822 8.469 -9.848 1.00 23.32 H new ATOM 0 HE1 HIS A 12 5.794 10.976 -8.255 1.00 75.13 H new ATOM 0 HE2 HIS A 12 6.261 8.797 -9.486 1.00 71.13 H new ATOM 185 N VAL A 13 10.819 14.033 -7.489 1.00 14.12 N ATOM 186 CA VAL A 13 11.385 14.797 -6.384 1.00 22.03 C ATOM 187 C VAL A 13 10.412 14.874 -5.213 1.00 31.02 C ATOM 188 O VAL A 13 9.201 14.992 -5.406 1.00 25.03 O ATOM 189 CB VAL A 13 11.758 16.226 -6.822 1.00 30.30 C ATOM 190 CG1 VAL A 13 12.838 16.191 -7.892 1.00 42.44 C ATOM 191 CG2 VAL A 13 10.527 16.968 -7.319 1.00 11.41 C ATOM 0 H VAL A 13 9.982 14.445 -7.901 1.00 14.12 H new ATOM 0 HA VAL A 13 12.288 14.274 -6.068 1.00 22.03 H new ATOM 0 HB VAL A 13 12.153 16.761 -5.959 1.00 30.30 H new ATOM 0 HG11 VAL A 13 13.089 17.209 -8.189 1.00 42.44 H new ATOM 0 HG12 VAL A 13 13.727 15.699 -7.496 1.00 42.44 H new ATOM 0 HG13 VAL A 13 12.474 15.639 -8.759 1.00 42.44 H new ATOM 0 HG21 VAL A 13 10.808 17.976 -7.624 1.00 11.41 H new ATOM 0 HG22 VAL A 13 10.101 16.437 -8.170 1.00 11.41 H new ATOM 0 HG23 VAL A 13 9.788 17.024 -6.519 1.00 11.41 H new ATOM 201 N ILE A 14 10.949 14.807 -3.999 1.00 74.12 N ATOM 202 CA ILE A 14 10.127 14.871 -2.797 1.00 23.33 C ATOM 203 C ILE A 14 10.659 15.916 -1.823 1.00 2.54 C ATOM 204 O ILE A 14 11.844 16.252 -1.840 1.00 33.23 O ATOM 205 CB ILE A 14 10.065 13.507 -2.084 1.00 61.34 C ATOM 206 CG1 ILE A 14 9.848 12.385 -3.102 1.00 64.21 C ATOM 207 CG2 ILE A 14 8.958 13.504 -1.041 1.00 73.01 C ATOM 208 CD1 ILE A 14 8.603 12.563 -3.941 1.00 74.34 C ATOM 0 H ILE A 14 11.949 14.709 -3.822 1.00 74.12 H new ATOM 0 HA ILE A 14 9.123 15.152 -3.116 1.00 23.33 H new ATOM 0 HB ILE A 14 11.015 13.335 -1.578 1.00 61.34 H new ATOM 0 HG12 ILE A 14 10.715 12.330 -3.760 1.00 64.21 H new ATOM 0 HG13 ILE A 14 9.788 11.433 -2.574 1.00 64.21 H new ATOM 0 HG21 ILE A 14 8.927 12.533 -0.546 1.00 73.01 H new ATOM 0 HG22 ILE A 14 9.152 14.282 -0.302 1.00 73.01 H new ATOM 0 HG23 ILE A 14 8.001 13.695 -1.526 1.00 73.01 H new ATOM 0 HD11 ILE A 14 8.513 11.731 -4.640 1.00 74.34 H new ATOM 0 HD12 ILE A 14 7.727 12.588 -3.292 1.00 74.34 H new ATOM 0 HD13 ILE A 14 8.669 13.498 -4.497 1.00 74.34 H new ATOM 220 N LYS A 15 9.776 16.428 -0.972 1.00 31.01 N ATOM 221 CA LYS A 15 10.155 17.434 0.013 1.00 23.21 C ATOM 222 C LYS A 15 9.064 17.604 1.065 1.00 51.20 C ATOM 223 O LYS A 15 8.667 18.724 1.386 1.00 41.44 O ATOM 224 CB LYS A 15 10.429 18.773 -0.675 1.00 1.23 C ATOM 225 CG LYS A 15 9.375 19.158 -1.699 1.00 23.42 C ATOM 226 CD LYS A 15 9.204 20.665 -1.784 1.00 23.00 C ATOM 227 CE LYS A 15 8.693 21.092 -3.152 1.00 22.54 C ATOM 228 NZ LYS A 15 9.072 22.496 -3.472 1.00 35.21 N ATOM 0 H LYS A 15 8.792 16.162 -0.945 1.00 31.01 H new ATOM 0 HA LYS A 15 11.064 17.095 0.510 1.00 23.21 H new ATOM 0 HB2 LYS A 15 10.491 19.555 0.082 1.00 1.23 H new ATOM 0 HB3 LYS A 15 11.401 18.727 -1.166 1.00 1.23 H new ATOM 0 HG2 LYS A 15 9.657 18.767 -2.677 1.00 23.42 H new ATOM 0 HG3 LYS A 15 8.423 18.697 -1.434 1.00 23.42 H new ATOM 0 HD2 LYS A 15 8.507 20.997 -1.014 1.00 23.00 H new ATOM 0 HD3 LYS A 15 10.158 21.152 -1.582 1.00 23.00 H new ATOM 0 HE2 LYS A 15 9.095 20.425 -3.914 1.00 22.54 H new ATOM 0 HE3 LYS A 15 7.608 20.993 -3.182 1.00 22.54 H new ATOM 0 HZ1 LYS A 15 8.705 22.749 -4.412 1.00 35.21 H new ATOM 0 HZ2 LYS A 15 8.667 23.136 -2.759 1.00 35.21 H new ATOM 0 HZ3 LYS A 15 10.108 22.585 -3.469 1.00 35.21 H new ATOM 242 N SER A 16 8.584 16.486 1.599 1.00 34.14 N ATOM 243 CA SER A 16 7.536 16.512 2.614 1.00 62.13 C ATOM 244 C SER A 16 7.663 15.319 3.556 1.00 72.30 C ATOM 245 O SER A 16 8.175 14.265 3.177 1.00 61.33 O ATOM 246 CB SER A 16 6.157 16.510 1.953 1.00 54.14 C ATOM 247 OG SER A 16 5.733 17.829 1.652 1.00 21.35 O ATOM 0 H SER A 16 8.903 15.551 1.346 1.00 34.14 H new ATOM 0 HA SER A 16 7.650 17.426 3.196 1.00 62.13 H new ATOM 0 HB2 SER A 16 6.190 15.918 1.039 1.00 54.14 H new ATOM 0 HB3 SER A 16 5.434 16.034 2.615 1.00 54.14 H new ATOM 0 HG SER A 16 6.517 18.403 1.521 1.00 21.35 H new ATOM 253 N LEU A 17 7.193 15.492 4.786 1.00 13.22 N ATOM 254 CA LEU A 17 7.252 14.431 5.785 1.00 63.51 C ATOM 255 C LEU A 17 6.347 13.266 5.397 1.00 54.24 C ATOM 256 O LEU A 17 6.792 12.122 5.314 1.00 43.33 O ATOM 257 CB LEU A 17 6.847 14.971 7.157 1.00 22.04 C ATOM 258 CG LEU A 17 7.599 14.391 8.356 1.00 44.32 C ATOM 259 CD1 LEU A 17 9.059 14.819 8.328 1.00 74.01 C ATOM 260 CD2 LEU A 17 6.940 14.822 9.658 1.00 24.31 C ATOM 0 H LEU A 17 6.766 16.358 5.116 1.00 13.22 H new ATOM 0 HA LEU A 17 8.279 14.069 5.833 1.00 63.51 H new ATOM 0 HB2 LEU A 17 6.986 16.052 7.155 1.00 22.04 H new ATOM 0 HB3 LEU A 17 5.782 14.787 7.298 1.00 22.04 H new ATOM 0 HG LEU A 17 7.559 13.303 8.294 1.00 44.32 H new ATOM 0 HD11 LEU A 17 9.578 14.397 9.188 1.00 74.01 H new ATOM 0 HD12 LEU A 17 9.526 14.460 7.411 1.00 74.01 H new ATOM 0 HD13 LEU A 17 9.120 15.907 8.365 1.00 74.01 H new ATOM 0 HD21 LEU A 17 7.488 14.400 10.500 1.00 24.31 H new ATOM 0 HD22 LEU A 17 6.949 15.910 9.728 1.00 24.31 H new ATOM 0 HD23 LEU A 17 5.910 14.465 9.680 1.00 24.31 H new ATOM 272 N GLU A 18 5.074 13.567 5.158 1.00 11.11 N ATOM 273 CA GLU A 18 4.106 12.545 4.777 1.00 64.10 C ATOM 274 C GLU A 18 4.578 11.783 3.542 1.00 50.14 C ATOM 275 O GLU A 18 4.559 10.553 3.514 1.00 12.12 O ATOM 276 CB GLU A 18 2.740 13.179 4.508 1.00 42.12 C ATOM 277 CG GLU A 18 1.623 12.165 4.329 1.00 31.02 C ATOM 278 CD GLU A 18 0.587 12.611 3.316 1.00 15.22 C ATOM 279 OE1 GLU A 18 0.954 12.806 2.139 1.00 44.43 O ATOM 280 OE2 GLU A 18 -0.591 12.765 3.700 1.00 15.54 O ATOM 0 H GLU A 18 4.690 14.510 5.221 1.00 11.11 H new ATOM 0 HA GLU A 18 4.014 11.841 5.604 1.00 64.10 H new ATOM 0 HB2 GLU A 18 2.488 13.843 5.335 1.00 42.12 H new ATOM 0 HB3 GLU A 18 2.806 13.797 3.612 1.00 42.12 H new ATOM 0 HG2 GLU A 18 2.049 11.213 4.012 1.00 31.02 H new ATOM 0 HG3 GLU A 18 1.136 11.993 5.289 1.00 31.02 H new ATOM 287 N GLU A 19 5.000 12.524 2.522 1.00 40.21 N ATOM 288 CA GLU A 19 5.475 11.919 1.283 1.00 30.54 C ATOM 289 C GLU A 19 6.635 10.964 1.554 1.00 15.22 C ATOM 290 O GLU A 19 6.769 9.931 0.897 1.00 25.24 O ATOM 291 CB GLU A 19 5.912 13.002 0.295 1.00 73.43 C ATOM 292 CG GLU A 19 5.910 12.540 -1.153 1.00 44.41 C ATOM 293 CD GLU A 19 4.526 12.162 -1.644 1.00 24.15 C ATOM 294 OE1 GLU A 19 4.424 11.227 -2.465 1.00 41.14 O ATOM 295 OE2 GLU A 19 3.546 12.800 -1.206 1.00 63.02 O ATOM 0 H GLU A 19 5.023 13.544 2.529 1.00 40.21 H new ATOM 0 HA GLU A 19 4.653 11.351 0.848 1.00 30.54 H new ATOM 0 HB2 GLU A 19 5.249 13.862 0.394 1.00 73.43 H new ATOM 0 HB3 GLU A 19 6.914 13.340 0.559 1.00 73.43 H new ATOM 0 HG2 GLU A 19 6.311 13.333 -1.784 1.00 44.41 H new ATOM 0 HG3 GLU A 19 6.575 11.683 -1.258 1.00 44.41 H new ATOM 302 N LEU A 20 7.469 11.318 2.525 1.00 65.20 N ATOM 303 CA LEU A 20 8.619 10.494 2.884 1.00 73.14 C ATOM 304 C LEU A 20 8.170 9.149 3.447 1.00 2.31 C ATOM 305 O LEU A 20 8.457 8.098 2.874 1.00 52.21 O ATOM 306 CB LEU A 20 9.494 11.222 3.905 1.00 31.34 C ATOM 307 CG LEU A 20 11.004 11.060 3.731 1.00 5.34 C ATOM 308 CD1 LEU A 20 11.508 11.938 2.596 1.00 72.00 C ATOM 309 CD2 LEU A 20 11.729 11.394 5.027 1.00 22.23 C ATOM 0 H LEU A 20 7.371 12.169 3.078 1.00 65.20 H new ATOM 0 HA LEU A 20 9.201 10.312 1.981 1.00 73.14 H new ATOM 0 HB2 LEU A 20 9.256 12.285 3.866 1.00 31.34 H new ATOM 0 HB3 LEU A 20 9.224 10.872 4.901 1.00 31.34 H new ATOM 0 HG LEU A 20 11.212 10.020 3.479 1.00 5.34 H new ATOM 0 HD11 LEU A 20 12.585 11.809 2.487 1.00 72.00 H new ATOM 0 HD12 LEU A 20 11.013 11.653 1.668 1.00 72.00 H new ATOM 0 HD13 LEU A 20 11.288 12.982 2.818 1.00 72.00 H new ATOM 0 HD21 LEU A 20 12.803 11.273 4.885 1.00 22.23 H new ATOM 0 HD22 LEU A 20 11.514 12.425 5.309 1.00 22.23 H new ATOM 0 HD23 LEU A 20 11.390 10.724 5.817 1.00 22.23 H new ATOM 321 N ARG A 21 7.464 9.191 4.572 1.00 54.11 N ATOM 322 CA ARG A 21 6.974 7.976 5.212 1.00 4.23 C ATOM 323 C ARG A 21 5.999 7.236 4.301 1.00 4.13 C ATOM 324 O ARG A 21 5.743 6.047 4.487 1.00 13.11 O ATOM 325 CB ARG A 21 6.293 8.313 6.540 1.00 70.10 C ATOM 326 CG ARG A 21 5.894 7.089 7.347 1.00 31.45 C ATOM 327 CD ARG A 21 5.634 7.442 8.804 1.00 41.15 C ATOM 328 NE ARG A 21 4.387 8.183 8.973 1.00 42.43 N ATOM 329 CZ ARG A 21 3.184 7.640 8.827 1.00 52.32 C ATOM 330 NH1 ARG A 21 3.065 6.358 8.511 1.00 43.10 N ATOM 331 NH2 ARG A 21 2.096 8.380 8.997 1.00 14.24 N ATOM 0 H ARG A 21 7.219 10.053 5.059 1.00 54.11 H new ATOM 0 HA ARG A 21 7.828 7.327 5.404 1.00 4.23 H new ATOM 0 HB2 ARG A 21 6.965 8.928 7.138 1.00 70.10 H new ATOM 0 HB3 ARG A 21 5.404 8.912 6.341 1.00 70.10 H new ATOM 0 HG2 ARG A 21 4.999 6.643 6.914 1.00 31.45 H new ATOM 0 HG3 ARG A 21 6.684 6.340 7.288 1.00 31.45 H new ATOM 0 HD2 ARG A 21 5.596 6.528 9.397 1.00 41.15 H new ATOM 0 HD3 ARG A 21 6.464 8.036 9.187 1.00 41.15 H new ATOM 0 HE ARG A 21 4.443 9.172 9.217 1.00 42.43 H new ATOM 0 HH11 ARG A 21 3.899 5.786 8.379 1.00 43.10 H new ATOM 0 HH12 ARG A 21 2.139 5.944 8.400 1.00 43.10 H new ATOM 0 HH21 ARG A 21 2.183 9.367 9.240 1.00 14.24 H new ATOM 0 HH22 ARG A 21 1.172 7.962 8.885 1.00 14.24 H new ATOM 345 N GLU A 22 5.460 7.949 3.317 1.00 33.33 N ATOM 346 CA GLU A 22 4.512 7.359 2.379 1.00 41.11 C ATOM 347 C GLU A 22 5.240 6.570 1.294 1.00 30.25 C ATOM 348 O GLU A 22 4.991 5.380 1.105 1.00 31.44 O ATOM 349 CB GLU A 22 3.649 8.448 1.739 1.00 14.44 C ATOM 350 CG GLU A 22 2.435 8.829 2.570 1.00 35.31 C ATOM 351 CD GLU A 22 1.248 7.919 2.319 1.00 33.10 C ATOM 352 OE1 GLU A 22 0.230 8.063 3.028 1.00 12.42 O ATOM 353 OE2 GLU A 22 1.337 7.063 1.414 1.00 35.24 O ATOM 0 H GLU A 22 5.663 8.934 3.149 1.00 33.33 H new ATOM 0 HA GLU A 22 3.870 6.675 2.934 1.00 41.11 H new ATOM 0 HB2 GLU A 22 4.260 9.336 1.576 1.00 14.44 H new ATOM 0 HB3 GLU A 22 3.315 8.107 0.759 1.00 14.44 H new ATOM 0 HG2 GLU A 22 2.698 8.794 3.627 1.00 35.31 H new ATOM 0 HG3 GLU A 22 2.154 9.858 2.345 1.00 35.31 H new ATOM 360 N ALA A 23 6.140 7.242 0.585 1.00 42.32 N ATOM 361 CA ALA A 23 6.905 6.605 -0.479 1.00 64.34 C ATOM 362 C ALA A 23 7.649 5.378 0.038 1.00 3.44 C ATOM 363 O ALA A 23 7.966 4.464 -0.723 1.00 24.31 O ATOM 364 CB ALA A 23 7.882 7.596 -1.094 1.00 50.32 C ATOM 0 H ALA A 23 6.357 8.228 0.728 1.00 42.32 H new ATOM 0 HA ALA A 23 6.206 6.277 -1.248 1.00 64.34 H new ATOM 0 HB1 ALA A 23 8.446 7.106 -1.887 1.00 50.32 H new ATOM 0 HB2 ALA A 23 7.331 8.440 -1.509 1.00 50.32 H new ATOM 0 HB3 ALA A 23 8.569 7.953 -0.327 1.00 50.32 H new ATOM 370 N THR A 24 7.926 5.365 1.339 1.00 45.14 N ATOM 371 CA THR A 24 8.635 4.252 1.958 1.00 51.22 C ATOM 372 C THR A 24 7.741 3.022 2.064 1.00 52.11 C ATOM 373 O THR A 24 8.227 1.894 2.140 1.00 3.34 O ATOM 374 CB THR A 24 9.146 4.624 3.362 1.00 25.44 C ATOM 375 OG1 THR A 24 8.351 5.681 3.910 1.00 41.13 O ATOM 376 CG2 THR A 24 10.605 5.054 3.311 1.00 32.40 C ATOM 0 H THR A 24 7.670 6.113 1.984 1.00 45.14 H new ATOM 0 HA THR A 24 9.487 4.024 1.318 1.00 51.22 H new ATOM 0 HB THR A 24 9.065 3.743 3.998 1.00 25.44 H new ATOM 0 HG1 THR A 24 8.728 6.546 3.643 1.00 41.13 H new ATOM 0 HG21 THR A 24 10.944 5.312 4.314 1.00 32.40 H new ATOM 0 HG22 THR A 24 11.212 4.236 2.922 1.00 32.40 H new ATOM 0 HG23 THR A 24 10.706 5.922 2.660 1.00 32.40 H new ATOM 384 N ALA A 25 6.431 3.247 2.067 1.00 30.12 N ATOM 385 CA ALA A 25 5.469 2.156 2.161 1.00 31.10 C ATOM 386 C ALA A 25 5.493 1.293 0.904 1.00 51.22 C ATOM 387 O ALA A 25 5.065 0.139 0.923 1.00 11.22 O ATOM 388 CB ALA A 25 4.070 2.705 2.400 1.00 22.23 C ATOM 0 H ALA A 25 6.012 4.175 2.005 1.00 30.12 H new ATOM 0 HA ALA A 25 5.750 1.528 3.006 1.00 31.10 H new ATOM 0 HB1 ALA A 25 3.362 1.879 2.468 1.00 22.23 H new ATOM 0 HB2 ALA A 25 4.056 3.273 3.330 1.00 22.23 H new ATOM 0 HB3 ALA A 25 3.789 3.357 1.573 1.00 22.23 H new ATOM 394 N SER A 26 5.995 1.861 -0.188 1.00 62.42 N ATOM 395 CA SER A 26 6.071 1.144 -1.456 1.00 55.31 C ATOM 396 C SER A 26 6.757 -0.206 -1.277 1.00 72.51 C ATOM 397 O SER A 26 7.588 -0.379 -0.387 1.00 31.43 O ATOM 398 CB SER A 26 6.824 1.979 -2.493 1.00 64.44 C ATOM 