USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 88 SER OG : rot 172:sc= 0.306 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -150:sc= -1.03 (180deg=-2.94!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -143:sc= -0.972 (180deg=-2.05!) USER MOD Set 2.2: A 43 THR OG1 : rot -146:sc= 0.224! USER MOD Single : A 19 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.48) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -140:sc= -0.488 USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.243 (180deg=-1.06) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 77 TYR OH : rot -68:sc= 0.0557 USER MOD Single : A 80 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.4!) USER MOD Single : A 85 TYR OH : rot -20:sc= 0.325 USER MOD Single : A 92 ASN : amide:sc=-0.00107 K(o=-0.0011,f=-1.9) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -1.89! C(o=-2.8!,f=-1.9!) USER MOD Single : A 99 SER OG : rot 156:sc= -1.14 USER MOD Single : A 107 SER OG : rot 69:sc= 1.12 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot 11:sc= -1.84 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLY A 16 111.333 6.354 29.527 1.00 2.21 N ATOM 228 CA GLY A 16 110.157 5.447 29.482 1.00 2.06 C ATOM 229 C GLY A 16 110.145 4.672 28.166 1.00 1.98 C ATOM 230 O GLY A 16 110.051 5.240 27.096 1.00 2.44 O ATOM 0 HA2 GLY A 16 110.190 4.753 30.322 1.00 2.06 H new ATOM 0 HA3 GLY A 16 109.238 6.024 29.582 1.00 2.06 H new ATOM 234 N GLY A 17 110.233 3.371 28.235 1.00 1.81 N ATOM 235 CA GLY A 17 110.221 2.547 26.991 1.00 1.74 C ATOM 236 C GLY A 17 111.653 2.250 26.555 1.00 1.78 C ATOM 237 O GLY A 17 112.050 1.110 26.414 1.00 1.80 O ATOM 0 H GLY A 17 110.313 2.841 29.103 1.00 1.81 H new ATOM 0 HA2 GLY A 17 109.684 1.615 27.166 1.00 1.74 H new ATOM 0 HA3 GLY A 17 109.692 3.076 26.198 1.00 1.74 H new ATOM 241 N ALA A 18 112.420 3.271 26.326 1.00 1.84 N ATOM 242 CA ALA A 18 113.828 3.069 25.877 1.00 1.96 C ATOM 243 C ALA A 18 114.517 2.029 26.762 1.00 2.07 C ATOM 244 O ALA A 18 115.598 1.563 26.459 1.00 2.21 O ATOM 245 CB ALA A 18 114.586 4.404 25.965 1.00 2.09 C ATOM 0 H ALA A 18 112.135 4.245 26.430 1.00 1.84 H new ATOM 0 HA ALA A 18 113.829 2.713 24.847 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.616 4.260 25.638 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.101 5.141 25.324 1.00 2.09 H new ATOM 0 HB3 ALA A 18 114.579 4.759 26.996 1.00 2.09 H new ATOM 251 N HIS A 19 113.914 1.679 27.866 1.00 2.06 N ATOM 252 CA HIS A 19 114.545 0.689 28.790 1.00 2.21 C ATOM 253 C HIS A 19 113.960 -0.710 28.566 1.00 2.15 C ATOM 254 O HIS A 19 114.426 -1.675 29.138 1.00 2.33 O ATOM 255 CB HIS A 19 114.281 1.128 30.232 1.00 2.33 C ATOM 256 CG HIS A 19 114.766 0.070 31.187 1.00 2.51 C ATOM 257 ND1 HIS A 19 113.897 -0.662 31.981 1.00 2.79 N ATOM 258 CD2 HIS A 19 116.024 -0.393 31.483 1.00 2.86 C ATOM 259 CE1 HIS A 19 114.637 -1.518 32.709 1.00 2.87 C ATOM 260 NE2 HIS A 19 115.940 -1.396 32.444 1.00 2.87 N ATOM 0 H HIS A 19 113.008 2.037 28.170 1.00 2.06 H new ATOM 0 HA HIS A 19 115.617 0.649 28.595 1.00 2.21 H new ATOM 0 HB2 HIS A 19 114.788 2.072 30.433 1.00 2.33 H new ATOM 0 HB3 HIS A 19 113.215 1.302 30.379 1.00 2.33 H new ATOM 0 HD2 HIS A 19 116.940 -0.033 31.038 1.00 2.86 H new ATOM 0 HE1 HIS A 19 114.227 -2.219 33.421 1.00 2.87 H new ATOM 0 HE2 HIS A 19 116.709 -1.924 32.857 1.00 2.87 H new ATOM 268 N LYS A 20 112.942 -0.838 27.755 1.00 2.02 N ATOM 269 CA LYS A 20 112.342 -2.189 27.525 1.00 2.01 C ATOM 270 C LYS A 20 111.840 -2.307 26.086 1.00 1.90 C ATOM 271 O LYS A 20 111.241 -3.295 25.712 1.00 1.96 O ATOM 272 CB LYS A 20 111.176 -2.390 28.497 1.00 1.99 C ATOM 273 CG LYS A 20 110.127 -1.263 28.314 1.00 1.81 C ATOM 274 CD LYS A 20 108.914 -1.789 27.534 1.00 1.74 C ATOM 275 CE LYS A 20 108.061 -0.618 27.039 1.00 1.58 C ATOM 276 NZ LYS A 20 108.671 -0.045 25.806 1.00 1.94 N ATOM 0 H LYS A 20 112.502 -0.072 27.245 1.00 2.02 H new ATOM 0 HA LYS A 20 113.100 -2.954 27.693 1.00 2.01 H new ATOM 0 HB2 LYS A 20 110.712 -3.361 28.324 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.544 -2.391 29.523 1.00 1.99 H new ATOM 0 HG2 LYS A 20 109.809 -0.891 29.288 1.00 1.81 H new ATOM 0 HG3 LYS A 20 110.574 -0.423 27.782 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.248 -2.389 26.688 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.316 -2.441 28.171 1.00 1.74 H new ATOM 0 HE2 LYS A 20 107.046 -0.956 26.832 1.00 1.58 H new ATOM 0 HE3 LYS A 20 107.991 0.147 27.812 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 108.555 0.989 25.810 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 109.684 -0.280 25.778 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 108.200 -0.443 24.968 1.00 1.94 H new ATOM 290 N VAL A 21 112.090 -1.323 25.268 1.00 1.80 N ATOM 291 CA VAL A 21 111.633 -1.414 23.855 1.00 1.71 C ATOM 292 C VAL A 21 112.582 -2.335 23.098 1.00 1.76 C ATOM 293 O VAL A 21 113.758 -2.065 22.957 1.00 1.81 O ATOM 294 CB VAL A 21 111.617 -0.018 23.218 1.00 1.64 C ATOM 295 CG1 VAL A 21 113.051 0.500 23.034 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.915 -0.091 21.858 1.00 1.75 C ATOM 0 H VAL A 21 112.587 -0.467 25.514 1.00 1.80 H new ATOM 0 HA VAL A 21 110.621 -1.817 23.813 1.00 1.71 H new ATOM 0 HB VAL A 21 111.080 0.668 23.873 1.00 1.64 H new ATOM 0 HG11 VAL A 21 113.025 1.491 22.581 1.00 2.07 H new ATOM 0 HG12 VAL A 21 113.544 0.557 24.004 1.00 2.07 H new ATOM 0 HG13 VAL A 21 113.603 -0.180 22.386 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.901 0.899 21.402 1.00 1.75 H new ATOM 0 HG22 VAL A 21 111.451 -0.783 21.208 1.00 1.75 H new ATOM 0 HG23 VAL A 21 109.892 -0.441 21.995 1.00 1.75 H new ATOM 306 N ARG A 22 112.073 -3.443 22.637 1.00 1.78 N ATOM 307 CA ARG A 22 112.913 -4.433 21.905 1.00 1.85 C ATOM 308 C ARG A 22 112.521 -4.444 20.428 1.00 1.74 C ATOM 309 O ARG A 22 111.358 -4.389 20.079 1.00 1.66 O ATOM 310 CB ARG A 22 112.656 -5.810 22.525 1.00 1.96 C ATOM 311 CG ARG A 22 113.550 -6.886 21.875 1.00 2.03 C ATOM 312 CD ARG A 22 114.939 -6.888 22.528 1.00 2.18 C ATOM 313 NE ARG A 22 114.802 -7.093 23.997 1.00 2.75 N ATOM 314 CZ ARG A 22 115.844 -7.421 24.709 1.00 3.10 C ATOM 315 NH1 ARG A 22 117.006 -7.571 24.134 1.00 3.50 N ATOM 316 NH2 ARG A 22 115.725 -7.599 25.997 1.00 3.33 N ATOM 0 H ARG A 22 111.094 -3.709 22.738 1.00 1.78 H new ATOM 0 HA ARG A 22 113.969 -4.174 21.981 1.00 1.85 H new ATOM 0 HB2 ARG A 22 112.849 -5.771 23.597 1.00 1.96 H new ATOM 0 HB3 ARG A 22 111.607 -6.079 22.399 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.088 -7.867 21.984 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.643 -6.694 20.806 1.00 2.03 H new ATOM 0 HD2 ARG A 22 115.553 -7.678 22.096 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.447 -5.944 22.328 1.00 2.18 H new ATOM 0 HE ARG A 22 113.893 -6.977 24.446 1.00 2.75 H new ATOM 0 HH11 ARG A 22 117.099 -7.432 23.128 1.00 3.50 H new ATOM 0 HH12 ARG A 22 117.821 -7.828 24.691 1.00 3.50 H new ATOM 0 HH21 ARG A 22 114.817 -7.482 26.446 1.00 3.33 H new ATOM 0 HH22 ARG A 22 116.540 -7.856 26.554 1.00 3.33 H new ATOM 330 N ALA A 23 113.490 -4.527 19.558 1.00 1.77 N ATOM 331 CA ALA A 23 113.199 -4.557 18.096 1.00 1.68 C ATOM 332 C ALA A 23 114.265 -5.405 17.404 1.00 1.77 C ATOM 333 O ALA A 23 115.426 -5.048 17.364 1.00 1.83 O ATOM 334 CB ALA A 23 113.231 -3.134 17.536 1.00 1.59 C ATOM 0 H ALA A 23 114.480 -4.576 19.800 1.00 1.77 H new ATOM 0 HA ALA A 23 112.212 -4.984 17.921 1.00 1.68 H new ATOM 0 HB1 ALA A 23 113.018 -3.159 16.467 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.480 -2.527 18.042 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.218 -2.701 17.699 1.00 1.59 H new ATOM 340 N GLY A 24 113.884 -6.532 16.864 1.00 1.80 N ATOM 341 CA GLY A 24 114.880 -7.412 16.179 1.00 1.90 C ATOM 342 C GLY A 24 114.202 -8.149 15.026 1.00 1.86 C ATOM 343 O GLY A 24 113.135 -8.712 15.178 1.00 1.86 O ATOM 0 H GLY A 24 112.926 -6.883 16.867 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.711 -6.815 15.804 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.296 -8.128 16.888 1.00 1.90 H new ATOM 347 N GLY A 25 114.806 -8.150 13.869 1.00 1.85 N ATOM 348 CA GLY A 25 114.184 -8.855 12.716 1.00 1.84 C ATOM 349 C GLY A 25 115.079 -8.733 