399 OG SER A 26 8.226 1.856 -2.325 1.00 42.23 O ATOM 0 H SER A 26 6.355 2.815 -0.220 1.00 62.42 H new ATOM 0 HA SER A 26 5.054 0.970 -1.809 1.00 55.31 H new ATOM 0 HB2 SER A 26 6.545 1.657 -3.496 1.00 64.44 H new ATOM 0 HB3 SER A 26 6.534 3.026 -2.402 1.00 64.44 H new ATOM 0 HG SER A 26 8.561 2.617 -1.807 1.00 42.23 H new ATOM 405 N ASN A 27 6.402 -1.161 -2.131 1.00 32.32 N ATOM 406 CA ASN A 27 6.982 -2.498 -2.067 1.00 44.35 C ATOM 407 C ASN A 27 8.161 -2.625 -3.028 1.00 1.32 C ATOM 408 O ASN A 27 8.366 -3.673 -3.639 1.00 65.32 O ATOM 409 CB ASN A 27 5.924 -3.552 -2.399 1.00 24.14 C ATOM 410 CG ASN A 27 5.589 -3.590 -3.877 1.00 71.21 C ATOM 411 OD1 ASN A 27 5.176 -2.586 -4.457 1.00 52.03 O ATOM 412 ND2 ASN A 27 5.765 -4.753 -4.494 1.00 3.11 N ATOM 0 H ASN A 27 5.716 -1.034 -2.875 1.00 32.32 H new ATOM 0 HA ASN A 27 7.343 -2.663 -1.052 1.00 44.35 H new ATOM 0 HB2 ASN A 27 6.281 -4.533 -2.085 1.00 24.14 H new ATOM 0 HB3 ASN A 27 5.018 -3.345 -1.829 1.00 24.14 H new ATOM 0 HD21 ASN A 27 5.556 -4.840 -5.489 1.00 3.11 H new ATOM 0 HD22 ASN A 27 6.110 -5.560 -3.973 1.00 3.11 H new ATOM 419 N ARG A 28 8.933 -1.550 -3.154 1.00 74.04 N ATOM 420 CA ARG A 28 10.090 -1.541 -4.040 1.00 44.23 C ATOM 421 C ARG A 28 11.338 -1.070 -3.299 1.00 43.43 C ATOM 422 O ARG A 28 11.312 -0.870 -2.084 1.00 42.25 O ATOM 423 CB ARG A 28 9.829 -0.637 -5.247 1.00 20.23 C ATOM 424 CG ARG A 28 8.601 -1.034 -6.050 1.00 41.30 C ATOM 425 CD ARG A 28 8.927 -2.114 -7.069 1.00 61.21 C ATOM 426 NE ARG A 28 8.810 -1.626 -8.441 1.00 32.44 N ATOM 427 CZ ARG A 28 9.180 -2.330 -9.505 1.00 53.20 C ATOM 428 NH1 ARG A 28 9.687 -3.546 -9.357 1.00 4.44 N ATOM 429 NH2 ARG A 28 9.042 -1.817 -10.721 1.00 74.42 N ATOM 0 H ARG A 28 8.778 -0.675 -2.654 1.00 74.04 H new ATOM 0 HA ARG A 28 10.257 -2.560 -4.388 1.00 44.23 H new ATOM 0 HB2 ARG A 28 9.711 0.390 -4.902 1.00 20.23 H new ATOM 0 HB3 ARG A 28 10.702 -0.656 -5.900 1.00 20.23 H new ATOM 0 HG2 ARG A 28 7.824 -1.392 -5.375 1.00 41.30 H new ATOM 0 HG3 ARG A 28 8.201 -0.159 -6.561 1.00 41.30 H new ATOM 0 HD2 ARG A 28 9.940 -2.479 -6.899 1.00 61.21 H new ATOM 0 HD3 ARG A 28 8.256 -2.961 -6.927 1.00 61.21 H new ATOM 0 HE ARG A 28 8.423 -0.694 -8.590 1.00 32.44 H new ATOM 0 HH11 ARG A 28 9.794 -3.944 -8.424 1.00 4.44 H new ATOM 0 HH12 ARG A 28 9.970 -4.084 -10.176 1.00 4.44 H new ATOM 0 HH21 ARG A 28 8.652 -0.882 -10.839 1.00 74.42 H new ATOM 0 HH22 ARG A 28 9.326 -2.358 -11.538 1.00 74.42 H new ATOM 443 N ILE A 29 12.428 -0.895 -4.039 1.00 4.15 N ATOM 444 CA ILE A 29 13.685 -0.447 -3.451 1.00 41.05 C ATOM 445 C ILE A 29 14.062 0.942 -3.954 1.00 44.42 C ATOM 446 O ILE A 29 14.409 1.118 -5.122 1.00 51.23 O ATOM 447 CB ILE A 29 14.833 -1.424 -3.766 1.00 44.24 C ATOM 448 CG1 ILE A 29 14.436 -2.852 -3.386 1.00 3.45 C ATOM 449 CG2 ILE A 29 16.100 -1.007 -3.033 1.00 54.13 C ATOM 450 CD1 ILE A 29 13.744 -3.604 -4.500 1.00 62.04 C ATOM 0 H ILE A 29 12.466 -1.056 -5.045 1.00 4.15 H new ATOM 0 HA ILE A 29 13.535 -0.412 -2.372 1.00 41.05 H new ATOM 0 HB ILE A 29 15.031 -1.395 -4.838 1.00 44.24 H new ATOM 0 HG12 ILE A 29 15.329 -3.401 -3.088 1.00 3.45 H new ATOM 0 HG13 ILE A 29 13.778 -2.818 -2.518 1.00 3.45 H new ATOM 0 HG21 ILE A 29 16.902 -1.707 -3.266 1.00 54.13 H new ATOM 0 HG22 ILE A 29 16.390 -0.005 -3.349 1.00 54.13 H new ATOM 0 HG23 ILE A 29 15.916 -1.010 -1.959 1.00 54.13 H new ATOM 0 HD11 ILE A 29 13.492 -4.608 -4.159 1.00 62.04 H new ATOM 0 HD12 ILE A 29 12.833 -3.077 -4.783 1.00 62.04 H new ATOM 0 HD13 ILE A 29 14.408 -3.669 -5.362 1.00 62.04 H new ATOM 462 N SER A 30 13.994 1.927 -3.064 1.00 22.34 N ATOM 463 CA SER A 30 14.327 3.302 -3.417 1.00 72.21 C ATOM 464 C SER A 30 15.597 3.754 -2.703 1.00 41.14 C ATOM 465 O SER A 30 15.935 3.249 -1.633 1.00 11.24 O ATOM 466 CB SER A 30 13.169 4.236 -3.062 1.00 54.32 C ATOM 467 OG SER A 30 11.944 3.754 -3.588 1.00 24.41 O ATOM 0 H SER A 30 13.711 1.798 -2.093 1.00 22.34 H new ATOM 0 HA SER A 30 14.502 3.343 -4.492 1.00 72.21 H new ATOM 0 HB2 SER A 30 13.092 4.329 -1.979 1.00 54.32 H new ATOM 0 HB3 SER A 30 13.369 5.233 -3.454 1.00 54.32 H new ATOM 0 HG SER A 30 12.102 3.351 -4.467 1.00 24.41 H new ATOM 473 N VAL A 31 16.298 4.710 -3.305 1.00 61.12 N ATOM 474 CA VAL A 31 17.531 5.232 -2.728 1.00 51.41 C ATOM 475 C VAL A 31 17.294 6.579 -2.053 1.00 64.14 C ATOM 476 O VAL A 31 17.281 7.620 -2.711 1.00 30.01 O ATOM 477 CB VAL A 31 18.628 5.392 -3.798 1.00 14.13 C ATOM 478 CG1 VAL A 31 19.955 5.758 -3.151 1.00 70.22 C ATOM 479 CG2 VAL A 31 18.759 4.119 -4.620 1.00 54.11 C ATOM 0 H VAL A 31 16.033 5.138 -4.192 1.00 61.12 H new ATOM 0 HA VAL A 31 17.863 4.509 -1.983 1.00 51.41 H new ATOM 0 HB VAL A 31 18.343 6.202 -4.469 1.00 14.13 H new ATOM 0 HG11 VAL A 31 20.718 5.867 -3.922 1.00 70.22 H new ATOM 0 HG12 VAL A 31 19.849 6.698 -2.610 1.00 70.22 H new ATOM 0 HG13 VAL A 31 20.250 4.971 -2.457 1.00 70.22 H new ATOM 0 HG21 VAL A 31 19.538 4.249 -5.371 1.00 54.11 H new ATOM 0 HG22 VAL A 31 19.022 3.288 -3.965 1.00 54.11 H new ATOM 0 HG23 VAL A 31 17.811 3.906 -5.114 1.00 54.11 H new ATOM 489 N ILE A 32 17.109 6.551 -0.738 1.00 73.21 N ATOM 490 CA ILE A 32 16.874 7.770 0.026 1.00 23.30 C ATOM 491 C ILE A 32 18.167 8.556 0.216 1.00 12.24 C ATOM 492 O ILE A 32 19.037 8.162 0.993 1.00 44.35 O ATOM 493 CB ILE A 32 16.267 7.460 1.407 1.00 53.40 C ATOM 494 CG1 ILE A 32 15.026 6.578 1.256 1.00 14.23 C ATOM 495 CG2 ILE A 32 15.921 8.751 2.135 1.00 73.05 C ATOM 496 CD1 ILE A 32 15.135 5.253 1.978 1.00 51.31 C ATOM 0 H ILE A 32 17.117 5.698 -0.179 1.00 73.21 H new ATOM 0 HA ILE A 32 16.167 8.371 -0.546 1.00 23.30 H new ATOM 0 HB ILE A 32 17.005 6.918 1.999 1.00 53.40 H new ATOM 0 HG12 ILE A 32 14.158 7.118 1.634 1.00 14.23 H new ATOM 0 HG13 ILE A 32 14.849 6.392 0.197 1.00 14.23 H new ATOM 0 HG21 ILE A 32 15.493 8.516 3.109 1.00 73.05 H new ATOM 0 HG22 ILE A 32 16.824 9.346 2.270 1.00 73.05 H new ATOM 0 HG23 ILE A 32 15.198 9.317 1.548 1.00 73.05 H new ATOM 0 HD11 ILE A 32 14.220 4.680 1.827 1.00 51.31 H new ATOM 0 HD12 ILE A 32 15.983 4.693 1.584 1.00 51.31 H new ATOM 0 HD13 ILE A 32 15.281 5.430 3.044 1.00 51.31 H new ATOM 508 N VAL A 33 18.284 9.672 -0.496 1.00 44.22 N ATOM 509 CA VAL A 33 19.469 10.517 -0.404 1.00 23.21 C ATOM 510 C VAL A 33 19.100 11.939 0.001 1.00 11.33 C ATOM 511 O VAL A 33 18.222 12.559 -0.599 1.00 43.55 O ATOM 512 CB VAL A 33 20.235 10.558 -1.740 1.00 32.32 C ATOM 513 CG1 VAL A 33 21.586 11.233 -1.561 1.00 30.02 C ATOM 514 CG2 VAL A 33 20.401 9.154 -2.301 1.00 65.31 C ATOM 0 H VAL A 33 17.573 10.012 -1.143 1.00 44.22 H new ATOM 0 HA VAL A 33 20.111 10.079 0.361 1.00 23.21 H new ATOM 0 HB VAL A 33 19.656 11.144 -2.454 1.00 32.32 H new ATOM 0 HG11 VAL A 33 22.112 11.252 -2.515 1.00 30.02 H new ATOM 0 HG12 VAL A 33 21.439 12.253 -1.207 1.00 30.02 H new ATOM 0 HG13 VAL A 33 22.177 10.678 -0.832 1.00 30.02 H new ATOM 0 HG21 VAL A 33 20.944 9.201 -3.245 1.00 65.31 H new ATOM 0 HG22 VAL A 33 20.959 8.542 -1.592 1.00 65.31 H new ATOM 0 HG23 VAL A 33 19.419 8.711 -2.469 1.00 65.31 H new ATOM 524 N PHE A 34 19.776 12.452 1.024 1.00 20.43 N ATOM 525 CA PHE A 34 19.519 13.802 1.511 1.00 11.01 C ATOM 526 C PHE A 34 20.692 14.726 1.197 1.00 20.11 C ATOM 527 O PHE A 34 21.844 14.410 1.497 1.00 41.32 O ATOM 528 CB PHE A 34 19.260 13.783 3.019 1.00 73.31 C ATOM 529 CG PHE A 34 19.644 12.488 3.677 1.00 43.33 C ATOM 530 CD1 PHE A 34 20.865 12.358 4.318 1.00 25.20 C ATOM 531 CD2 PHE A 34 18.785 11.402 3.653 1.00 34.12 C ATOM 532 CE1 PHE A 34 21.222 11.168 4.925 1.00 43.23 C ATOM 533 CE2 PHE A 34 19.136 10.210 4.258 1.00 12.05 C ATOM 534 CZ PHE A 34 20.357 10.093 4.894 1.00 74.41 C ATOM 0 H PHE A 34 20.506 11.953 1.532 1.00 20.43 H new ATOM 0 HA PHE A 34 18.633 14.182 1.002 1.00 11.01 H new ATOM 0 HB2 PHE A 34 19.815 14.597 3.485 1.00 73.31 H new ATOM 0 HB3 PHE A 34 18.202 13.974 3.200 1.00 73.31 H new ATOM 0 HD1 PHE A 34 21.546 13.196 4.344 1.00 25.20 H new ATOM 0 HD2 PHE A 34 17.830 11.488 3.156 1.00 34.12 H new ATOM 0 HE1 PHE A 34 22.176 11.080 5.423 1.00 43.23 H new ATOM 0 HE2 PHE A 34 18.457 9.371 4.234 1.00 12.05 H new ATOM 0 HZ PHE A 34 20.634 9.162 5.366 1.00 74.41 H new ATOM 544 N THR A 35 20.391 15.870 0.590 1.00 32.23 N ATOM 545 CA THR A 35 21.419 16.839 0.233 1.00 13.54 C ATOM 546 C THR A 35 20.826 18.235 0.074 1.00 5.00 C ATOM 547 O THR A 35 19.649 18.387 -0.252 1.00 14.13 O ATOM 548 CB THR A 35 22.134 16.445 -1.073 1.00 13.22 C ATOM 549 OG1 THR A 35 23.201 17.361 -1.343 1.00 14.30 O ATOM 550 CG2 THR A 35 21.159 16.435 -2.241 1.00 64.30 C ATOM 0 H THR A 35 19.443 16.148 0.335 1.00 32.23 H new ATOM 0 HA THR A 35 22.144 16.845 1.047 1.00 13.54 H new ATOM 0 HB THR A 35 22.540 15.441 -0.951 1.00 13.22 H new ATOM 0 HG1 THR A 35 23.652 17.103 -2.174 1.00 14.30 H new ATOM 0 HG21 THR A 35 21.686 16.154 -3.153 1.00 64.30 H new ATOM 0 HG22 THR A 35 20.364 15.715 -2.045 1.00 64.30 H new ATOM 0 HG23 THR A 35 20.727 17.428 -2.363 1.00 64.30 H new ATOM 558 N HIS A 36 21.650 19.252 0.305 1.00 43.42 N ATOM 559 CA HIS A 36 21.207 20.637 0.185 1.00 4.02 C ATOM 560 C HIS A 36 20.532 20.877 -1.162 1.00 21.13 C ATOM 561 O HIS A 36 20.987 20.405 -2.204 1.00 55.32 O ATOM 562 CB HIS A 36 22.392 21.590 0.352 1.00 73.41 C ATOM 563 CG HIS A 36 23.051 21.496 1.693 1.00 1.44 C ATOM 564 ND1 HIS A 36 22.531 22.079 2.830 1.00 51.12 N ATOM 565 CD2 HIS A 36 24.195 20.882 2.077 1.00 15.01 C ATOM 566 CE1 HIS A 36 23.327 21.829 3.854 1.00 32.30 C ATOM 567 NE2 HIS A 36 24.344 21.103 3.424 1.00 15.51 N ATOM 0 H HIS A 36 22.627 19.144 0.576 1.00 43.42 H new ATOM 0 HA HIS A 36 20.481 20.830 0.975 1.00 4.02 H new ATOM 0 HB2 HIS A 36 23.130 21.378 -0.422 1.00 73.41 H new ATOM 0 HB3 HIS A 36 22.050 22.613 0.195 1.00 73.41 H new ATOM 0 HD2 HIS A 36 24.866 20.322 1.442 1.00 15.01 H new ATOM 0 HE1 HIS A 36 23.173 22.161 4.870 1.00 32.30 H new ATOM 0 HE2 HIS A 36 25.114 20.762 3.999 1.00 15.51 H new ATOM 575 N PRO A 37 19.420 21.627 -1.142 1.00 3.04 N ATOM 576 CA PRO A 37 18.659 21.946 -2.353 1.00 14.12 C ATOM 577 C PRO A 37 19.407 22.905 -3.272 1.00 51.32 C ATOM 578 O PRO A 37 19.517 22.668 -4.475 1.00 55.33 O ATOM 579 CB PRO A 37 17.389 22.607 -1.810 1.00 22.13 C ATOM 580 CG PRO A 37 17.789 23.165 -0.487 1.00 75.23 C ATOM 581 CD PRO A 37 18.821 22.222 0.065 1.00 24.10 C ATOM 0 HA PRO A 37 18.469 21.061 -2.960 1.00 14.12 H new ATOM 0 HB2 PRO A 37 17.033 23.391 -2.479 1.00 22.13 H new ATOM 0 HB3 PRO A 37 16.580 21.884 -1.707 1.00 22.13 H new ATOM 0 HG2 PRO A 37 18.197 24.170 -0.595 1.00 75.23 H new ATOM 0 HG3 PRO A 37 16.931 23.239 0.181 1.00 75.23 H new ATOM 0 HD2 PRO A 37 19.564 22.746 0.666 1.00 24.10 H new ATOM 0 HD3 PRO A 37 18.371 21.464 0.706 1.00 24.10 H new ATOM 589 N ASP A 38 19.920 23.988 -2.698 1.00 61.15 N ATOM 590 CA ASP A 38 20.660 24.983 -3.467 1.00 32.43 C ATOM 591 C ASP A 38 22.106 25.071 -2.990 1.00 44.34 C ATOM 592 O ASP A 38 22.474 25.991 -2.260 1.00 4.11 O ATOM 593 CB ASP A 38 19.987 26.351 -3.351 1.00 51.22 C ATOM 594 CG ASP A 38 20.811 27.456 -3.982 1.00 54.43 C ATOM 595 OD1 ASP A 38 20.709 28.611 -3.518 1.00 4.53 O ATOM 596 OD2 ASP A 38 21.557 27.166 -4.940 1.00 41.31 O ATOM 0 H ASP A 38 19.837 24.199 -1.704 1.00 61.15 H new ATOM 0 HA ASP A 38 20.659 24.674 -4.512 1.00 32.43 H new ATOM 0 HB2 ASP A 38 19.008 26.313 -3.829 1.00 51.22 H new ATOM 0 HB3 ASP A 38 19.819 26.582 -2.299 1.00 51.22 H new ATOM 601 N SER A 39 22.922 24.109 -3.408 1.00 72.54 N ATOM 602 CA SER A 39 24.327 24.075 -3.021 1.00 1.14 C ATOM 603 C SER A 39 25.226 23.951 -4.247 1.00 3.41 C ATOM 604 O SER A 39 25.323 22.886 -4.856 1.00 21.31 O ATOM 605 CB SER A 39 24.587 22.910 -2.064 1.00 74.53 C ATOM 606 OG SER A 39 25.940 22.886 -1.644 1.00 14.44 O ATOM 0 H SER A 39 22.634 23.342 -4.015 1.00 72.54 H new ATOM 0 HA SER A 39 24.561 25.011 -2.514 1.00 1.14 H new ATOM 0 HB2 SER A 39 23.935 22.997 -1.195 1.00 74.53 H new ATOM 0 HB3 SER A 39 24.339 21.969 -2.556 1.00 74.53 H new ATOM 0 HG SER A 39 25.983 22.657 -0.692 1.00 14.44 H new ATOM 612 N LYS A 40 25.883 25.050 -4.604 1.00 62.32 N ATOM 613 CA LYS A 40 26.776 25.067 -5.757 1.00 23.14 C ATOM 614 C LYS A 40 28.000 24.190 -5.510 1.00 10.42 C ATOM 615 O LYS A 40 28.330 23.326 -6.322 1.00 32.22 O ATOM 616 CB LYS A 40 27.216 26.500 -6.066 1.00 21.23 C ATOM 617 CG LYS A 40 27.990 26.631 -7.366 1.00 52.40 C ATOM 618 CD LYS A 40 29.029 27.738 -7.287 1.00 74.43 C ATOM 619 CE LYS A 40 29.953 27.721 -8.495 1.00 24.33 C ATOM 620 NZ LYS A 40 30.127 29.079 -9.080 1.00 14.23 N ATOM 0 H LYS A 40 25.814 25.940 -4.111 1.00 62.32 H new ATOM 0 HA LYS A 40 26.232 24.668 -6.613 1.00 23.14 H new ATOM 0 HB2 LYS A 40 26.335 27.140 -6.111 1.00 21.23 H new ATOM 0 HB3 LYS A 40 27.834 26.866 -5.246 1.00 21.23 H new ATOM 0 HG2 LYS A 40 28.481 25.685 -7.595 1.00 52.40 H new ATOM 0 HG3 LYS A 40 27.299 26.837 -8.183 1.00 52.40 H new ATOM 0 HD2 LYS A 40 28.529 28.704 -7.224 1.00 74.43 H new ATOM 0 HD3 LYS A 40 29.617 27.623 -6.376 1.00 74.43 H new ATOM 0 HE2 LYS A 40 30.925 27.324 -8.203 1.00 24.33 H new ATOM 0 HE3 LYS A 40 29.549 27.049 -9.252 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 30.763 29.024 -9.901 1.00 14.23 H new ATOM 0 HZ2 LYS A 40 29.203 29.448 -9.382 1.00 14.23 H new ATOM 0 HZ3 LYS A 40 30.537 29.715 -8.366 1.00 14.23 H new ATOM 634 N ARG A 41 28.668 24.418 -4.384 1.00 2.42 N ATOM 635 CA ARG A 41 29.855 23.649 -4.031 1.00 0.05 C ATOM 636 C ARG A 41 29.521 22.166 -3.895 1.00 43.21 C ATOM 637 O ARG A 41 30.407 21.313 -3.946 1.00 3.23 O ATOM 638 CB ARG A 41 30.456 24.169 -2.723 1.00 55.01 C ATOM 639 CG ARG A 41 29.683 23.742 -1.486 1.00 22.32 C ATOM 640 CD ARG A 41 29.346 24.932 -0.601 1.00 74.32 C ATOM 641 NE ARG A 41 29.127 24.537 0.788 1.00 63.32 N ATOM 642 CZ ARG A 41 30.111 24.269 1.639 1.00 3.41 C ATOM 643 NH1 ARG A 41 31.374 24.355 1.245 1.00 25.35 N ATOM 644 NH2 ARG A 41 29.833 23.916 2.887 1.00 14.45 N ATOM 0 H ARG A 41 28.407 25.129 -3.701 1.00 2.42 H new ATOM 0 HA ARG A 41 30.585 23.768 -4.831 1.00 0.05 H new ATOM 0 HB2 ARG A 41 31.484 23.815 -2.639 1.00 55.01 H new ATOM 0 HB3 ARG A 41 30.496 25.258 -2.759 1.00 55.01 H new ATOM 0 HG2 ARG A 41 28.764 23.238 -1.786 1.00 22.32 H new ATOM 0 HG3 ARG A 41 30.271 23.021 -0.919 1.00 22.32 H new ATOM 0 HD2 ARG A 41 30.157 25.659 -0.647 1.00 74.32 H new ATOM 0 HD3 ARG A 41 28.452 25.426 -0.983 1.00 74.32 H new ATOM 0 HE ARG A 41 28.166 24.463 1.123 1.00 63.32 H new ATOM 0 HH11 ARG A 41 31.592 24.627 0.287 1.00 25.35 H new ATOM 0 HH12 ARG A 41 32.128 24.149 1.900 1.00 25.35 H new ATOM 0 HH21 ARG A 41 28.863 23.850 3.194 1.00 14.45 H new ATOM 0 HH22 ARG A 41 30.590 23.710 3.539 1.00 14.45 H new ATOM 658 N SER A 42 28.238 21.867 -3.722 1.00 52.22 N ATOM 659 CA SER A 42 27.787 20.488 -3.575 1.00 43.10 C ATOM 660 C SER A 42 26.833 20.105 -4.702 1.00 14.31 C ATOM 661 O SER A 42 26.677 20.841 -5.677 1.00 31.12 O ATOM 662 CB SER A 42 27.100 20.295 -2.222 1.00 3.53 C ATOM 663 OG SER A 42 27.465 19.058 -1.636 1.00 71.53 O ATOM 0 H SER A 42 27.492 22.561 -3.680 1.00 52.22 H new ATOM 0 HA SER A 42 28.661 19.839 -3.626 1.00 43.10 H new ATOM 0 HB2 SER A 42 27.371 21.112 -1.553 1.00 3.53 H new ATOM 0 HB3 SER A 42 26.018 20.335 -2.351 1.00 3.53 H new ATOM 0 HG SER A 42 27.014 18.960 -0.772 1.00 71.53 H new ATOM 669 N LYS A 43 26.195 18.948 -4.561 1.00 0.10 N ATOM 670 CA LYS A 43 25.254 18.465 -5.565 1.00 10.34 C ATOM 671 C LYS A 43 25.948 18.260 -6.907 1.00 42.23 C ATOM 672 O LYS A 43 25.295 18.173 -7.946 1.00 50.14 O ATOM 673 CB LYS A 43 24.095 19.452 -5.723 1.00 70.02 C ATOM 674 CG LYS A 43 22.795 18.968 -5.104 1.00 61.24 C ATOM 675 CD LYS A 43 21.630 19.113 -6.069 1.00 62.13 C ATOM 676 CE LYS A 43 20.881 20.418 -5.846 1.00 61.25 C ATOM 677 NZ LYS A 43 21.768 21.602 -6.017 1.00 14.22 N ATOM 0 H LYS A 43 26.313 18.327 -3.761 1.00 0.10 H new ATOM 0 HA LYS A 43 24.863 17.505 -5.229 1.00 10.34 H new ATOM 0 HB2 LYS A 43 24.373 20.402 -5.267 1.00 70.02 H new ATOM 0 HB3 LYS A 43 23.934 19.643 -6.784 1.00 70.02 H new ATOM 0 HG2 LYS A 43 22.898 17.923 -4.810 1.00 61.24 H new ATOM 0 HG3 LYS A 43 22.590 19.536 -4.196 1.00 61.24 H new ATOM 0 HD2 LYS A 43 21.998 19.074 -7.094 1.00 62.13 H new ATOM 0 HD3 LYS A 43 20.946 18.274 -5.944 1.00 62.13 H new ATOM 0 HE2 LYS A 43 20.049 20.483 -6.547 1.00 61.25 H new ATOM 0 HE3 LYS A 43 20.455 20.425 -4.843 1.00 61.25 H new ATOM 0 HZ1 LYS A 43 21.201 22.472 -5.958 1.00 14.22 H new ATOM 0 HZ2 LYS A 43 22.489 21.607 -5.268 1.00 14.22 H new ATOM 0 HZ3 LYS A 43 22.234 21.555 -6.945 1.00 14.22 H new ATOM 691 N GLU A 44 27.275 18.183 -6.877 1.00 30.43 N ATOM 692 CA GLU A 44 28.056 17.987 -8.092 1.00 62.13 C ATOM 693 C GLU A 44 28.122 16.508 -8.464 1.00 43.44 C ATOM 694 O GLU A 44 27.964 16.143 -9.630 1.00 11.33 O ATOM 695 CB GLU A 44 29.470 18.542 -7.911 1.00 44.22 C ATOM 696 CG GLU A 44 29.506 19.920 -7.272 1.00 10.11 C ATOM 697 CD GLU A 44 30.530 20.835 -7.915 1.00 55.52 C ATOM 698 OE1 GLU A 44 31.293 21.486 -7.171 1.00 52.53 O ATOM 699 OE2 GLU A 44 30.567 20.901 -9.162 1.00 2.25 O ATOM 0 H GLU A 44 27.831 18.253 -6.025 1.00 30.43 H new ATOM 0 HA GLU A 44 27.563 18.526 -8.901 1.00 62.13 H new ATOM 0 HB2 GLU A 44 30.047 17.851 -7.296 1.00 44.22 H new ATOM 0 HB3 GLU A 44 29.960 18.589 -8.883 1.00 44.22 H new ATOM 0 HG2 GLU A 44 28.519 20.377 -7.346 1.00 10.11 H new ATOM 0 HG3 GLU A 44 29.731 19.818 -6.210 1.00 10.11 H new ATOM 706 N ILE A 45 28.358 15.663 -7.467 1.00 13.35 N ATOM 707 CA ILE A 45 28.444 14.225 -7.688 1.00 43.33 C ATOM 708 C ILE A 45 27.098 13.653 -8.118 1.00 14.15 C ATOM 709 O ILE A 45 27.014 12.519 -8.589 1.00 31.33 O ATOM 710 CB ILE A 45 28.923 13.488 -6.423 1.00 51.35 C ATOM 711 CG1 ILE A 45 27.990 13.788 -5.248 1.00 50.34 C ATOM 712 CG2 ILE A 45 30.352 13.887 -6.087 1.00 62.32 C ATOM 713 CD1 ILE A 45 26.794 12.865 -5.175 1.00 63.41 C ATOM 0 H ILE A 45 28.493 15.949 -6.497 1.00 13.35 H new ATOM 0 HA ILE A 45 29.172 14.072 -8.485 1.00 43.33 H new ATOM 0 HB ILE A 45 28.902 12.415 -6.615 1.00 51.35 H new ATOM 0 HG12 ILE A 45 28.554 13.713 -4.318 1.00 50.34 H new ATOM 0 HG13 ILE A 45 27.640 14.817 -5.326 1.00 50.34 H new ATOM 0 HG21 ILE A 45 30.676 13.358 -5.191 1.00 62.32 H new ATOM 0 HG22 ILE A 45 31.007 13.628 -6.919 1.00 62.32 H new ATOM 0 HG23 ILE A 45 30.398 14.962 -5.911 1.00 62.32 H new ATOM 0 HD11 ILE A 45 26.177 13.136 -4.318 1.00 63.41 H new ATOM 0 HD12 ILE A 45 26.207 12.957 -6.089 1.00 63.41 H new ATOM 0 HD13 ILE A 45 27.135 11.836 -5.065 1.00 63.41 H new ATOM 725 N LYS A 46 26.045 14.447 -7.953 1.00 75.52 N ATOM 726 CA LYS A 46 24.700 14.022 -8.326 1.00 64.11 C ATOM 727 C LYS A 46 24.685 13.442 -9.737 1.00 13.21 C ATOM 728 O LYS A 46 24.124 12.372 -9.971 1.00 41.33 O ATOM 729 CB LYS A 46 23.728 15.200 -8.236 1.00 51.15 C ATOM 730 CG LYS A 46 23.465 15.665 -6.815 1.00 32.24 C ATOM 731 CD LYS A 46 22.658 14.641 -6.034 1.00 11.24 C ATOM 732 CE LYS A 46 23.045 14.631 -4.563 1.00 13.23 C ATOM 733 NZ LYS A 46 23.829 13.417 -4.204 1.00 4.53 N ATOM 0 H LYS A 46 26.097 15.388 -7.563 1.00 75.52 H new ATOM 0 HA LYS A 46 24.384 13.245 -7.630 1.00 64.11 H new ATOM 0 HB2 LYS A 46 24.126 16.034 -8.814 1.00 51.15 H new ATOM 0 HB3 LYS A 46 22.782 14.916 -8.697 1.00 51.15 H new ATOM 0 HG2 LYS A 46 24.413 15.845 -6.309 1.00 32.24 H new ATOM 0 HG3 LYS A 46 22.929 16.614 -6.835 1.00 32.24 H new ATOM 0 HD2 LYS A 46 21.595 14.863 -6.130 1.00 11.24 H new ATOM 0 HD3 LYS A 46 22.816 13.650 -6.460 1.00 11.24 H new ATOM 0 HE2 LYS A 46 23.630 15.522 -4.335 1.00 13.23 H new ATOM 0 HE3 LYS A 46 22.145 14.676 -3.950 1.00 13.23 H new ATOM 0 HZ1 LYS A 46 24.583 13.676 -3.536 1.00 4.53 H new ATOM 0 HZ2 LYS A 46 23.200 12.716 -3.763 1.00 4.53 H new ATOM 0 HZ3 LYS A 46 24.252 13.011 -5.063 1.00 4.53 H new ATOM 747 N GLU A 47 25.305 14.155 -10.672 1.00 12.41 N ATOM 748 CA GLU A 47 25.362 13.710 -12.059 1.00 74.12 C ATOM 749 C GLU A 47 25.879 12.277 -12.150 1.00 12.12 C ATOM 750 O GLU A 47 25.401 11.482 -12.960 1.00 3.23 O ATOM 751 CB GLU A 47 26.257 14.640 -12.880 1.00 61.15 C ATOM 752 CG GLU A 47 26.105 14.462 -14.382 1.00 23.32 C ATOM 753 CD GLU A 47 27.438 14.448 -15.105 1.00 52.44 C ATOM 754 OE1 GLU A 47 27.838 15.509 -15.630 1.00 72.22 O ATOM 755 OE2 GLU A 47 28.080 13.379 -15.147 1.00 62.52 O ATOM 0 H GLU A 47 25.775 15.043 -10.494 1.00 12.41 H new ATOM 0 HA GLU A 47 24.351 13.739 -12.465 1.00 74.12 H new ATOM 0 HB2 GLU A 47 26.028 15.674 -12.620 1.00 61.15 H new ATOM 0 HB3 GLU A 47 27.297 14.465 -12.605 1.00 61.15 H new ATOM 0 HG2 GLU A 47 25.577 13.529 -14.582 1.00 23.32 H new ATOM 0 HG3 GLU A 47 25.489 15.269 -14.779 1.00 23.32 H new ATOM 762 N LYS A 48 26.859 11.954 -11.313 1.00 10.32 N ATOM 763 CA LYS A 48 27.442 10.618 -11.296 1.00 3.11 C ATOM 764 C LYS A 48 26.379 9.564 -11.006 1.00 72.31 C ATOM 765 O LYS A 48 26.351 8.505 -11.636 1.00 4.43 O ATOM 766 CB LYS A 48 28.554 10.538 -10.248 1.00 22.15 C ATOM 767 CG LYS A 48 29.703 9.629 -10.648 1.00 45.11 C ATOM 768 CD LYS A 48 30.741 9.522 -9.543 1.00 33.42 C ATOM 769 CE LYS A 48 31.915 10.457 -9.788 1.00 31.25 C ATOM 770 NZ LYS A 48 32.418 11.058 -8.522 1.00 1.34 N ATOM 0 H LYS A 48 27.266 12.600 -10.637 1.00 10.32 H new ATOM 0 HA LYS A 48 27.865 10.421 -12.281 1.00 3.11 H new ATOM 0 HB2 LYS A 48 28.942 11.540 -10.065 1.00 22.15 H new ATOM 0 HB3 LYS A 48 28.131 10.183 -9.308 1.00 22.15 H new ATOM 0 HG2 LYS A 48 29.318 8.637 -10.884 1.00 45.11 H new ATOM 0 HG3 LYS A 48 30.173 10.012 -11.554 1.00 45.11 H new ATOM 0 HD2 LYS A 48 30.279 9.760 -8.585 1.00 33.42 H new ATOM 0 HD3 LYS A 48 31.100 8.495 -9.478 1.00 33.42 H new ATOM 0 HE2 LYS A 48 32.721 9.908 -10.275 1.00 31.25 H new ATOM 0 HE3 LYS A 48 31.611 11.250 -10.471 1.00 31.25 H new ATOM 0 HZ1 LYS A 48 33.218 11.689 -8.731 1.00 1.34 H new ATOM 0 HZ2 LYS A 48 31.656 11.603 -8.070 1.00 1.34 H new ATOM 0 HZ3 LYS A 48 32.732 10.303 -7.880 1.00 1.34 H new ATOM 784 N LEU A 49 25.504 9.860 -10.051 1.00 70.52 N ATOM 785 CA LEU A 49 24.437 8.937 -9.679 1.00 13.30 C ATOM 786 C LEU A 49 23.350 8.902 -10.749 1.00 20.22 C ATOM 787 O LEU A 49 22.720 7.869 -10.975 1.00 71.44 O ATOM 788 CB LEU A 49 23.831 9.343 -8.334 1.00 42.01 C ATOM 789 CG LEU A 49 22.907 8.317 -7.677 1.00 62.01 C ATOM 790 CD1 LEU A 49 23.686 7.071 -7.285 1.00 42.11 C ATOM 791 CD2 LEU A 49 22.217 8.921 -6.463 1.00 3.13 C ATOM 0 H LEU A 49 25.512 10.731 -9.521 1.00 70.52 H new ATOM 0 HA LEU A 49 24.867 7.939 -9.591 1.00 13.30 H new ATOM 0 HB2 LEU A 49 24.645 9.564 -7.643 1.00 42.01 H new ATOM 0 HB3 LEU A 49 23.272 10.268 -8.474 1.00 42.01 H new ATOM 0 HG LEU A 49 22.142 8.030 -8.399 1.00 62.01 H new ATOM 0 HD11 LEU A 49 23.012 6.352 -6.819 1.00 42.11 H new ATOM 0 HD12 LEU A 49 24.132 6.626 -8.174 1.00 42.11 H new ATOM 0 HD13 LEU A 49 24.473 7.340 -6.580 1.00 42.11 H new ATOM 0 HD21 LEU A 49 21.563 8.177 -6.008 1.00 3.13 H new ATOM 0 HD22 LEU A 49 22.967 9.237 -5.738 1.00 3.13 H new ATOM 0 HD23 LEU A 49 21.625 9.783 -6.772 1.00 3.13 H new ATOM 803 N LYS A 50 23.137 10.037 -11.406 1.00 33.20 N ATOM 804 CA LYS A 50 22.129 10.136 -12.455 1.00 41.21 C ATOM 805 C LYS A 50 22.505 9.271 -13.654 1.00 14.10 C ATOM 806 O LYS A 50 21.657 8.591 -14.232 1.00 74.10 O ATOM 807 CB LYS A 50 21.964 11.592 -12.895 1.00 54.55 C ATOM 808 CG LYS A 50 21.258 12.462 -11.869 1.00 73.23 C ATOM 809 CD LYS A 50 20.546 13.633 -12.526 1.00 33.33 C ATOM 810 CE LYS A 50 20.365 14.790 -11.555 1.00 41.04 C ATOM 811 NZ LYS A 50 20.366 16.105 -12.254 1.00 71.03 N ATOM 0 H LYS A 50 23.649 10.901 -11.231 1.00 33.20 H new ATOM 0 HA LYS A 50 21.183 9.775 -12.051 1.00 41.21 H new ATOM 0 HB2 LYS A 50 22.948 12.014 -13.101 1.00 54.55 H new ATOM 0 HB3 LYS A 50 21.403 11.619 -13.829 1.00 54.55 H new ATOM 0 HG2 LYS A 50 20.537 11.861 -11.315 1.00 73.23 H new ATOM 0 HG3 LYS A 50 21.983 12.835 -11.146 1.00 73.23 H new ATOM 0 HD2 LYS A 50 21.117 13.969 -13.391 1.00 33.33 H new ATOM 0 HD3 LYS A 50 19.572 13.309 -12.893 1.00 33.33 H new ATOM 0 HE2 LYS A 50 19.427 14.667 -11.014 1.00 