11.484 1.00 1.84 C ATOM 350 O GLY A 25 116.073 -8.035 11.490 1.00 1.84 O ATOM 0 H GLY A 25 115.698 -7.696 13.674 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.031 -9.906 12.962 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.202 -8.430 12.506 1.00 1.84 H new ATOM 354 N THR A 26 114.725 -9.401 10.420 1.00 1.86 N ATOM 355 CA THR A 26 115.546 -9.318 9.180 1.00 1.87 C ATOM 356 C THR A 26 115.206 -8.021 8.444 1.00 1.75 C ATOM 357 O THR A 26 115.983 -7.518 7.654 1.00 1.76 O ATOM 358 CB THR A 26 115.232 -10.513 8.277 1.00 1.96 C ATOM 359 OG1 THR A 26 113.827 -10.720 8.240 1.00 2.31 O ATOM 360 CG2 THR A 26 115.921 -11.766 8.821 1.00 2.29 C ATOM 0 H THR A 26 113.902 -10.001 10.356 1.00 1.86 H new ATOM 0 HA THR A 26 116.605 -9.330 9.438 1.00 1.87 H new ATOM 0 HB THR A 26 115.597 -10.312 7.270 1.00 1.96 H new ATOM 0 HG1 THR A 26 113.624 -11.484 7.661 1.00 2.31 H new ATOM 0 HG21 THR A 26 115.695 -12.615 8.175 1.00 2.29 H new ATOM 0 HG22 THR A 26 116.999 -11.606 8.847 1.00 2.29 H new ATOM 0 HG23 THR A 26 115.560 -11.971 9.829 1.00 2.29 H new ATOM 368 N GLY A 27 114.051 -7.472 8.705 1.00 1.64 N ATOM 369 CA GLY A 27 113.662 -6.206 8.030 1.00 1.54 C ATOM 370 C GLY A 27 114.552 -5.085 8.549 1.00 1.50 C ATOM 371 O GLY A 27 114.653 -4.027 7.961 1.00 1.46 O ATOM 0 H GLY A 27 113.362 -7.847 9.357 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.769 -6.305 6.950 1.00 1.54 H new ATOM 0 HA3 GLY A 27 112.614 -5.979 8.227 1.00 1.54 H new ATOM 375 N LEU A 28 115.206 -5.319 9.654 1.00 1.57 N ATOM 376 CA LEU A 28 116.105 -4.283 10.235 1.00 1.59 C ATOM 377 C LEU A 28 117.524 -4.517 9.719 1.00 1.69 C ATOM 378 O LEU A 28 118.495 -4.232 10.391 1.00 1.83 O ATOM 379 CB LEU A 28 116.085 -4.397 11.764 1.00 1.65 C ATOM 380 CG LEU A 28 114.667 -4.716 12.244 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.622 -4.651 13.774 1.00 1.66 C ATOM 382 CD2 LEU A 28 113.683 -3.695 11.662 1.00 1.61 C ATOM 0 H LEU A 28 115.155 -6.190 10.182 1.00 1.57 H new ATOM 0 HA LEU A 28 115.768 -3.288 9.945 1.00 1.59 H new ATOM 0 HB2 LEU A 28 116.772 -5.178 12.088 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.429 -3.464 12.211 1.00 1.65 H new ATOM 0 HG LEU A 28 114.389 -5.716 11.911 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.613 -4.878 14.118 1.00 1.66 H new ATOM 0 HD12 LEU A 28 115.319 -5.378 14.190 1.00 1.66 H new ATOM 0 HD13 LEU A 28 114.902 -3.651 14.104 1.00 1.66 H new ATOM 0 HD21 LEU A 28 112.674 -3.925 12.006 1.00 1.61 H new ATOM 0 HD22 LEU A 28 113.960 -2.694 11.993 1.00 1.61 H new ATOM 0 HD23 LEU A 28 113.714 -3.739 10.573 1.00 1.61 H new ATOM 394 N GLU A 29 117.650 -5.048 8.531 1.00 1.73 N ATOM 395 CA GLU A 29 119.004 -5.320 7.964 1.00 1.84 C ATOM 396 C GLU A 29 119.004 -5.014 6.462 1.00 1.75 C ATOM 397 O GLU A 29 119.925 -4.414 5.945 1.00 1.78 O ATOM 398 CB GLU A 29 119.354 -6.794 8.199 1.00 2.00 C ATOM 399 CG GLU A 29 118.827 -7.229 9.570 1.00 2.06 C ATOM 400 CD GLU A 29 119.401 -8.601 9.926 1.00 1.98 C ATOM 401 OE1 GLU A 29 119.449 -9.447 9.048 1.00 2.21 O ATOM 402 OE2 GLU A 29 119.784 -8.782 11.070 1.00 2.34 O ATOM 0 H GLU A 29 116.870 -5.306 7.927 1.00 1.73 H new ATOM 0 HA GLU A 29 119.745 -4.687 8.452 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.916 -7.413 7.416 1.00 2.00 H new ATOM 0 HB3 GLU A 29 120.434 -6.935 8.150 1.00 2.00 H new ATOM 0 HG2 GLU A 29 119.108 -6.498 10.328 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.738 -7.271 9.556 1.00 2.06 H new ATOM 409 N ARG A 30 117.982 -5.419 5.754 1.00 1.69 N ATOM 410 CA ARG A 30 117.944 -5.141 4.288 1.00 1.64 C ATOM 411 C ARG A 30 116.610 -5.612 3.700 1.00 1.59 C ATOM 412 O ARG A 30 115.820 -6.258 4.360 1.00 1.61 O ATOM 413 CB ARG A 30 119.092 -5.888 3.602 1.00 1.75 C ATOM 414 CG ARG A 30 119.170 -7.315 4.152 1.00 2.21 C ATOM 415 CD ARG A 30 120.152 -8.139 3.315 1.00 2.47 C ATOM 416 NE ARG A 30 119.502 -8.534 2.034 1.00 2.96 N ATOM 417 CZ ARG A 30 120.228 -8.984 1.048 1.00 3.36 C ATOM 418 NH1 ARG A 30 121.522 -9.087 1.185 1.00 3.77 N ATOM 419 NH2 ARG A 30 119.661 -9.331 -0.075 1.00 3.76 N ATOM 0 H ARG A 30 117.178 -5.926 6.124 1.00 1.69 