41.04 H new ATOM 0 HE3 LYS A 50 21.165 14.771 -10.815 1.00 41.04 H new ATOM 0 HZ1 LYS A 50 20.240 16.868 -11.559 1.00 71.03 H new ATOM 0 HZ2 LYS A 50 21.271 16.234 -12.750 1.00 71.03 H new ATOM 0 HZ3 LYS A 50 19.587 16.133 -12.943 1.00 71.03 H new ATOM 825 N LYS A 51 23.781 9.300 -14.022 1.00 51.32 N ATOM 826 CA LYS A 51 24.270 8.517 -15.150 1.00 63.14 C ATOM 827 C LYS A 51 24.191 7.023 -14.851 1.00 4.42 C ATOM 828 O LYS A 51 24.022 6.206 -15.757 1.00 1.22 O ATOM 829 CB LYS A 51 25.713 8.906 -15.480 1.00 41.13 C ATOM 830 CG LYS A 51 25.894 9.428 -16.895 1.00 70.13 C ATOM 831 CD LYS A 51 27.207 10.176 -17.050 1.00 42.50 C ATOM 832 CE LYS A 51 27.346 10.776 -18.441 1.00 4.01 C ATOM 833 NZ LYS A 51 28.147 9.903 -19.343 1.00 45.54 N ATOM 0 H LYS A 51 24.496 9.858 -13.555 1.00 51.32 H new ATOM 0 HA LYS A 51 23.636 8.731 -16.010 1.00 63.14 H new ATOM 0 HB2 LYS A 51 26.045 9.668 -14.775 1.00 41.13 H new ATOM 0 HB3 LYS A 51 26.356 8.038 -15.337 1.00 41.13 H new ATOM 0 HG2 LYS A 51 25.864 8.595 -17.598 1.00 70.13 H new ATOM 0 HG3 LYS A 51 25.065 10.089 -17.149 1.00 70.13 H new ATOM 0 HD2 LYS A 51 27.266 10.968 -16.303 1.00 42.50 H new ATOM 0 HD3 LYS A 51 28.038 9.497 -16.861 1.00 42.50 H new ATOM 0 HE2 LYS A 51 26.356 10.931 -18.870 1.00 4.01 H new ATOM 0 HE3 LYS A 51 27.819 11.755 -18.369 1.00 4.01 H new ATOM 0 HZ1 LYS A 51 28.219 10.346 -20.281 1.00 45.54 H new ATOM 0 HZ2 LYS A 51 29.100 9.775 -18.946 1.00 45.54 H new ATOM 0 HZ3 LYS A 51 27.682 8.977 -19.432 1.00 45.54 H new ATOM 847 N LEU A 52 24.313 6.673 -13.575 1.00 45.42 N ATOM 848 CA LEU A 52 24.254 5.277 -13.156 1.00 3.31 C ATOM 849 C LEU A 52 22.942 4.633 -13.591 1.00 13.44 C ATOM 850 O LEU A 52 22.840 3.411 -13.685 1.00 30.45 O ATOM 851 CB LEU A 52 24.408 5.173 -11.637 1.00 42.55 C ATOM 852 CG LEU A 52 24.280 3.770 -11.044 1.00 61.03 C ATOM 853 CD1 LEU A 52 25.231 3.598 -9.870 1.00 15.14 C ATOM 854 CD2 LEU A 52 22.845 3.501 -10.615 1.00 40.23 C ATOM 0 H LEU A 52 24.453 7.336 -12.813 1.00 45.42 H new ATOM 0 HA LEU A 52 25.075 4.744 -13.636 1.00 3.31 H new ATOM 0 HB2 LEU A 52 25.384 5.574 -11.363 1.00 42.55 H new ATOM 0 HB3 LEU A 52 23.658 5.812 -11.171 1.00 42.55 H new ATOM 0 HG LEU A 52 24.550 3.046 -11.812 1.00 61.03 H new ATOM 0 HD11 LEU A 52 25.126 2.593 -9.461 1.00 15.14 H new ATOM 0 HD12 LEU A 52 26.257 3.747 -10.208 1.00 15.14 H new ATOM 0 HD13 LEU A 52 24.993 4.331 -9.099 1.00 15.14 H new ATOM 0 HD21 LEU A 52 22.773 2.498 -10.195 1.00 40.23 H new ATOM 0 HD22 LEU A 52 22.547 4.231 -9.863 1.00 40.23 H new ATOM 0 HD23 LEU A 52 22.186 3.581 -11.479 1.00 40.23 H new ATOM 866 N ALA A 53 21.940 5.465 -13.857 1.00 10.34 N ATOM 867 CA ALA A 53 20.635 4.977 -14.286 1.00 2.42 C ATOM 868 C ALA A 53 20.756 4.119 -15.540 1.00 74.41 C ATOM 869 O ALA A 53 19.870 3.319 -15.843 1.00 5.34 O ATOM 870 CB ALA A 53 19.690 6.144 -14.531 1.00 41.34 C ATOM 0 H ALA A 53 22.007 6.480 -13.783 1.00 10.34 H new ATOM 0 HA ALA A 53 20.227 4.355 -13.490 1.00 2.42 H new ATOM 0 HB1 ALA A 53 18.719 5.765 -14.851 1.00 41.34 H new ATOM 0 HB2 ALA A 53 19.571 6.715 -13.610 1.00 41.34 H new ATOM 0 HB3 ALA A 53 20.102 6.789 -15.308 1.00 41.34 H new ATOM 876 N GLU A 54 21.856 4.290 -16.266 1.00 0.30 N ATOM 877 CA GLU A 54 22.090 3.531 -17.489 1.00 31.03 C ATOM 878 C GLU A 54 22.526 2.104 -17.168 1.00 40.21 C ATOM 879 O GLU A 54 21.990 1.143 -17.717 1.00 75.42 O ATOM 880 CB GLU A 54 23.152 4.220 -18.348 1.00 23.22 C ATOM 881 CG GLU A 54 23.458 3.485 -19.642 1.00 44.32 C ATOM 882 CD GLU A 54 24.533 2.429 -19.473 1.00 72.45 C ATOM 883 OE1 GLU A 54 24.379 1.330 -20.048 1.00 44.42 O ATOM 884 OE2 GLU A 54 25.526 2.699 -18.767 1.00 41.20 O ATOM 0 H GLU A 54 22.599 4.947 -16.029 1.00 0.30 H new ATOM 0 HA GLU A 54 21.154 3.490 -18.046 1.00 31.03 H new ATOM 0 HB2 GLU A 54 22.817 5.230 -18.584 1.00 23.22 H new ATOM 0 HB3 GLU A 54 24.070 4.316 -17.768 1.00 23.22 H new ATOM 0 HG2 GLU A 54 22.547 3.015 -20.012 1.00 44.32 H new ATOM 0 HG3 GLU A 54 23.776 4.204 -20.397 1.00 44.32 H new ATOM 891 N GLU A 55 23.503 1.977 -16.276 1.00 21.43 N ATOM 892 CA GLU A 55 24.012 0.668 -15.883 1.00 62.22 C ATOM 893 C GLU A 55 22.905 -0.185 -15.270 1.00 61.24 C ATOM 894 O GLU A 55 22.919 -1.412 -15.379 1.00 53.52 O ATOM 895 CB GLU A 55 25.163 0.821 -14.887 1.00 3.40 C ATOM 896 CG GLU A 55 24.726 0.742 -13.434 1.00 74.51 C ATOM 897 CD GLU A 55 25.857 1.031 -12.467 1.00 63.32 C ATOM 898 OE1 GLU A 55 27.002 1.212 -12.932 1.00 42.21 O ATOM 899 OE2 GLU A 55 25.599 1.075 -11.246 1.00 53.34 O ATOM 0 H GLU A 55 23.958 2.764 -15.812 1.00 21.43 H new ATOM 0 HA GLU A 55 24.380 0.167 -16.778 1.00 62.22 H new ATOM 0 HB2 GLU A 55 25.903 0.044 -15.078 1.00 3.40 H new ATOM 0 HB3 GLU A 55 25.655 1.778 -15.058 1.00 3.40 H new ATOM 0 HG2 GLU A 55 23.917 1.452 -13.263 1.00 74.51 H new ATOM 0 HG3 GLU A 55 24.326 -0.252 -13.233 1.00 74.51 H new ATOM 906 N PHE A 56 21.948 0.473 -14.625 1.00 74.15 N ATOM 907 CA PHE A 56 20.833 -0.224 -13.993 1.00 43.15 C ATOM 908 C PHE A 56 19.680 0.735 -13.715 1.00 13.31 C ATOM 909 O PHE A 56 19.508 1.234 -12.602 1.00 64.14 O ATOM 910 CB PHE A 56 21.290 -0.883 -12.690 1.00 54.11 C ATOM 911 CG PHE A 56 20.386 -1.991 -12.230 1.00 54.41 C ATOM 912 CD1 PHE A 56 19.934 -2.035 -10.921 1.00 73.51 C ATOM 913 CD2 PHE A 56 19.988 -2.987 -13.107 1.00 22.44 C ATOM 914 CE1 PHE A 56 19.101 -3.053 -10.495 1.00 24.35 C ATOM 915 CE2 PHE A 56 19.156 -4.007 -12.686 1.00 32.41 C ATOM 916 CZ PHE A 56 18.713 -4.041 -11.378 1.00 71.10 C ATOM 0 H PHE A 56 21.922 1.488 -14.526 1.00 74.15 H new ATOM 0 HA PHE A 56 20.483 -0.995 -14.679 1.00 43.15 H new ATOM 0 HB2 PHE A 56 22.297 -1.279 -12.826 1.00 54.11 H new ATOM 0 HB3 PHE A 56 21.348 -0.124 -11.909 1.00 54.11 H new ATOM 0 HD1 PHE A 56 20.236 -1.266 -10.226 1.00 73.51 H new ATOM 0 HD2 PHE A 56 20.332 -2.966 -14.131 1.00 22.44 H new ATOM 0 HE1 PHE A 56 18.754 -3.075 -9.472 1.00 24.35 H new ATOM 0 HE2 PHE A 56 18.852 -4.777 -13.379 1.00 32.41 H new ATOM 0 HZ PHE A 56 18.065 -4.839 -11.047 1.00 71.10 H new ATOM 926 N PRO A 57 18.869 1.001 -14.750 1.00 11.11 N ATOM 927 CA PRO A 57 17.717 1.902 -14.642 1.00 65.14 C ATOM 928 C PRO A 57 16.598 1.313 -13.790 1.00 44.13 C ATOM 929 O PRO A 57 15.620 1.992 -13.478 1.00 2.31 O ATOM 930 CB PRO A 57 17.257 2.063 -16.093 1.00 54.21 C ATOM 931 CG PRO A 57 17.726 0.827 -16.779 1.00 71.03 C ATOM 932 CD PRO A 57 19.013 0.442 -16.105 1.00 5.15 C ATOM 0 HA PRO A 57 17.978 2.842 -14.156 1.00 65.14 H new ATOM 0 HB2 PRO A 57 16.173 2.164 -16.156 1.00 54.21 H new ATOM 0 HB3 PRO A 57 17.687 2.955 -16.548 1.00 54.21 H new ATOM 0 HG2 PRO A 57 16.988 0.030 -16.694 1.00 71.03 H new ATOM 0 HG3 PRO A 57 17.881 1.006 -17.843 1.00 71.03 H new ATOM 0 HD2 PRO A 57 19.146 -0.640 -16.081 1.00 5.15 H new ATOM 0 HD3 PRO A 57 19.878 0.859 -16.622 1.00 5.15 H new ATOM 940 N ASP A 58 16.749 0.047 -13.417 1.00 51.11 N ATOM 941 CA ASP A 58 15.751 -0.633 -12.599 1.00 41.23 C ATOM 942 C ASP A 58 15.558 0.086 -11.268 1.00 3.32 C ATOM 943 O ASP A 58 14.431 0.359 -10.855 1.00 51.01 O ATOM 944 CB ASP A 58 16.165 -2.085 -12.354 1.00 0.52 C ATOM 945 CG ASP A 58 15.707 -2.596 -11.002 1.00 62.53 C ATOM 946 OD1 ASP A 58 14.694 -3.326 -10.956 1.00 24.02 O ATOM 947 OD2 ASP A 58 16.362 -2.268 -9.991 1.00 61.42 O ATOM 0 H ASP A 58 17.552 -0.529 -13.668 1.00 51.11 H new ATOM 0 HA ASP A 58 14.804 -0.620 -13.139 1.00 41.23 H new ATOM 0 HB2 ASP A 58 15.748 -2.716 -13.138 1.00 0.52 H new ATOM 0 HB3 ASP A 58 17.250 -2.167 -12.422 1.00 0.52 H new ATOM 952 N VAL A 59 16.666 0.390 -10.599 1.00 63.01 N ATOM 953 CA VAL A 59 16.620 1.077 -9.314 1.00 55.31 C ATOM 954 C VAL A 59 16.137 2.514 -9.477 1.00 2.33 C ATOM 955 O VAL A 59 16.491 3.193 -10.441 1.00 54.20 O ATOM 956 CB VAL A 59 18.000 1.085 -8.631 1.00 61.12 C ATOM 957 CG1 VAL A 59 18.957 2.006 -9.372 1.00 3.32 C ATOM 958 CG2 VAL A 59 17.870 1.498 -7.173 1.00 4.21 C ATOM 0 H VAL A 59 17.607 0.171 -10.926 1.00 63.01 H new ATOM 0 HA VAL A 59 15.917 0.529 -8.687 1.00 55.31 H new ATOM 0 HB VAL A 59 18.408 0.075 -8.663 1.00 61.12 H new ATOM 0 HG11 VAL A 59 19.927 1.999 -8.875 1.00 3.32 H new ATOM 0 HG12 VAL A 59 19.073 1.660 -10.399 1.00 3.32 H new ATOM 0 HG13 VAL A 59 18.558 3.020 -9.374 1.00 3.32 H new ATOM 0 HG21 VAL A 59 18.855 1.498 -6.706 1.00 4.21 H new ATOM 0 HG22 VAL A 59 17.441 2.498 -7.115 1.00 4.21 H new ATOM 0 HG23 VAL A 59 17.221 0.794 -6.652 1.00 4.21 H new ATOM 968 N ASP A 60 15.329 2.972 -8.527 1.00 75.04 N ATOM 969 CA ASP A 60 14.798 4.330 -8.564 1.00 21.11 C ATOM 970 C ASP A 60 15.676 5.278 -7.753 1.00 42.25 C ATOM 971 O ASP A 60 16.627 4.851 -7.098 1.00 10.33 O ATOM 972 CB ASP A 60 13.367 4.356 -8.026 1.00 75.23 C ATOM 973 CG ASP A 60 13.308 4.152 -6.525 1.00 41.11 C ATOM 974 OD1 ASP A 60 13.696 5.080 -5.785 1.00 24.15 O ATOM 975 OD2 ASP A 60 12.873 3.065 -6.091 1.00 2.33 O ATOM 0 H ASP A 60 15.027 2.423 -7.722 1.00 75.04 H new ATOM 0 HA ASP A 60 14.794 4.664 -9.602 1.00 21.11 H new ATOM 0 HB2 ASP A 60 12.905 5.310 -8.278 1.00 75.23 H new ATOM 0 HB3 ASP A 60 12.783 3.579 -8.518 1.00 75.23 H new ATOM 980 N ILE A 61 15.352 6.566 -7.804 1.00 71.35 N ATOM 981 CA ILE A 61 16.111 7.574 -7.075 1.00 62.22 C ATOM 982 C ILE A 61 15.198 8.419 -6.194 1.00 12.10 C ATOM 983 O ILE A 61 14.073 8.741 -6.577 1.00 34.24 O ATOM 984 CB ILE A 61 16.882 8.500 -8.034 1.00 4.34 C ATOM 985 CG1 ILE A 61 17.890 7.695 -8.856 1.00 25.33 C ATOM 986 CG2 ILE A 61 17.586 9.601 -7.254 1.00 53.43 C ATOM 987 CD1 ILE A 61 17.758 7.903 -10.348 1.00 15.40 C ATOM 0 H ILE A 61 14.569 6.936 -8.343 1.00 71.35 H new ATOM 0 HA ILE A 61 16.824 7.040 -6.447 1.00 62.22 H new ATOM 0 HB ILE A 61 16.171 8.963 -8.719 1.00 4.34 H new ATOM 0 HG12 ILE A 61 18.899 7.969 -8.547 1.00 25.33 H new ATOM 0 HG13 ILE A 61 17.765 6.635 -8.633 1.00 25.33 H new ATOM 0 HG21 ILE A 61 18.127 10.248 -7.945 1.00 53.43 H new ATOM 0 HG22 ILE A 61 16.848 10.189 -6.709 1.00 53.43 H new ATOM 0 HG23 ILE A 61 18.288 9.156 -6.549 1.00 53.43 H new ATOM 0 HD11 ILE A 61 18.504 7.301 -10.867 1.00 15.40 H new ATOM 0 HD12 ILE A 61 16.761 7.602 -10.671 1.00 15.40 H new ATOM 0 HD13 ILE A 61 17.913 8.956 -10.584 1.00 15.40 H new ATOM 999 N TYR A 62 15.690 8.777 -5.013 1.00 50.24 N ATOM 1000 CA TYR A 62 14.918 9.585 -4.077 1.00 1.23 C ATOM 1001 C TYR A 62 15.764 10.722 -3.512 1.00 25.13 C ATOM 1002 O TYR A 62 16.754 10.489 -2.815 1.00 75.25 O ATOM 1003 CB TYR A 62 14.387 8.715 -2.937 1.00 21.53 C ATOM 1004 CG TYR A 62 13.290 9.374 -2.132 1.00 23.05 C ATOM 1005 CD1 TYR A 62 11.994 8.873 -2.145 1.00 63.24 C ATOM 1006 CD2 TYR A 62 13.549 10.498 -1.358 1.00 4.52 C ATOM 1007 CE1 TYR A 62 10.989 9.472 -1.412 1.00 13.30 C ATOM 1008 CE2 TYR A 62 12.550 11.104 -0.620 1.00 64.51 C ATOM 1009 CZ TYR A 62 11.272 10.587 -0.651 1.00 31.05 C ATOM 1010 OH TYR A 62 10.274 11.188 0.082 1.00 73.31 O ATOM 0 H TYR A 62 16.620 8.520 -4.681 1.00 50.24 H new ATOM 0 HA TYR A 62 14.076 10.017 -4.618 1.00 1.23 H new ATOM 0 HB2 TYR A 62 14.011 7.779 -3.350 1.00 21.53 H new ATOM 0 HB3 TYR A 62 15.212 8.460 -2.271 1.00 21.53 H new ATOM 0 HD1 TYR A 62 11.769 8.000 -2.739 1.00 63.24 H new ATOM 0 HD2 TYR A 62 14.549 10.906 -1.333 1.00 4.52 H new ATOM 0 HE1 TYR A 62 9.987 9.070 -1.434 1.00 13.30 H new ATOM 0 HE2 TYR A 62 12.769 11.977 -0.023 1.00 64.51 H new ATOM 0 HH TYR A 62 9.418 10.751 -0.111 1.00 73.31 H new ATOM 1020 N LEU A 63 15.369 11.953 -3.816 1.00 34.11 N ATOM 1021 CA LEU A 63 16.089 13.128 -3.339 1.00 1.24 C ATOM 1022 C LEU A 63 15.361 13.773 -2.164 1.00 2.24 C ATOM 1023 O LEU A 63 14.133 13.855 -2.150 1.00 11.11 O ATOM 1024 CB LEU A 63 16.255 14.144 -4.470 1.00 75.24 C ATOM 1025 CG LEU A 63 17.643 14.221 -5.105 1.00 64.14 C ATOM 1026 CD1 LEU A 63 17.551 14.748 -6.529 1.00 1.32 C ATOM 1027 CD2 LEU A 63 18.564 15.097 -4.269 1.00 24.12 C ATOM 0 H LEU A 63 14.553 12.163 -4.391 1.00 34.11 H new ATOM 0 HA LEU A 63 17.074 12.807 -3.001 1.00 1.24 H new ATOM 0 HB2 LEU A 63 15.533 13.909 -5.252 1.00 75.24 H new ATOM 0 HB3 LEU