H new ATOM 0 HA ARG A 30 118.049 -4.069 4.123 1.00 1.64 H new ATOM 0 HB2 ARG A 30 118.933 -5.910 2.524 1.00 1.75 H new ATOM 0 HB3 ARG A 30 120.034 -5.368 3.775 1.00 1.75 H new ATOM 0 HG2 ARG A 30 119.492 -7.296 5.193 1.00 2.21 H new ATOM 0 HG3 ARG A 30 118.183 -7.777 4.131 1.00 2.21 H new ATOM 0 HD2 ARG A 30 121.052 -7.558 3.115 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.462 -9.026 3.867 1.00 2.47 H new ATOM 0 HE ARG A 30 118.491 -8.453 1.928 1.00 2.96 H new ATOM 0 HH11 ARG A 30 121.965 -8.816 2.063 1.00 3.77 H new ATOM 0 HH12 ARG A 30 122.090 -9.439 0.414 1.00 3.77 H new ATOM 0 HH21 ARG A 30 118.650 -9.250 -0.182 1.00 3.76 H new ATOM 0 HH22 ARG A 30 120.229 -9.683 -0.846 1.00 3.76 H new ATOM 433 N GLY A 31 116.359 -5.295 2.455 1.00 1.54 N ATOM 434 CA GLY A 31 115.087 -5.721 1.805 1.00 1.52 C ATOM 435 C GLY A 31 115.344 -5.887 0.310 1.00 1.55 C ATOM 436 O GLY A 31 116.431 -5.622 -0.165 1.00 1.57 O ATOM 0 H GLY A 31 116.986 -4.756 1.859 1.00 1.54 H new ATOM 0 HA2 GLY A 31 114.736 -6.659 2.236 1.00 1.52 H new ATOM 0 HA3 GLY A 31 114.307 -4.980 1.976 1.00 1.52 H new ATOM 440 N VAL A 32 114.363 -6.328 -0.442 1.00 1.56 N ATOM 441 CA VAL A 32 114.567 -6.514 -1.916 1.00 1.60 C ATOM 442 C VAL A 32 113.383 -5.929 -2.702 1.00 1.53 C ATOM 443 O VAL A 32 112.268 -5.856 -2.224 1.00 1.50 O ATOM 444 CB VAL A 32 114.725 -8.014 -2.204 1.00 1.75 C ATOM 445 CG1 VAL A 32 114.593 -8.293 -3.707 1.00 1.80 C ATOM 446 CG2 VAL A 32 116.103 -8.483 -1.725 1.00 1.83 C ATOM 0 H VAL A 32 113.432 -6.567 -0.101 1.00 1.56 H new ATOM 0 HA VAL A 32 115.466 -5.986 -2.234 1.00 1.60 H new ATOM 0 HB VAL A 32 113.940 -8.554 -1.674 1.00 1.75 H new ATOM 0 HG11 VAL A 32 114.708 -9.361 -3.890 1.00 1.80 H new ATOM 0 HG12 VAL A 32 113.611 -7.969 -4.052 1.00 1.80 H new ATOM 0 HG13 VAL A 32 115.366 -7.747 -4.248 1.00 1.80 H new ATOM 0 HG21 VAL A 32 116.216 -9.548 -1.929 1.00 1.83 H new ATOM 0 HG22 VAL A 32 116.879 -7.928 -2.252 1.00 1.83 H new ATOM 0 HG23 VAL A 32 116.195 -8.307 -0.653 1.00 1.83 H new ATOM 456 N ALA A 33 113.647 -5.499 -3.909 1.00 1.51 N ATOM 457 CA ALA A 33 112.590 -4.890 -4.776 1.00 1.46 C ATOM 458 C ALA A 33 111.280 -5.692 -4.756 1.00 1.53 C ATOM 459 O ALA A 33 111.203 -6.807 -5.233 1.00 1.64 O ATOM 460 CB ALA A 33 113.128 -4.818 -6.220 1.00 1.51 C ATOM 0 H ALA A 33 114.570 -5.545 -4.340 1.00 1.51 H new ATOM 0 HA ALA A 33 112.362 -3.897 -4.389 1.00 1.46 H new ATOM 0 HB1 ALA A 33 112.371 -4.376 -6.869 1.00 1.51 H new ATOM 0 HB2 ALA A 33 114.028 -4.204 -6.243 1.00 1.51 H new ATOM 0 HB3 ALA A 33 113.365 -5.823 -6.571 1.00 1.51 H new ATOM 466 N GLY A 34 110.243 -5.088 -4.249 1.00 1.46 N ATOM 467 CA GLY A 34 108.904 -5.737 -4.228 1.00 1.52 C ATOM 468 C GLY A 34 108.965 -7.107 -3.565 1.00 1.62 C ATOM 469 O GLY A 34 108.484 -8.082 -4.108 1.00 1.73 O ATOM 0 H GLY A 34 110.268 -4.154 -3.840 1.00 1.46 H new ATOM 0 HA2 GLY A 34 108.198 -5.102 -3.693 1.00 1.52 H new ATOM 0 HA3 GLY A 34 108.531 -5.840 -5.247 1.00 1.52 H new ATOM 473 N VAL A 35 109.537 -7.191 -2.390 1.00 1.59 N ATOM 474 CA VAL A 35 109.616 -8.501 -1.671 1.00 1.69 C ATOM 475 C VAL A 35 109.033 -8.309 -0.248 1.00 1.61 C ATOM 476 O VAL A 35 109.465 -7.411 0.447 1.00 1.55 O ATOM 477 CB VAL A 35 111.094 -8.934 -1.597 1.00 1.77 C ATOM 478 CG1 VAL A 35 111.316 -9.936 -0.456 1.00 2.04 C ATOM 479 CG2 VAL A 35 111.492 -9.594 -2.923 1.00 2.19 C ATOM 0 H VAL A 35 109.955 -6.404 -1.894 1.00 1.59 H new ATOM 0 HA VAL A 35 109.048 -9.272 -2.192 1.00 1.69 H new ATOM 0 HB VAL A 35 111.704 -8.050 -1.411 1.00 1.77 H new ATOM 0 HG11 VAL A 35 112.366 -10.226 -0.425 1.00 2.04 H new ATOM 0 HG12 VAL A 35 111.039 -9.475 0.492 1.00 2.04 H new ATOM 0 HG13 VAL A 35 110.701 -10.820 -0.623 1.00 2.04 H new ATOM 0 HG21 VAL A 35 112.536 -9.902 -2.877 1.00 2.19 H new ATOM 0 HG22 VAL A 35 110.863 -10.467 -3.098 1.00 2.19 H new ATOM 0 HG23 VAL A 35 111.360 -8.882 -3.738 1.00 2.19 H new ATOM 489 N PRO A 36 108.073 -9.129 0.171 1.00 1.67 N ATOM 490 CA PRO A 36 107.493 -8.973 1.518 1.00 1.61 C ATOM 491 C PRO A 36 108.603 -9.021 2.573 1.00 1.61 C ATOM 492 O PRO A 36 109.327 -9.991 2.682 1.00 1.74 O ATOM 493 CB PRO A 36 106.502 -10.151 1.676 1.00 1.76 C ATOM 494 CG PRO A 36 106.489 -10.933 0.332 1.00 1.96 C ATOM 495 CD PRO A 36 107.498 -10.247 -0.618 1.00 1.85 C ATOM 0 HA PRO A 36 106.985 -8.017 1.648 1.00 1.61 H new ATOM 0 HB2 PRO A 36 106.807 -10.802 2.495 1.00 1.76 H new ATOM 0 HB3 PRO A 36 105.504 -9.783 1.916 1.00 1.76 H new ATOM 0 HG2 PRO A 36 106.763 -11.976 0.493 1.00 1.96 H new ATOM 0 HG3 PRO A 36 105.490 -10.929 -0.103 1.00 1.96 H new ATOM 0 HD2 PRO A 36 108.273 -10.943 -0.939 1.00 1.85 H new ATOM 0 HD3 PRO A 36 107.005 -9.881 -1.519 1.00 1.85 H new ATOM 503 N ALA A 37 108.733 -7.976 3.352 1.00 1.53 N ATOM 504 CA ALA A 37 109.787 -7.938 4.415 1.00 1.62 C ATOM 505 C ALA A 37 109.128 -7.555 5.736 1.00 1.53 C ATOM 506 O ALA A 37 108.190 -6.784 5.765 1.00 1.52 O ATOM 507 CB ALA A 37 110.843 -6.893 4.048 1.00 1.69 C ATOM 0 H ALA A 37 108.150 -7.141 3.297 1.00 1.53 H new ATOM 0 HA ALA A 37 110.266 -8.913 4.505 1.00 1.62 H new ATOM 0 HB1 ALA A 37 111.611 -6.864 4.821 1.00 1.69 H new ATOM 0 HB2 ALA A 37 111.299 -7.156 3.093 1.00 1.69 H new ATOM 0 HB3 ALA A 37 110.373 -5.913 3.968 1.00 1.69 H new ATOM 513 N GLU A 38 109.596 -8.087 6.834 1.00 1.50 N ATOM 514 CA GLU A 38 108.966 -7.741 8.141 1.00 1.45 C ATOM 515 C GLU A 38 109.975 -7.858 9.274 1.00 1.50 C ATOM 516 O GLU A 38 111.011 -8.483 9.153 1.00 1.60 O ATOM 517 CB GLU A 38 107.788 -8.694 8.417 1.00 1.54 C ATOM 518 CG GLU A 38 108.305 -10.072 8.857 1.00 1.68 C ATOM 519 CD GLU A 38 107.207 -11.123 8.670 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.859 -11.390 7.531 1.00 2.23 O ATOM 521 OE2 GLU A 38 106.735 -11.642 9.667 1.00 2.12 O ATOM 0 H GLU A 38 110.379 -8.739 6.883 1.00 1.50 H new ATOM 0 HA GLU A 38 108.610 -6.712 8.088 1.00 1.45 H new ATOM 0 HB2 GLU A 38 107.147 -8.275 9.192 1.00 1.54 H new ATOM 0 HB3 GLU A 38 107.178 -8.797 7.520 1.00 1.54 H new ATOM 0 HG2 GLU A 38 109.184 -10.344 8.273 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.614 -10.038 9.902 1.00 1.68 H new ATOM 528 N PHE A 39 109.643 -7.281 10.394 1.00 1.46 N ATOM 529 CA PHE A 39 110.522 -7.365 11.583 1.00 1.54 C ATOM 530 C PHE A 39 109.621 -7.563 12.788 1.00 1.53 C ATOM 531 O PHE A 39 108.411 -7.613 12.665 1.00 1.50 O ATOM 532 CB PHE A 39 111.368 -6.093 11.752 1.00 1.54 C ATOM 533 CG PHE A 39 110.563 -4.863 11.399 1.00 1.31 C ATOM 534 CD1 PHE A 39 110.213 -4.626 10.071 1.00 1.36 C ATOM 535 CD2 PHE A 39 110.187 -3.952 12.395 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.482 -3.482 9.729 1.00 1.32 C ATOM 537 CE2 PHE A 39 109.460 -2.805 12.055 1.00 1.37 C ATOM 538 CZ PHE A 39 109.106 -2.571 10.722 1.00 1.30 C ATOM 0 H PHE A 39 108.785 -6.747 10.534 1.00 1.46 H new ATOM 0 HA PHE A 39 111.222 -8.193 11.472 1.00 1.54 H new ATOM 0 HB2 PHE A 39 111.721 -6.019 12.781 1.00 1.54 H new ATOM 0 HB3 PHE A 39 112.251 -6.151 11.115 1.00 1.54 H new ATOM 0 HD1 PHE A 39 110.507 -5.327 9.303 1.00 1.36 H new ATOM 0 HD2 PHE A 39 110.458 -4.135 13.424 1.00 1.34 H new ATOM 0 HE1 PHE A 39 109.209 -3.303 8.700 1.00 1.32 H new ATOM 0 HE2 PHE A 39 109.172 -2.101 12.822 1.00 1.37 H new ATOM 0 HZ PHE A 39 108.543 -1.688 10.460 1.00 1.30 H new ATOM 548 N SER A 40 110.196 -7.694 13.943 1.00 1.60 N ATOM 549 CA SER A 40 109.382 -7.919 15.178 1.00 1.61 C ATOM 550 C SER A 40 109.644 -6.810 16.198 1.00 1.59 C ATOM 551 O SER A 40 110.758 -6.361 16.377 1.00 1.64 O ATOM 552 CB SER A 40 109.769 -9.264 15.792 1.00 1.73 C ATOM 553 OG SER A 40 109.314 -10.313 14.949 1.00 2.37 O ATOM 0 H SER A 40 111.204 -7.656 14.094 1.00 1.60 H new ATOM 0 HA SER A 40 108.325 -7.914 14.913 1.00 1.61 H new ATOM 0 HB2 SER A 40 110.851 -9.323 15.914 1.00 1.73 H new ATOM 0 HB3 SER A 40 109.330 -9.363 16.785 1.00 1.73 H new ATOM 0 HG SER A 40 109.562 -11.177 15.339 1.00 2.37 H new ATOM 559 N ILE A 41 108.615 -6.381 16.880 1.00 1.54 N ATOM 560 CA ILE A 41 108.768 -5.314 17.915 1.00 1.54 C ATOM 561 C ILE A 41 107.921 -5.698 19.130 1.00 1.60 C ATOM 562 O ILE A 41 106.734 -5.931 19.022 1.00 1.65 O ATOM 563 CB ILE A 41 108.292 -3.969 17.349 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.314 -3.464 16.325 