A 63 15.998 15.131 -4.085 1.00 75.24 H new ATOM 0 HG LEU A 63 18.062 13.215 -5.138 1.00 64.14 H new ATOM 0 HD11 LEU A 63 18.549 14.796 -6.964 1.00 1.32 H new ATOM 0 HD12 LEU A 63 16.927 14.081 -7.124 1.00 1.32 H new ATOM 0 HD13 LEU A 63 17.111 15.745 -6.520 1.00 1.32 H new ATOM 0 HD21 LEU A 63 19.548 15.140 -4.736 1.00 24.12 H new ATOM 0 HD22 LEU A 63 18.149 16.103 -4.203 1.00 24.12 H new ATOM 0 HD23 LEU A 63 18.656 14.676 -3.268 1.00 24.12 H new ATOM 1039 N VAL A 64 16.127 14.232 -1.179 1.00 45.01 N ATOM 1040 CA VAL A 64 15.556 14.873 -0.001 1.00 1.21 C ATOM 1041 C VAL A 64 16.277 16.178 0.318 1.00 14.24 C ATOM 1042 O VAL A 64 17.499 16.269 0.203 1.00 70.24 O ATOM 1043 CB VAL A 64 15.623 13.949 1.229 1.00 35.51 C ATOM 1044 CG1 VAL A 64 14.816 14.531 2.380 1.00 51.24 C ATOM 1045 CG2 VAL A 64 15.130 12.554 0.874 1.00 75.00 C ATOM 0 H VAL A 64 17.145 14.172 -1.174 1.00 45.01 H new ATOM 0 HA VAL A 64 14.512 15.084 -0.231 1.00 1.21 H new ATOM 0 HB VAL A 64 16.662 13.873 1.548 1.00 35.51 H new ATOM 0 HG11 VAL A 64 14.875 13.864 3.240 1.00 51.24 H new ATOM 0 HG12 VAL A 64 15.219 15.507 2.650 1.00 51.24 H new ATOM 0 HG13 VAL A 64 13.775 14.639 2.076 1.00 51.24 H new ATOM 0 HG21 VAL A 64 15.184 11.914 1.755 1.00 75.00 H new ATOM 0 HG22 VAL A 64 14.098 12.610 0.529 1.00 75.00 H new ATOM 0 HG23 VAL A 64 15.755 12.137 0.084 1.00 75.00 H new ATOM 1055 N ASP A 65 15.512 17.187 0.721 1.00 35.43 N ATOM 1056 CA ASP A 65 16.077 18.488 1.060 1.00 71.35 C ATOM 1057 C ASP A 65 15.914 18.780 2.548 1.00 44.52 C ATOM 1058 O ASP A 65 14.798 18.933 3.044 1.00 75.11 O ATOM 1059 CB ASP A 65 15.408 19.588 0.234 1.00 0.25 C ATOM 1060 CG ASP A 65 14.005 19.213 -0.202 1.00 3.43 C ATOM 1061 OD1 ASP A 65 13.233 18.715 0.645 1.00 45.51 O ATOM 1062 OD2 ASP A 65 13.679 19.419 -1.389 1.00 71.32 O ATOM 0 H ASP A 65 14.499 17.129 0.821 1.00 35.43 H new ATOM 0 HA ASP A 65 17.142 18.467 0.828 1.00 71.35 H new ATOM 0 HB2 ASP A 65 15.370 20.506 0.820 1.00 0.25 H new ATOM 0 HB3 ASP A 65 16.015 19.797 -0.647 1.00 0.25 H new ATOM 1067 N THR A 66 17.036 18.857 3.257 1.00 65.02 N ATOM 1068 CA THR A 66 17.019 19.129 4.688 1.00 31.05 C ATOM 1069 C THR A 66 16.179 20.361 5.004 1.00 52.33 C ATOM 1070 O THR A 66 15.615 20.478 6.091 1.00 14.05 O ATOM 1071 CB THR A 66 18.443 19.338 5.238 1.00 34.11 C ATOM 1072 OG1 THR A 66 19.325 19.724 4.179 1.00 61.25 O ATOM 1073 CG2 THR A 66 18.959 18.069 5.898 1.00 24.34 C ATOM 0 H THR A 66 17.969 18.735 2.862 1.00 65.02 H new ATOM 0 HA THR A 66 16.576 18.257 5.169 1.00 31.05 H new ATOM 0 HB THR A 66 18.408 20.129 5.987 1.00 34.11 H new ATOM 0 HG1 THR A 66 20.228 19.857 4.537 1.00 61.25 H new ATOM 0 HG21 THR A 66 19.966 18.240 6.279 1.00 24.34 H new ATOM 0 HG22 THR A 66 18.301 17.794 6.723 1.00 24.34 H new ATOM 0 HG23 THR A 66 18.980 17.261 5.166 1.00 24.34 H new ATOM 1081 N SER A 67 16.099 21.279 4.045 1.00 23.31 N ATOM 1082 CA SER A 67 15.330 22.505 4.222 1.00 32.42 C ATOM 1083 C SER A 67 13.901 22.191 4.657 1.00 43.42 C ATOM 1084 O SER A 67 13.253 22.994 5.329 1.00 4.33 O ATOM 1085 CB SER A 67 15.314 23.314 2.924 1.00 2.01 C ATOM 1086 OG SER A 67 15.479 24.697 3.184 1.00 42.35 O ATOM 0 H SER A 67 16.558 21.196 3.138 1.00 23.31 H new ATOM 0 HA SER A 67 15.808 23.096 5.003 1.00 32.42 H new ATOM 0 HB2 SER A 67 16.110 22.967 2.265 1.00 2.01 H new ATOM 0 HB3 SER A 67 14.372 23.149 2.400 1.00 2.01 H new ATOM 0 HG SER A 67 15.467 25.192 2.339 1.00 42.35 H new ATOM 1092 N THR A 68 13.415 21.017 4.267 1.00 31.14 N ATOM 1093 CA THR A 68 12.063 20.596 4.614 1.00 4.35 C ATOM 1094 C THR A 68 12.067 19.695 5.844 1.00 72.33 C ATOM 1095 O THR A 68 11.097 19.656 6.599 1.00 34.11 O ATOM 1096 CB THR A 68 11.390 19.851 3.447 1.00 73.10 C ATOM 1097 OG1 THR A 68 12.211 18.756 3.026 1.00 41.35 O ATOM 1098 CG2 THR A 68 11.146 20.789 2.275 1.00 52.23 C ATOM 0 H THR A 68 13.938 20.341 3.710 1.00 31.14 H new ATOM 0 HA THR A 68 11.496 21.501 4.832 1.00 4.35 H new ATOM 0 HB THR A 68 10.429 19.471 3.794 1.00 73.10 H new ATOM 0 HG1 THR A 68 12.815 19.055 2.314 1.00 41.35 H new ATOM 0 HG21 THR A 68 10.670 20.240 1.463 1.00 52.23 H new ATOM 0 HG22 THR A 68 10.496 21.605 2.591 1.00 52.23 H new ATOM 0 HG23 THR A 68 12.097 21.195 1.930 1.00 52.23 H new ATOM 1106 N ASN A 69 13.165 18.971 6.038 1.00 13.32 N ATOM 1107 CA ASN A 69 13.294 18.069 7.177 1.00 11.50 C ATOM 1108 C ASN A 69 14.549 18.388 7.983 1.00 3.15 C ATOM 1109 O ASN A 69 15.486 17.592 8.062 1.00 54.54 O ATOM 1110 CB ASN A 69 13.335 16.616 6.701 1.00 2.00 C ATOM 1111 CG ASN A 69 14.511 16.341 5.783 1.00 12.42 C ATOM 1112 OD1 ASN A 69 14.671 16.992 4.750 1.00 22.51 O ATOM 1113 ND2 ASN A 69 15.340 15.374 6.157 1.00 31.23 N ATOM 0 H ASN A 69 13.978 18.991 5.422 1.00 13.32 H new ATOM 0 HA ASN A 69 12.425 18.209 7.820 1.00 11.50 H new ATOM 0 HB2 ASN A 69 13.390 15.955 7.566 1.00 2.00 H new ATOM 0 HB3 ASN A 69 12.407 16.381 6.179 1.00 2.00 H new ATOM 0 HD21 ASN A 69 16.149 15.144 5.580 1.00 31.23 H new ATOM 0 HD22 ASN A 69 15.168 14.861 7.021 1.00 31.23 H new ATOM 1120 N PRO A 70 14.571 19.580 8.599 1.00 74.31 N ATOM 1121 CA PRO A 70 15.704 20.031 9.412 1.00 62.25 C ATOM 1122 C PRO A 70 15.833 19.247 10.713 1.00 60.51 C ATOM 1123 O PRO A 70 16.931 18.852 11.104 1.00 41.32 O ATOM 1124 CB PRO A 70 15.372 21.497 9.701 1.00 31.42 C ATOM 1125 CG PRO A 70 13.888 21.575 9.602 1.00 14.30 C ATOM 1126 CD PRO A 70 13.489 20.578 8.549 1.00 4.22 C ATOM 0 HA PRO A 70 16.655 19.888 8.900 1.00 62.25 H new ATOM 0 HB2 PRO A 70 15.719 21.794 10.691 1.00 31.42 H new ATOM 0 HB3 PRO A 70 15.852 22.161 8.982 1.00 31.42 H new ATOM 0 HG2 PRO A 70 13.420 21.340 10.558 1.00 14.30 H new ATOM 0 HG3 PRO A 70 13.568 22.580 9.329 1.00 14.30 H new ATOM 0 HD2 PRO A 70 12.519 20.131 8.766 1.00 4.22 H new ATOM 0 HD3 PRO A 70 13.414 21.041 7.565 1.00 4.22 H new ATOM 1134 N GLU A 71 14.704 19.024 11.379 1.00 60.35 N ATOM 1135 CA GLU A 71 14.693 18.286 12.636 1.00 14.45 C ATOM 1136 C GLU A 71 15.045 16.819 12.410 1.00 3.03 C ATOM 1137 O GLU A 71 15.637 16.172 13.274 1.00 74.43 O ATOM 1138 CB GLU A 71 13.320 18.395 13.305 1.00 44.33 C ATOM 1139 CG GLU A 71 13.242 19.486 14.360 1.00 21.40 C ATOM 1140 CD GLU A 71 13.754 19.027 15.712 1.00 74.22 C ATOM 1141 OE1 GLU A 71 14.530 18.050 15.751 1.00 64.40 O ATOM 1142 OE2 GLU A 71 13.377 19.644 16.730 1.00 43.11 O ATOM 0 H GLU A 71 13.786 19.344 11.069 1.00 60.35 H new ATOM 0 HA GLU A 71 15.445 18.725 13.291 1.00 14.45 H new ATOM 0 HB2 GLU A 71 12.567 18.586 12.541 1.00 44.33 H new ATOM 0 HB3 GLU A 71 13.072 17.438 13.765 1.00 44.33 H new ATOM 0 HG2 GLU A 71 13.822 20.348 14.030 1.00 21.40 H new ATOM 0 HG3 GLU A 71 12.208 19.816 14.460 1.00 21.40 H new ATOM 1149 N ALA A 72 14.677 16.301 11.243 1.00 41.30 N ATOM 1150 CA ALA A 72 14.955 14.912 10.902 1.00 63.32 C ATOM 1151 C ALA A 72 16.426 14.576 11.123 1.00 2.02 C ATOM 1152 O ALA A 72 16.757 13.523 11.669 1.00 0.55 O ATOM 1153 CB ALA A 72 14.560 14.633 9.459 1.00 14.04 C ATOM 0 H ALA A 72 14.185 16.823 10.518 1.00 41.30 H new ATOM 0 HA ALA A 72 14.361 14.277 11.559 1.00 63.32 H new ATOM 0 HB1 ALA A 72 14.773 13.592 9.218 1.00 14.04 H new ATOM 0 HB2 ALA A 72 13.495 14.824 9.330 1.00 14.04 H new ATOM 0 HB3 ALA A 72 15.129 15.283 8.794 1.00 14.04 H new ATOM 1159 N ARG A 73 17.305 15.477 10.695 1.00 71.50 N ATOM 1160 CA ARG A 73 18.741 15.274 10.845 1.00 51.30 C ATOM 1161 C ARG A 73 19.093 14.928 12.289 1.00 62.44 C ATOM 1162 O ARG A 73 19.573 13.831 12.574 1.00 40.03 O ATOM 1163 CB ARG A 73 19.502 16.528 10.410 1.00 62.22 C ATOM 1164 CG ARG A 73 19.904 16.518 8.944 1.00 51.30 C ATOM 1165 CD ARG A 73 21.364 16.131 8.769 1.00 71.40 C ATOM 1166 NE ARG A 73 22.125 17.165 8.074 1.00 43.11 N ATOM 1167 CZ ARG A 73 22.605 18.250 8.671 1.00 43.32 C ATOM 1168 NH1 ARG A 73 22.404 18.442 9.967 1.00 22.33 N ATOM 1169 NH2 ARG A 73 23.289 19.147 7.971 1.00 73.34 N ATOM 0 H ARG A 73 17.048 16.354 10.242 1.00 71.50 H new ATOM 0 HA ARG A 73 19.034 14.440 10.208 1.00 51.30 H new ATOM 0 HB2 ARG A 73 18.882 17.404 10.602 1.00 62.22 H new ATOM 0 HB3 ARG A 73 20.397 16.630 11.023 1.00 62.22 H new ATOM 0 HG2 ARG A 73 19.273 15.817 8.397 1.00 51.30 H new ATOM 0 HG3 ARG A 73 19.734 17.504 8.512 1.00 51.30 H new ATOM 0 HD2 ARG A 73 21.810 15.948 9.747 1.00 71.40 H new ATOM 0 HD3 ARG A 73 21.427 15.197 8.210 1.00 71.40 H new ATOM 0 HE ARG A 73 22.297 17.048 7.076 1.00 43.11 H new ATOM 0 HH11 ARG A 73 21.879 17.755 10.509 1.00 22.33 H new ATOM 0 HH12 ARG A 73 22.774 19.276 10.422 1.00 22.33 H new ATOM 0 HH21 ARG A 73 23.446 19.003 6.974 1.00 73.34 H new ATOM 0 HH22 ARG A 73 23.657 19.980 8.431 1.00 73.34 H new ATOM 1183 N GLU A 74 18.852 15.871 13.194 1.00 31.51 N ATOM 1184 CA GLU A 74 19.145 15.664 14.607 1.00 4.35 C ATOM 1185 C GLU A 74 18.364 14.475 15.158 1.00 73.24 C ATOM 1186 O GLU A 74 18.816 13.794 16.078 1.00 70.31 O ATOM 1187 CB GLU A 74 18.811 16.924 15.410 1.00 74.43 C ATOM 1188 CG GLU A 74 19.689 18.115 15.067 1.00 25.15 C ATOM 1189 CD GLU A 74 18.915 19.418 15.023 1.00 32.31 C ATOM 1190 OE1 GLU A 74 18.105 19.657 15.944 1.00 44.55 O ATOM 1191 OE2 GLU A 74 19.117 20.197 14.069 1.00 64.23 O ATOM 0 H GLU A 74 18.455 16.785 12.974 1.00 31.51 H new ATOM 0 HA GLU A 74 20.210 15.452 14.703 1.00 4.35 H new ATOM 0 HB2 GLU A 74 17.768 17.190 15.236 1.00 74.43 H new ATOM 0 HB3 GLU A 74 18.911 16.704 16.473 1.00 74.43 H new ATOM 0 HG2 GLU A 74 20.488 18.196 15.804 1.00 25.15 H new ATOM 0 HG3 GLU A 74 20.163 17.946 14.100 1.00 25.15 H new ATOM 1198 N TRP A 75 17.189 14.232 14.588 1.00 40.24 N ATOM 1199 CA TRP A 75 16.344 13.125 15.021 1.00 55.51 C ATOM 1200 C TRP A 75 17.127 11.818 15.043 1.00 24.10 C ATOM 1201 O TRP A 75 16.868 10.942 15.868 1.00 22.15 O ATOM 1202 CB TRP A 75 15.131 12.992 14.099 1.00 73.14 C ATOM 1203 CG TRP A 75 13.939 12.378 14.769 1.00 0.44 C ATOM 1204 CD1 TRP A 75 12.916 13.039 15.388 1.00 5.12 C ATOM 1205 CD2 TRP A 75 13.648 10.982 14.890 1.00 22.21 C ATOM 1206 NE1 TRP A 75 12.007 12.137 15.886 1.00 4.24 N ATOM 1207 CE2 TRP A 75 12.433 10.869 15.593 1.00 32.42 C ATOM 1208 CE3 TRP A 75 14.295 9.816 14.471 1.00 73.00 C ATOM 1209 CZ2 TRP A 75 11.855 9.636 15.886 1.00 55.41 C ATOM 1210 CZ3 TRP A 75 13.720 8.594 14.763 1.00 73.24 C ATOM 1211 CH2 TRP A 75 12.509 8.511 15.464 1.00 43.43 C ATOM 0 H TRP A 75 16.800 14.786 13.825 1.00 40.24 H new ATOM 0 HA TRP A 75 16.001 13.337 16.034 1.00 55.51 H new ATOM 0 HB2 TRP A 75 14.859 13.979 13.723 1.00 73.14 H new ATOM 0 HB3 TRP A 75 15.405 12.386 13.235 1.00 73.14 H new ATOM 0 HD1 TRP A 75 12.834 14.112 15.473 1.00 5.12 H new ATOM 0 HE1 TRP A 75 11.153 12.374 16.392 1.00 4.24 H new ATOM 0 HE3 TRP A 75 15.228 9.869 13.929 1.00 73.00 H new ATOM 0 HZ2 TRP A 75 10.923 9.570 16.428 1.00 55.41 H new ATOM 0 HZ3 TRP A 75 14.212 7.687 14.445 1.00 73.24 H new ATOM 0 HH2 TRP A 75 12.084 7.541 15.675 1.00 43.43 H new ATOM 1222 N TYR A 76 18.086 11.692 14.132 1.00 1.53 N ATOM 1223 CA TYR A 76 18.906 10.490 14.047 1.00 43.05 C ATOM 1224 C TYR A 76 20.391 10.841 14.056 1.00 51.41 C ATOM 1225 O TYR A 76 21.242 9.996 13.784 1.00 31.42 O ATOM 1226 CB TYR A 76 18.565 9.704 12.780 1.00 71.33 C ATOM 1227 CG TYR A 76 19.158 8.313 12.752 1.00 52.11 C ATOM 1228 CD1 TYR A 76 18.803 7.367 13.705 1.00 23.54 C ATOM 1229 CD2 TYR A 76 20.073 7.946 11.773 1.00 31.02 C ATOM 1230 CE1 TYR A 76 19.343 6.095 13.685 1.00 71.15 C ATOM 1231 CE2 TYR A 76 20.616 6.676 11.744 1.00 44.33 C ATOM 1232 CZ TYR A 76 20.249 5.755 12.701 1.00 35.55 C ATOM 1233 OH TYR A 76 20.789 4.489 12.676 1.00 12.24 O ATOM 0 H TYR A 76 18.314 12.408 13.442 1.00 1.53 H new ATOM 0 HA TYR A 76 18.692 9.873 14.919 1.00 43.05 H new ATOM 0 HB2 TYR A 76 17.481 9.630 12.689 1.00 71.33 H new ATOM 0 HB3 TYR A 76 18.920 10.259 11.912 1.00 71.33 H new ATOM 0 HD1 TYR A 76 18.093 7.630 14.475 1.00 23.54 H new ATOM 0 HD2 TYR A 76 20.365 8.665 11.022 1.00 31.02 H new ATOM 0 HE1 TYR A 76 19.058 5.372 14.435 1.00 71.15 H new ATOM 0 HE2 TYR A 76 21.325 6.406 10.975 1.00 