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.164 -2.944 18.482 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.739 -2.265 15.564 1.00 1.34 C ATOM 0 H ILE A 41 107.663 -6.728 16.763 1.00 1.54 H new ATOM 0 HA ILE A 41 109.814 -5.218 18.205 1.00 1.54 H new ATOM 0 HB ILE A 41 107.321 -4.101 16.872 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.237 -3.177 16.830 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.567 -4.262 15.627 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.826 -1.991 18.074 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.442 -3.301 19.216 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.133 -2.810 18.962 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.470 -1.910 14.838 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.829 -2.566 15.045 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.508 -1.464 16.267 1.00 1.34 H new ATOM 578 N TRP A 42 108.532 -5.775 20.283 1.00 1.65 N ATOM 579 CA TRP A 42 107.790 -6.153 21.526 1.00 1.71 C ATOM 580 C TRP A 42 108.072 -5.098 22.605 1.00 1.77 C ATOM 581 O TRP A 42 109.208 -4.807 22.923 1.00 1.78 O ATOM 582 CB TRP A 42 108.272 -7.549 21.970 1.00 1.88 C ATOM 583 CG TRP A 42 108.085 -7.747 23.445 1.00 2.08 C ATOM 584 CD1 TRP A 42 106.924 -7.562 24.115 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.068 -8.163 24.436 1.00 2.36 C ATOM 586 NE1 TRP A 42 107.134 -7.839 25.455 1.00 2.89 N ATOM 587 CE2 TRP A 42 108.439 -8.213 25.702 1.00 2.64 C ATOM 588 CE3 TRP A 42 110.432 -8.499 24.360 1.00 3.00 C ATOM 589 CZ2 TRP A 42 109.137 -8.583 26.852 1.00 3.08 C ATOM 590 CZ3 TRP A 42 111.138 -8.871 25.515 1.00 3.68 C ATOM 591 CH2 TRP A 42 110.492 -8.913 26.758 1.00 3.56 C ATOM 0 H TRP A 42 109.526 -5.590 20.420 1.00 1.65 H new ATOM 0 HA TRP A 42 106.715 -6.191 21.353 1.00 1.71 H new ATOM 0 HB2 TRP A 42 107.722 -8.316 21.425 1.00 1.88 H new ATOM 0 HB3 TRP A 42 109.325 -7.671 21.715 1.00 1.88 H new ATOM 0 HD1 TRP A 42 105.988 -7.250 23.677 1.00 2.66 H new ATOM 0 HE1 TRP A 42 106.412 -7.774 26.172 1.00 2.89 H new ATOM 0 HE3 TRP A 42 110.939 -8.471 23.407 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.634 -8.614 27.807 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 112.185 -9.126 25.445 1.00 3.68 H new ATOM 0 HH2 TRP A 42 111.041 -9.200 27.643 1.00 3.56 H new ATOM 602 N THR A 43 107.041 -4.521 23.164 1.00 1.91 N ATOM 603 CA THR A 43 107.237 -3.480 24.216 1.00 2.07 C ATOM 604 C THR A 43 106.038 -3.491 25.167 1.00 1.92 C ATOM 605 O THR A 43 104.917 -3.246 24.769 1.00 2.17 O ATOM 606 CB THR A 43 107.346 -2.104 23.550 1.00 2.42 C ATOM 607 OG1 THR A 43 106.947 -1.100 24.471 1.00 2.72 O ATOM 608 CG2 THR A 43 106.438 -2.057 22.319 1.00 2.89 C ATOM 0 H THR A 43 106.068 -4.727 22.937 1.00 1.91 H new ATOM 0 HA THR A 43 108.149 -3.689 24.776 1.00 2.07 H new ATOM 0 HB THR A 43 108.378 -1.929 23.246 1.00 2.42 H new ATOM 0 HG1 THR A 43 106.505 -0.371 23.989 1.00 2.72 H new ATOM 0 HG21 THR A 43 106.516 -1.078 21.846 1.00 2.89 H new ATOM 0 HG22 THR A 43 106.744 -2.827 21.611 1.00 2.89 H new ATOM 0 HG23 THR A 43 105.406 -2.232 22.622 1.00 2.89 H new ATOM 616 N ARG A 44 106.263 -3.774 26.422 1.00 1.96 N ATOM 617 CA ARG A 44 105.130 -3.799 27.390 1.00 1.92 C ATOM 618 C ARG A 44 105.672 -3.933 28.817 1.00 1.92 C ATOM 619 O ARG A 44 105.548 -4.967 29.444 1.00 2.18 O ATOM 620 CB ARG A 44 104.217 -4.987 27.072 1.00 2.09 C ATOM 621 CG ARG A 44 105.071 -6.213 26.748 1.00 2.62 C ATOM 622 CD ARG A 44 104.197 -7.469 26.779 1.00 3.00 C ATOM 623 NE ARG A 44 103.864 -7.806 28.192 1.00 3.63 N ATOM 624 CZ ARG A 44 102.908 -8.655 28.452 1.00 4.14 C ATOM 625 NH1 ARG A 44 102.240 -9.205 27.474 1.00 4.51 N ATOM 626 NH2 ARG A 44 102.618 -8.954 29.688 1.00 4.63 N ATOM 0 H ARG A 44 107.179 -3.988 26.817 1.00 1.96 H new ATOM 0 HA ARG A 44 104.563 -2.872 27.309 1.00 1.92 H new ATOM 0 HB2 ARG A 44 103.567 -5.197 27.921 1.00 2.09 H new ATOM 0 HB3 ARG A 44 103.571 -4.747 26.228 1.00 2.09 H new ATOM 0 HG2 ARG A 44 105.529 -6.100 25.765 1.00 2.62 H new ATOM 0 HG3 ARG A 44 105.883 -6.304 27.470 1.00 2.62 H new ATOM 0 HD2 ARG A 44 103.283 -7.304 26.208 1.00 3.00 H new ATOM 0 HD3 ARG A 44 104.721 -8.301 26.309 1.00 3.00 H new ATOM 0 HE ARG A 44 104.383 -7.373 28.956 1.00 3.63 H new ATOM 0 HH11 ARG A 44 102.466 -8.971 26.507 1.00 4.51 H new ATOM 0 HH12 ARG A 44 101.493 -9.869 27.677 1.00 4.51 H new ATOM 0 HH21 ARG A 44 103.139 -8.524 30.452 1.00 4.63 H new ATOM 0 HH22 ARG A 44 101.870 -9.618 29.890 1.00 4.63 H new ATOM 640 N GLU A 45 106.264 -2.892 29.336 1.00 1.87 N ATOM 641 CA GLU A 45 106.807 -2.950 30.725 1.00 1.94 C ATOM 642 C GLU A 45 106.847 -1.535 31.306 1.00 1.84 C ATOM 643 O GLU A 45 106.450 -1.305 32.431 1.00 1.87 O ATOM 644 CB GLU A 45 108.222 -3.547 30.706 1.00 2.09 C ATOM 645 CG GLU A 45 108.587 -4.055 32.104 1.00 2.37 C ATOM 646 CD GLU A 45 110.054 -4.486 32.126 1.00 2.40 C ATOM 647 OE1 GLU A 45 110.330 -5.601 31.715 1.00 2.73 O ATOM 648 OE2 GLU A 45 110.878 -3.693 32.553 1.00 2.89 O ATOM 0 H GLU A 45 106.396 -2.001 28.857 1.00 1.87 H new ATOM 0 HA GLU A 45 106.167 -3.580 31.343 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.273 -4.365 29.987 1.00 2.09 H new ATOM 0 HB3 GLU A 45 108.941 -2.794 30.383 1.00 2.09 H new ATOM 0 HG2 GLU A 45 108.416 -3.272 32.843 1.00 2.37 H new ATOM 0 HG3 GLU A 45 107.947 -4.894 32.376 1.00 2.37 H new ATOM 655 N ALA A 46 107.317 -0.580 30.547 1.00 1.74 N ATOM 656 CA ALA A 46 107.370 0.816 31.065 1.00 1.71 C ATOM 657 C ALA A 46 105.947 1.336 31.253 1.00 1.64 C ATOM 658 O ALA A 46 105.569 1.765 32.326 1.00 1.71 O ATOM 659 CB ALA A 46 108.114 1.716 30.074 1.00 1.66 C ATOM 0 H ALA A 46 107.664 -0.706 29.596 1.00 1.74 H new ATOM 0 HA ALA A 46 107.897 0.826 32.019 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.147 2.734 30.462 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.130 1.346 29.938 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.595 1.709 29.116 1.00 1.66 H new ATOM 665 N GLY A 47 105.153 1.303 30.219 1.00 1.60 N ATOM 666 CA GLY A 47 103.753 1.796 30.338 1.00 1.58 C ATOM 667 C GLY A 47 103.246 2.237 28.965 1.00 1.42 C ATOM 668 O GLY A 47 104.017 2.565 28.085 1.00 1.37 O ATOM 0 H GLY A 47 105.414 0.956 29.296 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.113 1.010 30.738 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.709 2.630 31.038 1.00 1.58 H new ATOM 672 N ALA A 48 101.956 2.246 28.772 1.00 1.40 N ATOM 673 CA ALA A 48 101.406 2.664 27.454 1.00 1.27 C ATOM 674 C ALA A 48 101.966 4.037 27.079 1.00 1.21 C ATOM 675 O ALA A 48 102.383 4.803 27.925 1.00 1.37 O ATOM 676 CB ALA A 48 99.880 2.736 27.537 1.00 1.32 C ATOM 0 H ALA A 48 101.260 1.982 29.470 1.00 1.40 H new ATOM 0 HA ALA A 48 101.692 1.937 26.694 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.477 3.042 26.572 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.483 1.756 27.801 1.00 1.32 H new ATOM 0 HB3 ALA A 48 99.591 3.461 28.297 1.00 1.32 H new ATOM 682 N GLY A 49 101.978 4.351 25.815 1.00 1.04 N ATOM 683 CA GLY A 49 102.509 5.670 25.375 1.00 1.02 C ATOM 684 C GLY A 49 102.187 5.866 23.896 1.00 0.87 C ATOM 685 O GLY A 49 101.043 6.021 23.516 1.00 0.71 O ATOM 0 H GLY A 49 101.641 3.748 25.064 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.065 6.471 25.966 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.586 5.715 25.535 1.00 1.02 H new ATOM 689 N GLY A 50 103.183 5.855 23.051 1.00 0.98 N ATOM 690 CA GLY A 50 102.919 6.035 21.597 1.00 0.86 C ATOM 691 C GLY A 50 104.079 5.451 20.793 1.00 0.86 C ATOM 692 O GLY A 50 105.158 5.240 21.303 1.00 1.06 O ATOM 0 H GLY A 50 104.163 5.730 23.304 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.987 5.541 21.322 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.799 7.094 21.366 1.00 0.86 H new ATOM 696 N LEU A 51 103.864 5.193 19.534 1.00 0.74 N ATOM 697 CA LEU A 51 104.949 4.631 18.676 1.00 0.75 C ATOM 698 C LEU A 51 104.859 5.299 17.315 1.00 0.68 C ATOM 699 O LEU A 51 104.079 4.900 16.484 1.00 0.60 O ATOM 700 CB LEU A 51 104.755 3.117 18.522 1.00 0.74 C ATOM 701 CG LEU A 51 105.979 2.493 17.818 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.089 2.203 18.837 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.570 1.179 17.142 1.00 