44.33 H new ATOM 0 HH TYR A 76 21.408 4.412 11.920 1.00 12.24 H new ATOM 1243 N ASN A 77 20.693 12.097 14.372 1.00 62.54 N ATOM 1244 CA ASN A 77 22.075 12.562 14.417 1.00 33.31 C ATOM 1245 C ASN A 77 22.816 12.191 13.136 1.00 12.30 C ATOM 1246 O ASN A 77 23.413 11.118 13.040 1.00 15.44 O ATOM 1247 CB ASN A 77 22.796 11.965 15.627 1.00 11.25 C ATOM 1248 CG ASN A 77 21.843 11.618 16.755 1.00 61.21 C ATOM 1249 OD1 ASN A 77 21.362 10.489 16.850 1.00 32.30 O ATOM 1250 ND2 ASN A 77 21.566 12.590 17.616 1.00 1.00 N ATOM 0 H ASN A 77 20.000 12.810 14.600 1.00 62.54 H new ATOM 0 HA ASN A 77 22.064 13.648 14.508 1.00 33.31 H new ATOM 0 HB2 ASN A 77 23.333 11.068 15.320 1.00 11.25 H new ATOM 0 HB3 ASN A 77 23.540 12.674 15.989 1.00 11.25 H new ATOM 0 HD21 ASN A 77 20.931 12.416 18.395 1.00 1.00 H new ATOM 0 HD22 ASN A 77 21.988 13.511 17.498 1.00 1.00 H new ATOM 1257 N ILE A 78 22.774 13.086 12.155 1.00 53.31 N ATOM 1258 CA ILE A 78 23.442 12.854 10.881 1.00 45.33 C ATOM 1259 C ILE A 78 24.624 13.801 10.700 1.00 64.31 C ATOM 1260 O ILE A 78 24.454 15.018 10.622 1.00 72.14 O ATOM 1261 CB ILE A 78 22.474 13.029 9.696 1.00 34.24 C ATOM 1262 CG1 ILE A 78 21.654 11.754 9.488 1.00 74.02 C ATOM 1263 CG2 ILE A 78 23.241 13.384 8.432 1.00 43.11 C ATOM 1264 CD1 ILE A 78 20.570 11.897 8.442 1.00 61.30 C ATOM 0 H ILE A 78 22.284 13.979 12.218 1.00 53.31 H new ATOM 0 HA ILE A 78 23.801 11.825 10.897 1.00 45.33 H new ATOM 0 HB ILE A 78 21.790 13.847 9.923 1.00 34.24 H new ATOM 0 HG12 ILE A 78 22.323 10.944 9.198 1.00 74.02 H new ATOM 0 HG13 ILE A 78 21.198 11.466 10.435 1.00 74.02 H new ATOM 0 HG21 ILE A 78 22.542 13.504 7.604 1.00 43.11 H new ATOM 0 HG22 ILE A 78 23.785 14.316 8.586 1.00 43.11 H new ATOM 0 HG23 ILE A 78 23.947 12.587 8.198 1.00 43.11 H new ATOM 0 HD11 ILE A 78 20.029 10.955 8.347 1.00 61.30 H new ATOM 0 HD12 ILE A 78 19.878 12.684 8.741 1.00 61.30 H new ATOM 0 HD13 ILE A 78 21.021 12.154 7.484 1.00 61.30 H new ATOM 1276 N THR A 79 25.825 13.234 10.632 1.00 31.52 N ATOM 1277 CA THR A 79 27.036 14.026 10.460 1.00 71.23 C ATOM 1278 C THR A 79 27.453 14.080 8.995 1.00 43.14 C ATOM 1279 O THR A 79 27.928 15.108 8.512 1.00 3.23 O ATOM 1280 CB THR A 79 28.201 13.460 11.293 1.00 61.40 C ATOM 1281 OG1 THR A 79 28.279 12.040 11.125 1.00 61.31 O ATOM 1282 CG2 THR A 79 28.024 13.792 12.767 1.00 72.11 C ATOM 0 H THR A 79 25.984 12.228 10.694 1.00 31.52 H new ATOM 0 HA THR A 79 26.807 15.033 10.808 1.00 71.23 H new ATOM 0 HB THR A 79 29.126 13.918 10.942 1.00 61.40 H new ATOM 0 HG1 THR A 79 29.023 11.688 11.657 1.00 61.31 H new ATOM 0 HG21 THR A 79 28.859 13.382 13.335 1.00 72.11 H new ATOM 0 HG22 THR A 79 27.994 14.874 12.895 1.00 72.11 H new ATOM 0 HG23 THR A 79 27.092 13.358 13.128 1.00 72.11 H new ATOM 1290 N SER A 80 27.272 12.967 8.291 1.00 44.12 N ATOM 1291 CA SER A 80 27.633 12.887 6.880 1.00 4.43 C ATOM 1292 C SER A 80 26.416 13.129 5.993 1.00 12.13 C ATOM 1293 O SER A 80 25.730 12.189 5.591 1.00 12.31 O ATOM 1294 CB SER A 80 28.245 11.521 6.565 1.00 71.10 C ATOM 1295 OG SER A 80 27.972 10.589 7.597 1.00 13.54 O ATOM 0 H SER A 80 26.878 12.108 8.675 1.00 44.12 H new ATOM 0 HA SER A 80 28.370 13.663 6.675 1.00 4.43 H new ATOM 0 HB2 SER A 80 27.847 11.150 5.621 1.00 71.10 H new ATOM 0 HB3 SER A 80 29.323 11.623 6.438 1.00 71.10 H new ATOM 0 HG SER A 80 28.372 9.724 7.371 1.00 13.54 H new ATOM 1301 N VAL A 81 26.153 14.397 5.692 1.00 22.02 N ATOM 1302 CA VAL A 81 25.019 14.764 4.852 1.00 5.22 C ATOM 1303 C VAL A 81 24.788 13.729 3.757 1.00 25.34 C ATOM 1304 O VAL A 81 23.716 13.134 3.647 1.00 1.11 O ATOM 1305 CB VAL A 81 25.227 16.145 4.202 1.00 13.11 C ATOM 1306 CG1 VAL A 81 24.029 17.045 4.467 1.00 44.12 C ATOM 1307 CG2 VAL A 81 26.509 16.786 4.711 1.00 11.11 C ATOM 0 H VAL A 81 26.710 15.187 6.017 1.00 22.02 H new ATOM 0 HA VAL A 81 24.144 14.803 5.501 1.00 5.22 H new ATOM 0 HB VAL A 81 25.319 16.010 3.124 1.00 13.11 H new ATOM 0 HG11 VAL A 81 24.193 18.016 4.001 1.00 44.12 H new ATOM 0 HG12 VAL A 81 23.132 16.589 4.049 1.00 44.12 H new ATOM 0 HG13 VAL A 81 23.903 17.175 5.542 1.00 44.12 H new ATOM 0 HG21 VAL A 81 26.640 17.761 4.241 1.00 11.11 H new ATOM 0 HG22 VAL A 81 26.450 16.909 5.792 1.00 11.11 H new ATOM 0 HG23 VAL A 81 27.358 16.148 4.465 1.00 11.11 H new ATOM 1317 N PRO A 82 25.818 13.506 2.927 1.00 20.21 N ATOM 1318 CA PRO A 82 25.752 12.540 1.826 1.00 42.51 C ATOM 1319 C PRO A 82 25.712 11.099 2.321 1.00 71.35 C ATOM 1320 O PRO A 82 26.740 10.526 2.684 1.00 41.33 O ATOM 1321 CB PRO A 82 27.044 12.803 1.047 1.00 74.42 C ATOM 1322 CG PRO A 82 27.979 13.385 2.049 1.00 1.22 C ATOM 1323 CD PRO A 82 27.126 14.179 3.000 1.00 71.42 C ATOM 0 HA PRO A 82 24.847 12.661 1.231 1.00 42.51 H new ATOM 0 HB2 PRO A 82 27.443 11.883 0.621 1.00 74.42 H new ATOM 0 HB3 PRO A 82 26.874 13.490 0.218 1.00 74.42 H new ATOM 0 HG2 PRO A 82 28.524 12.601 2.575 1.00 1.22 H new ATOM 0 HG3 PRO A 82 28.721 14.021 1.567 1.00 1.22 H new ATOM 0 HD2 PRO A 82 27.530 14.163 4.012 1.00 71.42 H new ATOM 0 HD3 PRO A 82 27.057 15.225 2.701 1.00 71.42 H new ATOM 1331 N THR A 83 24.517 10.515 2.332 1.00 24.11 N ATOM 1332 CA THR A 83 24.343 9.140 2.783 1.00 60.02 C ATOM 1333 C THR A 83 23.450 8.357 1.827 1.00 42.11 C ATOM 1334 O THR A 83 22.701 8.940 1.043 1.00 11.32 O ATOM 1335 CB THR A 83 23.734 9.085 4.197 1.00 44.23 C ATOM 1336 OG1 THR A 83 24.235 10.169 4.988 1.00 74.12 O ATOM 1337 CG2 THR A 83 24.060 7.763 4.875 1.00 12.01 C ATOM 0 H THR A 83 23.656 10.973 2.034 1.00 24.11 H new ATOM 0 HA THR A 83 25.334 8.687 2.804 1.00 60.02 H new ATOM 0 HB THR A 83 22.651 9.172 4.107 1.00 44.23 H new ATOM 0 HG1 THR A 83 23.972 10.040 5.923 1.00 74.12 H new ATOM 0 HG21 THR A 83 23.620 7.747 5.872 1.00 12.01 H new ATOM 0 HG22 THR A 83 23.653 6.942 4.285 1.00 12.01 H new ATOM 0 HG23 THR A 83 25.141 7.652 4.954 1.00 12.01 H new ATOM 1345 N PHE A 84 23.534 7.033 1.897 1.00 63.31 N ATOM 1346 CA PHE A 84 22.733 6.169 1.037 1.00 45.32 C ATOM 1347 C PHE A 84 21.976 5.132 1.861 1.00 51.41 C ATOM 1348 O PHE A 84 22.576 4.244 2.466 1.00 44.13 O ATOM 1349 CB PHE A 84 23.625 5.469 0.010 1.00 60.54 C ATOM 1350 CG PHE A 84 23.724 6.202 -1.297 1.00 65.14 C ATOM 1351 CD1 PHE A 84 24.484 7.356 -1.404 1.00 24.55 C ATOM 1352 CD2 PHE A 84 23.057 5.738 -2.420 1.00 24.13 C ATOM 1353 CE1 PHE A 84 24.578 8.033 -2.605 1.00 24.31 C ATOM 1354 CE2 PHE A 84 23.148 6.410 -3.624 1.00 10.53 C ATOM 1355 CZ PHE A 84 23.908 7.560 -3.716 1.00 63.11 C ATOM 0 H PHE A 84 24.149 6.534 2.540 1.00 63.31 H new ATOM 0 HA PHE A 84 22.007 6.791 0.514 1.00 45.32 H new ATOM 0 HB2 PHE A 84 24.625 5.352 0.429 1.00 60.54 H new ATOM 0 HB3 PHE A 84 23.237 4.467 -0.173 1.00 60.54 H new ATOM 0 HD1 PHE A 84 25.009 7.731 -0.538 1.00 24.55 H new ATOM 0 HD2 PHE A 84 22.459 4.841 -2.353 1.00 24.13 H new ATOM 0 HE1 PHE A 84 25.175 8.931 -2.675 1.00 24.31 H new ATOM 0 HE2 PHE A 84 22.625 6.037 -4.492 1.00 10.53 H new ATOM 0 HZ PHE A 84 23.978 8.088 -4.655 1.00 63.11 H new ATOM 1365 N VAL A 85 20.652 5.253 1.880 1.00 22.14 N ATOM 1366 CA VAL A 85 19.811 4.327 2.629 1.00 21.32 C ATOM 1367 C VAL A 85 18.918 3.518 1.696 1.00 55.15 C ATOM 1368 O VAL A 85 18.086 4.076 0.979 1.00 34.31 O ATOM 1369 CB VAL A 85 18.929 5.070 3.650 1.00 22.33 C ATOM 1370 CG1 VAL A 85 18.279 4.085 4.610 1.00 13.44 C ATOM 1371 CG2 VAL A 85 19.748 6.104 4.408 1.00 52.23 C ATOM 0 H VAL A 85 20.139 5.983 1.385 1.00 22.14 H new ATOM 0 HA VAL A 85 20.481 3.652 3.162 1.00 21.32 H new ATOM 0 HB VAL A 85 18.138 5.591 3.110 1.00 22.33 H new ATOM 0 HG11 VAL A 85 17.660 4.628 5.324 1.00 13.44 H new ATOM 0 HG12 VAL A 85 17.658 3.386 4.049 1.00 13.44 H new ATOM 0 HG13 VAL A 85 19.053 3.534 5.145 1.00 13.44 H new ATOM 0 HG21 VAL A 85 19.109 6.620 5.125 1.00 52.23 H new ATOM 0 HG22 VAL A 85 20.561 5.607 4.938 1.00 52.23 H new ATOM 0 HG23 VAL A 85 20.162 6.827 3.705 1.00 52.23 H new ATOM 1381 N ILE A 86 19.095 2.201 1.709 1.00 11.43 N ATOM 1382 CA ILE A 86 18.303 1.316 0.865 1.00 62.43 C ATOM 1383 C ILE A 86 17.189 0.646 1.662 1.00 11.52 C ATOM 1384 O ILE A 86 17.440 0.019 2.691 1.00 74.05 O ATOM 1385 CB ILE A 86 19.178 0.228 0.214 1.00 31.20 C ATOM 1386 CG1 ILE A 86 20.552 0.796 -0.148 1.00 33.04 C ATOM 1387 CG2 ILE A 86 18.490 -0.337 -1.020 1.00 44.43 C ATOM 1388 CD1 ILE A 86 21.489 -0.227 -0.750 1.00 2.01 C ATOM 0 H ILE A 86 19.780 1.724 2.295 1.00 11.43 H new ATOM 0 HA ILE A 86 17.864 1.936 0.083 1.00 62.43 H new ATOM 0 HB ILE A 86 19.318 -0.581 0.930 1.00 31.20 H new ATOM 0 HG12 ILE A 86 20.422 1.617 -0.853 1.00 33.04 H new ATOM 0 HG13 ILE A 86 21.011 1.214 0.748 1.00 33.04 H new ATOM 0 HG21 ILE A 86 19.121 -1.104 -1.469 1.00 44.43 H new ATOM 0 HG22 ILE A 86 17.533 -0.774 -0.735 1.00 44.43 H new ATOM 0 HG23 ILE A 86 18.323 0.463 -1.742 1.00 44.43 H new ATOM 0 HD11 ILE A 86 22.443 0.246 -0.982 1.00 2.01 H new ATOM 0 HD12 ILE A 86 21.649 -1.037 -0.039 1.00 2.01 H new ATOM 0 HD13 ILE A 86 21.051 -0.628 -1.664 1.00 2.01 H new ATOM 1400 N GLU A 87 15.958 0.784 1.179 1.00 0.02 N ATOM 1401 CA GLU A 87 14.805 0.191 1.847 1.00 3.43 C ATOM 1402 C GLU A 87 14.102 -0.808 0.934 1.00 32.50 C ATOM 1403 O GLU A 87 14.470 -0.970 -0.230 1.00 20.14 O ATOM 1404 CB GLU A 87 13.823 1.282 2.281 1.00 60.42 C ATOM 1405 CG GLU A 87 13.399 2.204 1.150 1.00 61.40 C ATOM 1406 CD GLU A 87 12.342 1.583 0.257 1.00 43.53 C ATOM 1407 OE1 GLU A 87 11.592 0.712 0.744 1.00 60.35 O ATOM 1408 OE2 GLU A 87 12.266 1.969 -0.928 1.00 55.24 O ATOM 0 H GLU A 87 15.734 1.301 0.329 1.00 0.02 H new ATOM 0 HA GLU A 87 15.161 -0.339 2.730 1.00 3.43 H new ATOM 0 HB2 GLU A 87 12.937 0.812 2.707 1.00 60.42 H new ATOM 0 HB3 GLU A 87 14.280 1.877 3.072 1.00 60.42 H new ATOM 0 HG2 GLU A 87 13.015 3.134 1.569 1.00 61.40 H new ATOM 0 HG3 GLU A 87 14.271 2.461 0.549 1.00 61.40 H new ATOM 1415 N LYS A 88 13.087 -1.478 1.470 1.00 22.12 N ATOM 1416 CA LYS A 88 12.330 -2.462 0.706 1.00 61.22 C ATOM 1417 C LYS A 88 11.058 -2.864 1.445 1.00 53.30 C ATOM 1418 O LYS A 88 11.103 -3.626 2.409 1.00 32.42 O ATOM 1419 CB LYS A 88 13.189 -3.700 0.437 1.00 32.22 C ATOM 1420 CG LYS A 88 12.521 -4.718 -0.471 1.00 60.20 C ATOM 1421 CD LYS A 88 12.081 -5.951 0.301 1.00 4.32 C ATOM 1422 CE LYS A 88 10.652 -6.341 -0.040 1.00 35.51 C ATOM 1423 NZ LYS A 88 9.666 -5.672 0.853 1.00 55.00 N ATOM 0 H LYS A 88 12.770 -1.357 2.432 1.00 22.12 H new ATOM 0 HA LYS A 88 12.049 -2.009 -0.244 1.00 61.22 H new ATOM 0 HB2 LYS A 88 14.131 -3.387 -0.013 1.00 32.22 H new ATOM 0 HB3 LYS A 88 13.432 -4.177 1.387 1.00 32.22 H new ATOM 0 HG2 LYS A 88 11.657 -4.263 -0.955 1.00 60.20 H new ATOM 0 HG3 LYS A 88 13.212 -5.010 -1.262 1.00 60.20 H new ATOM 0 HD2 LYS A 88 12.750 -6.781 0.074 1.00 4.32 H new ATOM 0 HD3 LYS A 88 12.162 -5.760 1.371 1.00 4.32 H new ATOM 0 HE2 LYS A 88 10.441 -6.077 -1.076 1.00 35.51 H new ATOM 0 HE3 LYS A 88 10.541 -7.422 0.042 1.00 35.51 H new ATOM 0 HZ1 LYS A 88 9.019 -6.383 1.250 1.00 55.00 H new ATOM 0 HZ2 LYS A 88 10.168 -5.191 1.626 1.00 55.00 H new ATOM 0 HZ3 LYS A 88 9.121 -4.974 0.307 1.00 55.00 H new ATOM 1437 N GLY A 89 9.923 -2.346 0.985 1.00 13.30 N ATOM 1438 CA GLY A 89 8.654 -2.663 1.614 1.00 71.11 C ATOM 1439 C GLY A 89 8.287 -1.680 2.708 1.00 61.11 C ATOM 1440 O GLY A 89 7.132 -1.273 2.825 1.00 70.32 O ATOM 0 H GLY A 89 9.860 -1.713 0.188 1.00 13.30 H new ATOM 0 HA2 GLY A 89 7.869 -2.670 0.858 1.00 71.11 H new ATOM 0 HA3 GLY A 89 8.701 -3.668 2.034 1.00 71.11 H new ATOM 1444 N GLY A 90 9.274 -1.298 3.514 1.00 75.14 N ATOM 1445 CA GLY A 90 9.028 -0.361 4.594 1.00 31.34 C ATOM 1446 C GLY A 90 9.993 -0.542 5.749 1.00 63.10 C ATOM 1447 O GLY A 90 9.577 -0.671 6.900 1.00 73.45 O ATOM 0 H GLY A 90 10.239 -1.621 3.438 1.00 75.14 H new ATOM 0 HA2 GLY A 90 9.109 0.657 4.213 1.00 31.34 H new ATOM 0 HA3 GLY A 90 8.007 -0.486 4.954 1.00 31.34 H new ATOM 1451 N GLU A 91 11.287 -0.553 5.441 1.00 15.20 N ATOM 1452 CA GLU A 91 12.313 -0.722 6.463 1.00 70.02 C ATOM 1453 C GLU A 91 13.707 -0.711 5.841 1.00 14.21 C ATOM 1454 O GLU A 91 13.883 -0.956 4.648 1.00 44.44 O ATOM 1455 CB GLU A 91 12.094 -2.030 7.226 1.00 14.11 C ATOM 1456 CG GLU A 91 11.581 -1.830 8.642 1.00 12.53 C ATOM 1457 CD GLU A 91 10.517 -2.839 9.026 1.00 74.42 C ATOM 1458 OE1 GLU A 91 9.438 -2.416 9.492 1.00 3.23 O ATOM 1459 OE2 GLU A 91 10.762 -4.052 8.860 1.00 72.41 O ATOM 0 H GLU A 91 11.649 -0.447 4.493 1.00 15.20 H new ATOM 0 HA GLU A 91 12.237 0.113 7.159 1.00 70.02 H new ATOM 0 HB2 GLU A 91 11.384 -2.648 6.675 1.00 14.11 H new ATOM 0 HB3 GLU A 91 13.034 -2.581 7.263 1.00 14.11 H new ATOM 0 HG2 GLU A 91 12.415 -1.904 9.340 1.00 12.53 H new ATOM 0 HG3 GLU A 91 11.173 -0.824 8.738 1.00 12.53 H new ATOM 1466 N PRO A 92 14.721 -0.419 6.669 1.00 71.31 N ATOM 1467 CA PRO A 92 16.117 -0.369 6.224 1.00 54.24 C ATOM 1468 C PRO A 92 16.665 -1.749 5.879 1.00 65.10 C ATOM 1469 O PRO A 92 16.572 -2.683 6.677 1.00 3.53 O ATOM 1470 CB PRO A 92 16.854 0.213 7.432 1.00 12.42 C ATOM 1471 CG PRO A 92 16.002 -0.141 8.602 1.00 11.40 C ATOM 1472 CD PRO A 92 14.583 -0.117 8.104 1.00 64.14 C ATOM 0 HA PRO A 92 16.234 0.218 5.313 1.00 54.24 H new ATOM 0 HB2 PRO A 92 17.854 -0.211 7.528 1.00 12.42 H new ATOM 0 HB3 PRO A 92 16.973 1.293 7.341 1.00 12.42 H new ATOM 0 HG2 PRO A 92 16.262 -1.125 8.991 1.00 11.40 H new ATOM 0 HG3 PRO A 92 16.142 0.570 9.416 1.00 11.40 H new ATOM 0 HD2 PRO A 92 13.966 -0.857 8.613 1.00 64.14 H new ATOM 0 HD3 PRO A 92 14.116 0.854 8.267 1.00 64.14 H new ATOM 1480 N LEU A 93 17.238 -1.872 4.687 1.00 71.14 N ATOM 1481 CA LEU A 93 17.803 -3.139 4.236 1.00 30.43 C ATOM 1482 C LEU A 93 19.320 -3.045 4.109 1.00 0.31 C ATOM 1483 O LEU A 93 20.039 -3.996 4.411 1.00 22.10 O ATOM 1484 CB LEU A 93 17.192 -3.545 2.894 1.00 55.30 C ATOM 1485 CG LEU A 93 17.534 -4.950 2.397 1.00 11.24 C ATOM 1486 CD1 LEU A 93 16.818 -6.000 3.232 1.00 24.25 C ATOM 1487 CD2 LEU A 93 17.173 -5.098 0.927 1.00 71.34 C ATOM 0 H LEU A 93 17.324 -1.109 4.015 1.00 71.14 H new ATOM 0 HA LEU A 93 17.566 -3.899 4.981 1.00 30.43 H new ATOM 0 HB2 LEU A 93 16.108 -3.463 2.972 1.00 55.30 H new ATOM 0 HB3 LEU A 93 17.513 -2.827 2.140 1.00 55.30 H new ATOM 0 HG LEU A 93 18.608 -5.101 2.504 1.00 11.24 H new ATOM 0 HD11 LEU A 93 17.073 -6.994 2.864 1.00 24.25 H new ATOM 0 HD12 LEU A 93 17.126 -5.909 4.274 1.00 24.25 H new ATOM 0 HD13 LEU A 93 15.741 -5.851 3.158 1.00 24.25 H new ATOM 0 HD21 LEU A 93 17.423 -6.104 0.590 1.00 71.34 H new ATOM 0 HD22 LEU A 93 16.105 -4.927 0.796 1.00 71.34 H new ATOM 0 HD23 LEU A 93 17.732 -4.369 0.340 1.00 71.34 H new ATOM 1499 N GLY A 94 19.800 -1.888 3.662 1.00 64.44 N ATOM 1500 CA GLY A 94 21.229 -1.690 3.504 1.00 3.35 C ATOM 1501 C GLY A 94 21.699 -0.373 4.090 1.00 25.01 C ATOM 1502 O GLY A 94 20.931 0.332 4.742 1.00 11.54 O ATOM 0 H GLY A 94 19.225 -1.085 3.407 1.00 64.44 H new ATOM 0 HA2 GLY A 94 21.762 -2.510 3.986 1.00 3.35 H new ATOM 0 HA3 GLY A 94 21.483 -1.724 2.444 1.00 3.35 H new ATOM 1506 N GLU A 95 22.966 -0.042 3.858 1.00 21.51 N ATOM 1507 CA GLU A 95 23.537 1.198 4.370 1.00 23.53 C ATOM 1508 C GLU A 95 24.887 1.484 3.719 1.00 5.24 C ATOM 1509 O GLU A 95 25.738 0.601 3.613 1.00 22.31 O ATOM 1510 CB GLU A 95 23.697 1.122 5.890 1.00 24.31 C ATOM 1511 CG GLU A 95 24.838 0.223 6.338 1.00 52.10 C ATOM 1512 CD GLU A 95 24.526 -0.518 7.624 1.00 42.22 C ATOM 1513 OE1 GLU A 95 23.389 -1.017 7.760 1.00 43.23 O ATOM 1514 OE2 GLU A 95 25.418 -0.599 8.494 1.00 42.52 O ATOM 0 H GLU A 95 23.616 -0.615 3.319 1.00 21.51 H new ATOM 0 HA GLU A 95 22.855 2.012 4.124 1.00 23.53 H new ATOM 0 HB2 GLU A 95 23.862 2.126 6.280 1.00 24.31 H new ATOM 0 HB3 GLU A 95 22.767 0.759 6.327 1.00 24.31 H new ATOM 0 HG2 GLU A 95 25.057 -0.499 5.551 1.00 52.10 H new ATOM 0 HG3 GLU A 95 25.736 0.825 6.478 1.00 52.10 H new ATOM 1521 N VAL A 96 25.076 2.726 3.284 1.00 23.03 N ATOM 1522 CA VAL A 96 26.322 3.131 2.644 1.00 22.42 C ATOM 1523 C VAL A 96 26.663 4.580 2.971 1.00 13.23 C ATOM 1524 O VAL A 96 25.775 5.422 3.109 1.00 43.40 O ATOM 1525 CB VAL A 96 26.247 2.965 1.115 1.00 51.13 C ATOM 1526 CG1 VAL A 96 27.541 3.427 0.463 1.00 4.01 C ATOM 1527 CG2 VAL A 96 25.943 1.520 0.750 1.00 71.10 C ATOM 0 H VAL A 96 24.382 3.469 3.363 1.00 23.03 H new ATOM 0 HA VAL A 96 27.104 2.480 3.035 1.00 22.42 H new ATOM 0 HB VAL A 96 25.436 3.589 0.739 1.00 51.13 H new ATOM 0 HG11 VAL A 96 27.469 3.302 -0.617 1.00 4.01 H new ATOM 0 HG12 VAL A 96 27.711 4.478 0.696 1.00 4.01 H new ATOM 0 HG13 VAL A 96 28.372 2.832 0.842 1.00 4.01 H new ATOM 0 HG21 VAL A 96 25.894 1.421 -0.334 1.00 71.10 H new ATOM 0 HG22 VAL A 96 26.730 0.873 1.138 1.00 71.10 H new ATOM 0 HG23 VAL A 96 24.987 1.228 1.185 1.00 71.10 H new ATOM 1537 N LYS A 97 27.955 4.865 3.094 1.00 14.34 N ATOM 1538 CA LYS A 97 28.415 6.214 3.404 1.00 71.22 C ATOM 1539 C LYS A 97 29.787 6.474 2.791 1.00 3.21 C ATOM 1540 O LYS A 97 30.679 5.630 2.861 1.00 63.11 O ATOM 1541 CB LYS A 97 28.474 6.420 4.919 1.00 33.21 C ATOM 1542 CG LYS A 97 29.694 5.792 5.571 1.00 14.52 C ATOM 1543 CD LYS A 97 29.439 5.467 7.033 1.00 31.04 C ATOM 1544 CE LYS A 97 29.085 6.714 7.829 1.00 52.34 C ATOM 1545 NZ LYS A 97 27.616 6.961 7.848 1.00 4.25 N ATOM 0 H LYS A 97 28.702 4.180 2.984 1.00 14.34 H new ATOM 0 HA LYS A 97 27.705 6.921 2.975 1.00 71.22 H new ATOM 0 HB2 LYS A 97 28.468 7.489 5.132 1.00 33.21 H new ATOM 0 HB3 LYS A 97 27.575 6.000 5.370 1.00 33.21 H new ATOM 0 HG2 LYS A 97 29.965 4.881 5.037 1.00 14.52 H new ATOM 0 HG3 LYS A 97 30.541 6.473 5.491 1.00 14.52 H new ATOM 0 HD2 LYS A 97 28.628 4.743 7.109 1.00 31.04 H new ATOM 0 HD3 LYS A 97 30.325 4.999 7.463 1.00 31.04 H new ATOM 0 HE2 LYS A 97 29.449 6.608 8.851 1.00 52.34 H new ATOM 0 HE3 LYS A 97 29.593 7.577 7.398 1.00 52.34 H new ATOM 0 HZ1 LYS A 97 27.349 7.395 8.755 1.00 4.25 H new ATOM 0 HZ2 LYS A 97 27.362 7.602 7.069 1.00 4.25 H new ATOM 0 HZ3 LYS A 97 27.111 6.059 7.734 1.00 4.25 H new ATOM 1559 N GLY A 98 29.949 7.650 2.192 1.00 65.05 N ATOM 1560 CA GLY A 98 31.216 8.001 1.577 1.00 64.42 C ATOM 1561 C GLY A 98 31.144 8.009 0.063 1.00 55.32 C ATOM 1562 O GLY A 98 30.194 7.505 -0.537 1.00 50.12 O ATOM 0 H GLY A 98 29.226 8.366 2.122 1.00 65.05 H new ATOM 0 HA2 GLY A 98 31.526 8.985 1.928 1.00 64.42 H new ATOM 0 HA3 GLY A 98 31.980 7.293 1.897 1.00 64.42 H new ATOM 1566 N PRO A 99 32.165 8.595 -0.579 1.00 50.24 N ATOM 1567 CA PRO A 99 32.235 8.683 -2.041 1.00 63.30 C ATOM 1568 C PRO A 99 32.476 7.325 -2.692 1.00 45.12 C ATOM 1569 O PRO A 99 33.620 6.929 -2.918 1.00 70.13 O ATOM 1570 CB PRO A 99 33.428 9.612 -2.284 1.00 35.42 C ATOM 1571 CG PRO A 99 34.278 9.462 -1.070 1.00 32.33 C ATOM 1572 CD PRO A 99 33.330 9.217 0.072 1.00 62.22 C ATOM 0 HA PRO A 99 31.302 9.044 -2.473 1.00 63.30 H new ATOM 0 HB2 PRO A 99 33.972 9.330 -3.186 1.00 35.42 H new ATOM 0 HB3 PRO A 99 33.105 10.645 -2.416 1.00 35.42 H new ATOM 0 HG2 PRO A 99 34.976 8.632 -1.182 1.00 32.33 H new ATOM 0 HG3 PRO A 99 34.873 10.358 -0.897 1.00 32.33 H new ATOM 0 HD2 PRO A 99 33.768 8.561 0.824 1.00 62.22 H new ATOM 0 HD3 PRO A 99 33.060 10.145 0.577 1.00 62.22 H new ATOM 1580 N ASP A 100 31.393 6.617 -2.992 1.00 1.14 N ATOM 1581 CA ASP A 100 31.487 5.304 -3.619 1.00 21.24 C ATOM 1582 C ASP A 100 30.429 5.144 -4.706 1.00 32.44 C ATOM 1583 O ASP A 100 29.749 4.119 -4.777 1.00 43.25 O ATOM 1584 CB ASP A 100 31.330 4.202 -2.570 1.00 33.23 C ATOM 1585 CG ASP A 100 29.926 4.140 -2.001 1.00 12.21 C ATOM 1586 OD1 ASP A 100 29.432 5.184 -1.525 1.00 13.10 O ATOM 1587 OD2 ASP A 100 29.321 3.049 -2.032 1.00 73.55 O ATOM 0 H ASP A 100 30.439 6.930 -2.811 1.00 1.14 H new ATOM 0 HA ASP A 100 32.471 5.218 -4.080 1.00 21.24 H new ATOM 0 HB2 ASP A 100 31.580 3.240 -3.017 1.00 33.23 H new ATOM 0 HB3 ASP A 100 32.040 4.371 -1.760 1.00 33.23 H new ATOM 1592 N ILE A 101 30.294 6.162 -5.548 1.00 3.31 N ATOM 1593 CA ILE A 101 29.319 6.134 -6.631 1.00 31.14 C ATOM 1594 C ILE A 101 29.566 4.952 -7.562 1.00 50.43 C ATOM 1595 O ILE A 101 28.636 4.424 -8.172 1.00 12.12 O ATOM 1596 CB ILE A 101 29.351 7.436 -7.452 1.00 3.41 C ATOM 1597 CG1 ILE A 101 28.724 8.583 -6.656 1.00 22.21 C ATOM 1598 CG2 ILE A 101 28.627 7.246 -8.776 1.00 62.32 C ATOM 1599 CD1 ILE A 101 27.255 8.378 -6.357 1.00 45.54 C ATOM 0 H ILE A 101 30.848 7.017 -5.501 1.00 3.31 H new ATOM 0 HA ILE A 101 28.337 6.031 -6.169 1.00 31.14 H new ATOM 0 HB ILE A 101 30.390 7.690 -7.662 1.00 3.41 H new ATOM 0 HG12 ILE A 101 29.265 8.701 -5.717 1.00 22.21 H new ATOM 0 HG13 ILE A 101 28.847 9.511 -7.214 1.00 22.21 H new ATOM 0 HG21 ILE A 101 28.659 8.175 -9.345 1.00 62.32 H new ATOM 0 HG22 ILE A 101 29.114 6.455 -9.347 1.00 62.32 H new ATOM 0 HG23 ILE A 101 27.589 6.971 -8.587 1.00 62.32 H new ATOM 0 HD11 ILE A 101 26.877 9.229 -5.791 1.00 45.54 H new ATOM 0 HD12 ILE A 101 26.702 8.290 -7.292 1.00 45.54 H new ATOM 0 HD13 ILE A 101 27.126 7.467 -5.772 1.00 45.54 H new ATOM 1611 N ASP A 102 30.825 4.542 -7.666 1.00 70.55 N ATOM 1612 CA ASP A 102 31.195 3.420 -8.522 1.00 31.23 C ATOM 1613 C ASP A 102 30.888 2.091 -7.838 1.00 71.02 C ATOM 1614 O ASP A 102 30.327 1.181 -8.449 1.00 65.23 O ATOM 1615 CB ASP A 102 32.680 3.492 -8.880 1.00 1.01 C ATOM 1616 CG ASP A 102 32.908 3.697 -10.365 1.00 3.25 C ATOM 1617 OD1 ASP A 102 33.069 4.862 -10.785 1.00 41.30 O ATOM 1618 OD2 ASP A 102 32.927 2.693 -11.106 1.00 21.31 O ATOM 0 H ASP A 102 31.607 4.969 -7.169 1.00 70.55 H new ATOM 0 HA ASP A 102 30.605 3.483 -9.437 1.00 31.23 H new ATOM 0 HB2 ASP A 102 33.145 4.309 -8.328 1.00 1.01 H new ATOM 0 HB3 ASP A 102 33.172 2.572 -8.563 1.00 1.01 H new ATOM 1623 N LYS A 103 31.259 1.986 -6.567 1.00 25.31 N ATOM 1624 CA LYS A 103 31.024 0.769 -5.799 1.00 23.22 C ATOM 1625 C LYS A 103 29.541 0.601 -5.486 1.00 72.12 C ATOM 1626 O LYS A 103 29.087 -0.494 -5.150 1.00 12.43 O ATOM 1627 CB LYS A 103 31.830 0.798 -4.498 1.00 42.42 C ATOM 1628 CG LYS A 103 32.300 -0.572 -4.042 1.00 73.22 C ATOM 1629 CD LYS A 103 33.300 -0.469 -2.903 1.00 41.32 C ATOM 1630 CE LYS A 103 34.078 -1.763 -2.725 1.00 63.44 C ATOM 1631 NZ LYS A 103 35.226 -1.597 -1.791 1.00 51.12 N ATOM 0 H LYS A 103 31.724 2.730 -6.046 1.00 25.31 H new ATOM 0 HA LYS A 103 31.349 -0.079 -6.402 1.00 23.22 H new ATOM 0 HB2 LYS A 103 32.698 1.444 -4.632 1.00 42.42 H new ATOM 0 HB3 LYS A 103 31.220 1.243 -3.712 1.00 42.42 H new ATOM 0 HG2 LYS A 103 31.442 -1.164 -3.722 1.00 73.22 H new ATOM 0 HG3 LYS A 103 32.755 -1.099 -4.880 1.00 73.22 H new ATOM 0 HD2 LYS A 103 33.993 0.349 -3.099 1.00 41.32 H new ATOM 0 HD3 LYS A 103 32.776 -0.228 -1.978 1.00 41.32 H new ATOM 0 HE2 LYS A 103 33.412 -2.538 -2.347 1.00 63.44 H new ATOM 0 HE3 LYS A 103 34.444 -2.102 -3.694 1.00 63.44 H new ATOM 0 HZ1 LYS A 103 35.730 -2.502 -1.697 1.00 51.12 H new ATOM 0 HZ2 LYS A 103 35.876 -0.876 -2.164 1.00 51.12 H new ATOM 0 HZ3 LYS A 103 34.875 -1.298 -0.859 1.00 51.12 H new ATOM 1645 N LEU A 104 28.790 1.691 -5.601 1.00 32.42 N ATOM 1646 CA LEU A 104 27.356 1.664 -5.332 1.00 22.51 C ATOM 1647 C LEU A 104 26.669 0.576 -6.151 1.00 20.52 C ATOM 1648 O LEU A 104 25.732 -0.070 -5.681 1.00 71.12 O ATOM 1649 CB LEU A 104 26.733 3.025 -5.646 1.00 33.41 C ATOM 1650 CG LEU A 104 25.301 3.236 -5.154 1.00 15.43 C ATOM 1651 CD1 LEU A 104 25.298 3.928 -3.799 1.00 63.31 C ATOM 1652 CD2 LEU A 104 24.502 4.043 -6.167 1.00 60.14 C ATOM 0 H LEU A 104 29.150 2.604 -5.879 1.00 32.42 H new ATOM 0 HA LEU A 104 27.213 1.441 -4.275 1.00 22.51 H new ATOM 0 HB2 LEU A 104 27.364 3.800 -5.211 1.00 33.41 H new ATOM 0 HB3 LEU A 104 26.750 3.170 -6.726 1.00 33.41 H new ATOM 0 HG LEU A 104 24.829 2.260 -5.042 1.00 15.43 H new ATOM 0 HD11 LEU A 104 24.270 4.070 -3.465 1.00 63.31 H new ATOM 0 HD12 LEU A 104 25.833 3.313 -3.075 1.00 63.31 H new ATOM 0 HD13 LEU A 104 25.789 4.898 -3.885 1.00 63.31 H new ATOM 0 HD21 LEU A 104 23.485 4.183 -5.800 1.00 60.14 H new ATOM 0 HD22 LEU A 104 24.973 5.015 -6.311 1.00 60.14 H new ATOM 0 HD23 LEU A 104 24.474 3.509 -7.117 1.00 60.14 H new ATOM 1664 N ARG A 105 27.143 0.377 -7.377 1.00 33.45 N ATOM 1665 CA ARG A 105 26.575 -0.634 -8.260 1.00 75.04 C ATOM 1666 C ARG A 105 26.679 -2.023 -7.637 1.00 5.32 C ATOM 1667 O ARG A 105 25.820 -2.876 -7.853 1.00 30.45 O ATOM 1668 CB ARG A 105 27.286 -0.616 -9.614 1.00 63.24 C ATOM 1669 CG ARG A 105 28.678 -1.226 -9.579 1.00 3.41 C ATOM 1670 CD ARG A 105 29.491 -0.830 -10.802 1.00 72.40 C ATOM 1671 NE ARG A 105 30.713 -1.621 -10.926 1.00 54.22 N ATOM 1672 CZ ARG A 105 30.725 -2.908 -11.254 1.00 30.01 C ATOM 1673 NH1 ARG A 105 29.587 -3.547 -11.490 1.00 1.55 N ATOM 1674 NH2 ARG A 105 31.877 -3.559 -11.347 1.00 64.11 N ATOM 0 H ARG A 105 27.918 0.902 -7.781 1.00 33.45 H new ATOM 0 HA ARG A 105 25.521 -0.400 -8.407 1.00 75.04 H new ATOM 0 HB2 ARG A 105 26.680 -1.157 -10.341 1.00 63.24 H new ATOM 0 HB3 ARG A 105 27.359 0.414 -9.963 1.00 63.24 H new ATOM 0 HG2 ARG A 105 29.196 -0.902 -8.676 1.00 3.41 H new ATOM 0 HG3 ARG A 105 28.599 -2.312 -9.529 1.00 3.41 H new ATOM 0 HD2 ARG A 105 28.884 -0.958 -11.698 1.00 72.40 H new ATOM 0 HD3 ARG A 105 29.748 0.227 -10.740 1.00 72.40 H new ATOM 0 HE ARG A 105 31.606 -1.160 -10.751 1.00 54.22 H new ATOM 0 HH11 ARG A 105 28.699 -3.050 -11.420 1.00 1.55 H new ATOM 0 HH12 ARG A 105 29.600 -4.535 -11.742 1.00 1.55 H new ATOM 0 HH21 ARG A 105 32.754 -3.071 -11.167 1.00 64.11 H new ATOM 0 HH22 ARG A 105 31.885 -4.547 -11.599 1.00 64.11 H new ATOM 1688 N GLU A 106 27.739 -2.240 -6.864 1.00 32.24 N ATOM 1689 CA GLU A 106 27.956 -3.526 -6.210 1.00 51.44 C ATOM 1690 C GLU A 106 27.307 -3.551 -4.830 1.00 13.24 C ATOM 1691 O GLU A 106 26.689 -4.542 -4.439 1.00 11.13 O ATOM 1692 CB GLU A 106 29.454 -3.814 -6.087 1.00 54.32 C ATOM 1693 CG GLU A 106 30.259 -3.380 -7.300 1.00 52.54 C ATOM 1694 CD GLU A 106 31.525 -4.193 -7.482 1.00 22.51 C ATOM 1695 OE1 GLU A 106 32.617 -3.588 -7.531 1.00 74.34 O ATOM 1696 OE2 GLU A 106 31.425 -5.435 -7.575 1.00 3.45 O ATOM 0 H GLU A 106 28.460 -1.543 -6.675 1.00 32.24 H new ATOM 0 HA GLU A 106 27.494 -4.299 -6.823 1.00 51.44 H new ATOM 0 HB2 GLU A 106 29.842 -3.306 -5.204 1.00 54.32 H new ATOM 0 HB3 GLU A 106 29.598 -4.883 -5.929 1.00 54.32 H new ATOM 0 HG2 GLU A 106 29.641 -3.472 -8.193 1.00 52.54 H new ATOM 0 HG3 GLU A 106 30.520 -2.326 -7.200 1.00 52.54 H new ATOM 1703 N THR A 107 27.452 -2.453 -4.094 1.00 33.12 N ATOM 1704 CA THR A 107 26.882 -2.349 -2.756 1.00 50.44 C ATOM 1705 C THR A 107 25.363 -2.476 -2.794 1.00 64.32 C ATOM 1706 O THR A 107 24.753 -3.022 -1.874 1.00 12.10 O ATOM 1707 CB THR A 107 27.257 -1.012 -2.089 1.00 31.12 C ATOM 1708 OG1 THR A 107 28.586 -0.633 -2.464 1.00 30.13 O ATOM 1709 CG2 THR A 107 27.163 -1.118 -0.574 1.00 73.53 C ATOM 0 H THR A 107 27.959 -1.623 -4.402 1.00 33.12 H new ATOM 0 HA THR A 107 27.298 -3.169 -2.170 1.00 50.44 H new ATOM 0 HB THR A 107 26.553 -0.252 -2.429 1.00 31.12 H new ATOM 0 HG1 THR A 107 28.816 0.219 -2.037 1.00 30.13 H new ATOM 0 HG21 THR A 107 27.432 -0.162 -0.125 1.00 73.53 H new ATOM 0 HG22 THR A 107 26.143 -1.378 -0.290 1.00 73.53 H new ATOM 0 HG23 THR A 107 27.846 -1.890 -0.220 1.00 73.53 H new ATOM 1717 N LEU A 108 24.758 -1.971 -3.863 1.00 44.05 N ATOM 1718 CA LEU A 108 23.309 -2.029 -4.022 1.00 24.33 C ATOM 1719 C LEU A 108 22.882 -3.358 -4.636 1.00 72.32 C ATOM 1720 O LEU A 108 21.746 -3.798 -4.459 1.00 73.43 O ATOM 1721 CB LEU A 108 22.825 -0.871 -4.896 1.00 10.05 C ATOM 1722 CG LEU A 108 22.617 -1.189 -6.377 1.00 35.14 C ATOM 1723 CD1 LEU A 108 21.205 -1.700 -6.619 1.00 71.03 C ATOM 1724 CD2 LEU A 108 22.895 0.039 -7.230 1.00 42.52 C ATOM 0 H LEU A 108 25.248 -1.516 -4.633 1.00 44.05 H new ATOM 0 HA LEU A 108 22.856 -1.944 -3.034 1.00 24.33 H new ATOM 0 HB2 LEU A 108 21.883 -0.503 -4.488 1.00 10.05 H new ATOM 0 HB3 LEU A 108 23.546 -0.057 -4.818 1.00 10.05 H new ATOM 0 HG LEU A 108 23.319 -1.972 -6.663 1.00 35.14 H new ATOM 0 HD11 LEU A 108 21.075 -1.921 -7.678 1.00 71.03 H new ATOM 0 HD12 LEU A 108 21.041 -2.606 -6.036 1.00 71.03 H new ATOM 0 HD13 LEU A 108 20.486 -0.939 -6.316 1.00 71.03 H new ATOM 0 HD21 LEU A 108 22.742 -0.206 -8.281 1.00 42.52 H new ATOM 0 HD22 LEU A 108 22.217 0.843 -6.942 1.00 42.52 H new ATOM 0 HD23 LEU A 108 23.925 0.361 -7.079 1.00 42.52 H new ATOM 1736 N ASP A 109 23.800 -3.993 -5.357 1.00 34.44 N ATOM 1737 CA ASP A 109 23.519 -5.274 -5.995 1.00 31.32 C ATOM 1738 C ASP A 109 23.603 -6.414 -4.985 1.00 34.52 C ATOM 1739 O ASP A 109 22.712 -7.260 -4.915 1.00 33.40 O ATOM 1740 CB ASP A 109 24.498 -5.521 -7.144 1.00 31.24 C ATOM 1741 CG ASP A 109 24.684 -6.997 -7.439 1.00 13.40 C ATOM 1742 OD1 ASP A 109 23.666 -7.708 -7.573 1.00 52.12 O ATOM 1743 OD2 ASP A 109 25.847 -7.440 -7.537 1.00 11.33 O ATOM 0 H ASP A 109 24.745 -3.642 -5.514 1.00 34.44 H new ATOM 0 HA ASP A 109 22.505 -5.239 -6.393 1.00 31.32 H new ATOM 0 HB2 ASP A 109 24.136 -5.017 -8.040 1.00 31.24 H new ATOM 0 HB3 ASP A 109 25.463 -5.078 -6.897 1.00 31.24 H new ATOM 1748 N GLU A 110 24.679 -6.430 -4.205 1.00 65.34 N ATOM 1749 CA GLU A 110 24.879 -7.468 -3.201 1.00 25.21 C ATOM 1750 C GLU A 110 23.681 -7.552 -2.260 1.00 24.34 C ATOM 1751 O GLU A 110 23.434 -8.589 -1.642 1.00 4.14 O ATOM 1752 CB GLU A 110 26.154 -7.194 -2.399 1.00 73.32 C ATOM 1753 CG GLU A 110 27.403 -7.090 -3.258 1.00 54.02 C ATOM 1754 CD GLU A 110 28.154 -8.403 -3.357 1.00 21.30 C ATOM 1755 OE1 GLU A 110 27.660 -9.318 -4.049 1.00 32.45 O ATOM 1756 OE2 GLU A 110 29.236 -8.516 -2.743 1.00 74.42 O ATOM 0 H GLU A 110 25.425 -5.736 -4.249 1.00 65.34 H new ATOM 0 HA GLU A 110 24.981 -8.423 -3.717 1.00 25.21 H new ATOM 0 HB2 GLU A 110 26.029 -6.266 -1.840 1.00 73.32 H new ATOM 0 HB3 GLU A 110 26.291 -7.991 -1.668 1.00 73.32 H new ATOM 0 HG2 GLU A 110 27.125 -6.759 -4.258 1.00 54.02 H new ATOM 0 HG3 GLU A 110 28.063 -6.329 -2.842 1.00 54.02 H new ATOM 1763 N LEU A 111 22.941 -6.455 -2.155 1.00 13.40 N ATOM 1764 CA LEU A 111 21.768 -6.403 -1.289 1.00 0.53 C ATOM 1765 C LEU A 111 20.491 -6.650 -2.085 1.00 41.05 C ATOM 1766 O LEU A 111 19.672 -7.493 -1.719 1.00 75.52 O ATOM 1767 CB LEU A 111 21.689 -5.047 -0.585 1.00 41.41 C ATOM 1768 CG LEU A 111 20.326 -4.671 -0.002 1.00 23.53 C ATOM 1769 CD1 LEU A 111 20.497 -3.844 1.263 1.00 55.44 C ATOM 1770 CD2 LEU A 111 19.496 -3.915 -1.029 1.00 23.22 C ATOM 0 H LEU A 111 23.132 -5.589 -2.659 1.00 13.40 H new ATOM 0 HA LEU A 111 21.865 -7.189 -0.541 1.00 0.53 H new ATOM 0 HB2 LEU A 111 22.422 -5.036 0.221 1.00 41.41 H new ATOM 0 HB3 LEU A 111 21.984 -4.274 -1.295 1.00 41.41 H new ATOM 0 HG LEU A 111 19.797 -5.588 0.257 1.00 23.53 H new ATOM 0 HD11 LEU A 111 19.517 -3.586 1.664 1.00 55.44 H new ATOM 0 HD12 LEU A 111 21.051 -4.421 2.003 1.00 55.44 H new ATOM 0 HD13 LEU A 111 21.046 -2.932 1.030 1.00 55.44 H new ATOM 0 HD21 LEU A 111 18.530 -3.656 -0.596 1.00 23.22 H new ATOM 0 HD22 LEU A 111 20.019 -3.004 -1.320 1.00 23.22 H new ATOM 0 HD23 LEU A 111 19.344 -4.543 -1.907 1.00 23.22 H new ATOM 1782 N LEU A 112 20.329 -5.911 -3.178 1.00 30.25 N ATOM 1783 CA LEU A 112 19.152 -6.052 -4.029 1.00 4.34 C ATOM 1784 C LEU A 112 19.041 -7.472 -4.574 1.00 44.21 C ATOM 1785 O LEU A 112 17.966 -7.907 -4.986 1.00 45.31 O ATOM 1786 CB LEU A 112 19.213 -5.052 -5.185 1.00 71.30 C ATOM 1787 CG LEU A 112 17.914 -4.851 -5.967 1.00 64.20 C ATOM 1788 CD1 LEU A 112 16.783 -4.457 -5.031 1.00 11.15 C ATOM 1789 CD2 LEU A 112 18.102 -3.800 -7.052 1.00 22.44 C ATOM 0 H LEU A 112 20.997 -5.209 -3.495 1.00 30.25 H new ATOM 0 HA LEU A 112 18.269 -5.846 -3.424 1.00 4.34 H new ATOM 0 HB2 LEU A 112 19.528 -4.087 -4.788 1.00 71.30 H new ATOM 0 HB3 LEU A 112 19.986 -5.378 -5.881 1.00 71.30 H new ATOM 0 HG LEU A 112 17.650 -5.795 -6.445 1.00 64.20 H new ATOM 0 HD11 LEU A 112 15.867 -4.318 -5.605 1.00 11.15 H new ATOM 0 HD12 LEU A 112 16.632 -5.243 -4.291 1.00 11.15 H new ATOM 0 HD13 LEU A 112 17.038 -3.526 -4.524 1.00 11.15 H new ATOM 0 HD21 LEU A 112 17.168 -3.670 -7.598 1.00 22.44 H new ATOM 0 HD22 LEU A 112 18.390 -2.853 -6.595 1.00 22.44 H new ATOM 0 HD23 LEU A 112 18.883 -4.123 -7.740 1.00 22.44 H new ATOM 1801 N ALA A 113 20.159 -8.190 -4.571 1.00 64.34 N ATOM 1802 CA ALA A 113 20.187 -9.563 -5.062 1.00 13.32 C ATOM 1803 C ALA A 113 19.460 -10.502 -4.105 1.00 62.12 C ATOM 1804 O ALA A 113 18.912 -11.524 -4.520 1.00 4.40 O ATOM 1805 CB ALA A 113 21.623 -10.022 -5.266 1.00 51.42 C ATOM 0 H ALA A 113 21.057 -7.844 -4.234 1.00 64.34 H new ATOM 0 HA ALA A 113 19.669 -9.591 -6.021 1.00 13.32 H new ATOM 0 HB1 ALA A 113 21.628 -11.048 -5.633 1.00 51.42 H new ATOM 0 HB2 ALA A 113 22.112 -9.374 -5.994 1.00 51.42 H new ATOM 0 HB3 ALA A 113 22.159 -9.973 -4.318 1.00 51.42 H new ATOM 1811 N ARG A 114 19.460 -10.150 -2.824 1.00 21.13 N ATOM 1812 CA ARG A 114 18.802 -10.963 -1.808 1.00 63.31 C ATOM 1813 C ARG A 114 17.341 -11.210 -2.172 1.00 21.33 C ATOM 1814 O ARG A 114 16.907 -12.356 -2.299 1.00 40.13 O ATOM 1815 CB ARG A 114 18.891 -10.281 -0.442 1.00 14.32 C ATOM 1816 CG ARG A 114 18.379 -11.140 0.703 1.00 72.24 C ATOM 1817 CD ARG A 114 18.658 -10.496 2.051 1.00 1.23 C ATOM 1818 NE ARG A 114 17.438 -10.309 2.832 1.00 30.30 N ATOM 1819 CZ ARG A 114 17.426 -9.848 4.078 1.00 52.04 C ATOM 1820 NH1 ARG A 114 18.562 -9.527 4.680 1.00 23.35 N ATOM 1821 NH2 ARG A 114 16.275 -9.706 4.723 1.00 51.04 N ATOM 0 H ARG A 114 19.908 -9.307 -2.465 1.00 21.13 H new ATOM 0 HA ARG A 114 19.314 -11.924 -1.760 1.00 63.31 H new ATOM 0 HB2 ARG A 114 19.929 -10.012 -0.247 1.00 14.32 H new ATOM 0 HB3 ARG A 114 18.321 -9.352 -0.471 1.00 14.32 H new ATOM 0 HG2 ARG A 114 17.307 -11.298 0.589 1.00 72.24 H new ATOM 0 HG3 ARG A 114 18.852 -12.121 0.663 1.00 72.24 H new ATOM 0 HD2 ARG A 114 19.356 -11.118 2.612 1.00 1.23 H new ATOM 0 HD3 ARG A 114 19.142 -9.531 1.899 1.00 1.23 H new ATOM 0 HE ARG A 114 16.546 -10.545 2.397 1.00 30.30 H new ATOM 0 HH11 ARG A 114 19.448 -9.634 4.187 1.00 23.35 H new ATOM 0 HH12 ARG A 114 18.550 -9.173 5.637 1.00 23.35 H new ATOM 0 HH21 ARG A 114 15.399 -9.951 4.262 1.00 51.04 H new ATOM 0 HH22 ARG A 114 16.267 -9.352 5.680 1.00 51.04 H new ATOM 1835 N LEU A 115 16.587 -10.129 -2.337 1.00 22.13 N ATOM 1836 CA LEU A 115 15.174 -10.228 -2.685 1.00 41.34 C ATOM 1837 C LEU A 115 14.995 -10.869 -4.058 1.00 22.24 C ATOM 1838 O LEU A 115 14.347 -11.907 -4.188 1.00 23.12 O ATOM 1839 CB LEU A 115 14.527 -8.842 -2.669 1.00 53.14 C ATOM 1840 CG LEU A 115 13.151 -8.736 -3.329 1.00 2.10 C ATOM 1841 CD1 LEU A 115 12.229 -7.854 -2.501 1.00 71.44 C ATOM 1842 CD2 LEU A 115 13.279 -8.195 -4.746 1.00 24.24 C ATOM 0 H LEU A 115 16.930 -9.174 -2.235 1.00 22.13 H new ATOM 0 HA LEU A 115 14.685 -10.859 -1.943 1.00 41.34 H new ATOM 0 HB2 LEU A 115 14.437 -8.517 -1.632 1.00 53.14 H new ATOM 0 HB3 LEU A 115 15.200 -8.143 -3.165 1.00 53.14 H new ATOM 0 HG LEU A 115 12.716 -9.734 -3.381 1.00 2.10 H new ATOM 0 HD11 LEU A 115 11.255 -7.790 -2.986 1.00 71.44 H new ATOM 0 HD12 LEU A 115 12.112 -8.283 -1.506 1.00 71.44 H new ATOM 0 HD13 LEU A 115 12.659 -6.856 -2.417 1.00 71.44 H new ATOM 0 HD21 LEU A 115 12.290 -8.126 -5.200 1.00 24.24 H new ATOM 0 HD22 LEU A 115 13.735 -7.205 -4.718 1.00 24.24 H new ATOM 0 HD23 LEU A 115 13.904 -8.865 -5.336 1.00 24.24 H new ATOM 1854 N GLU A 116 15.576 -10.245 -5.077 1.00 50.24 N ATOM 1855 CA GLU A 116 15.481 -10.757 -6.440 1.00 2.54 C ATOM 1856 C GLU A 116 16.657 -11.675 -6.759 1.00 4.21 C ATOM 1857 O GLU A 116 16.475 -12.775 -7.278 1.00 71.23 O ATOM 1858 CB GLU A 116 15.437 -9.600 -7.441 1.00 35.14 C ATOM 1859 CG GLU A 116 15.113 -10.036 -8.860 1.00 12.32 C ATOM 1860 CD GLU A 116 13.764 -9.528 -9.333 1.00 24.34 C ATOM 1861 OE1 GLU A 116 12.741 -10.159 -8.993 1.00 65.52 O ATOM 1862 OE2 GLU A 116 13.732 -8.501 -10.042 1.00 33.04 O ATOM 0 H GLU A 116 16.117 -9.385 -4.986 1.00 50.24 H new ATOM 0 HA GLU A 116 14.560 -11.334 -6.521 1.00 2.54 H new ATOM 0 HB2 GLU A 116 14.692 -8.875 -7.113 1.00 35.14 H new ATOM 0 HB3 GLU A 116 16.401 -9.090 -7.437 1.00 35.14 H new ATOM 0 HG2 GLU A 116 15.890 -9.674 -9.534 1.00 12.32 H new ATOM 0 HG3 GLU A 116 15.126 -11.125 -8.914 1.00 12.32 H new