0.77 C ATOM 0 H LEU A 51 102.976 5.348 19.057 1.00 0.74 H new ATOM 0 HA LEU A 51 105.924 4.813 19.127 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.617 2.659 19.501 1.00 0.74 H new ATOM 0 HB3 LEU A 51 103.852 2.915 17.945 1.00 0.74 H new ATOM 0 HG LEU A 51 106.348 3.197 17.073 1.00 0.81 H new ATOM 0 HD11 LEU A 51 107.946 1.763 18.326 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.392 3.132 19.319 1.00 1.10 H new ATOM 0 HD13 LEU A 51 106.719 1.507 19.590 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.436 0.740 16.646 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.192 0.485 17.893 1.00 0.77 H new ATOM 0 HD23 LEU A 51 104.791 1.376 16.406 1.00 0.77 H new ATOM 715 N SER A 52 105.650 6.319 17.091 1.00 0.75 N ATOM 716 CA SER A 52 105.619 7.038 15.784 1.00 0.71 C ATOM 717 C SER A 52 106.573 6.346 14.819 1.00 0.70 C ATOM 718 O SER A 52 107.626 5.893 15.221 1.00 0.78 O ATOM 719 CB SER A 52 106.071 8.484 15.991 1.00 0.82 C ATOM 720 OG SER A 52 105.344 9.053 17.072 1.00 1.56 O ATOM 0 H SER A 52 106.321 6.686 17.765 1.00 0.75 H new ATOM 0 HA SER A 52 104.607 7.028 15.378 1.00 0.71 H new ATOM 0 HB2 SER A 52 107.140 8.517 16.200 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.906 9.062 15.082 1.00 0.82 H new ATOM 0 HG SER A 52 105.633 9.980 17.209 1.00 1.56 H new ATOM 726 N ILE A 53 106.228 6.258 13.549 1.00 0.61 N ATOM 727 CA ILE A 53 107.135 5.594 12.568 1.00 0.61 C ATOM 728 C ILE A 53 107.185 6.437 11.291 1.00 0.57 C ATOM 729 O ILE A 53 106.296 6.382 10.465 1.00 0.65 O ATOM 730 CB ILE A 53 106.597 4.197 12.240 1.00 0.56 C ATOM 731 CG1 ILE A 53 106.114 3.523 13.528 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.706 3.351 11.605 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.676 2.088 13.224 1.00 0.64 C ATOM 0 H ILE A 53 105.358 6.619 13.158 1.00 0.61 H new ATOM 0 HA ILE A 53 108.136 5.503 12.990 1.00 0.61 H new ATOM 0 HB ILE A 53 105.767 4.285 11.540 1.00 0.56 H new ATOM 0 HG12 ILE A 53 106.912 3.521 14.270 1.00 0.64 H new ATOM 0 HG13 ILE A 53 105.283 4.085 13.955 1.00 0.64 H new ATOM 0 HG21 ILE A 53 107.319 2.359 11.373 1.00 0.63 H new ATOM 0 HG22 ILE A 53 108.049 3.830 10.688 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.540 3.262 12.301 1.00 0.63 H new ATOM 0 HD11 ILE A 53 105.333 1.610 14.142 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.864 2.102 12.496 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.519 1.529 12.817 1.00 0.64 H new ATOM 745 N ALA A 54 108.221 7.217 11.122 1.00 0.60 N ATOM 746 CA ALA A 54 108.339 8.067 9.901 1.00 0.57 C ATOM 747 C ALA A 54 109.257 7.371 8.901 1.00 0.54 C ATOM 748 O ALA A 54 110.459 7.318 9.078 1.00 0.63 O ATOM 749 CB ALA A 54 108.934 9.426 10.282 1.00 0.69 C ATOM 0 H ALA A 54 108.995 7.302 11.781 1.00 0.60 H new ATOM 0 HA ALA A 54 107.355 8.217 9.457 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.021 10.048 9.391 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.284 9.918 11.006 1.00 0.69 H new ATOM 0 HB3 ALA A 54 109.921 9.281 10.721 1.00 0.69 H new ATOM 755 N VAL A 55 108.698 6.828 7.852 1.00 0.45 N ATOM 756 CA VAL A 55 109.531 6.123 6.827 1.00 0.47 C ATOM 757 C VAL A 55 109.805 7.071 5.658 1.00 0.41 C ATOM 758 O VAL A 55 108.970 7.875 5.292 1.00 0.39 O ATOM 759 CB VAL A 55 108.780 4.876 6.303 1.00 0.47 C ATOM 760 CG1 VAL A 55 109.777 3.757 5.974 1.00 0.91 C ATOM 761 CG2 VAL A 55 107.802 4.377 7.371 1.00 0.79 C ATOM 0 H VAL A 55 107.697 6.841 7.658 1.00 0.45 H new ATOM 0 HA VAL A 55 110.471 5.813 7.283 1.00 0.47 H new ATOM 0 HB VAL A 55 108.234 5.150 5.400 1.00 0.47 H new ATOM 0 HG11 VAL A 55 109.237 2.885 5.606 1.00 0.91 H new ATOM 0 HG12 VAL A 55 110.472 4.102 5.209 1.00 0.91 H new ATOM 0 HG13 VAL A 55 110.331 3.488 6.873 1.00 0.91 H new ATOM 0 HG21 VAL A 55 107.274 3.499 6.999 1.00 0.79 H new ATOM 0 HG22 VAL A 55 108.353 4.114 8.274 1.00 0.79 H new ATOM 0 HG23 VAL A 55 107.082 5.163 7.601 1.00 0.79 H new ATOM 771 N GLU A 56 110.956 6.964 5.049 1.00 0.44 N ATOM 772 CA GLU A 56 111.273 7.834 3.883 1.00 0.40 C ATOM 773 C GLU A 56 112.031 6.979 2.868 1.00 0.43 C ATOM 774 O GLU A 56 112.871 6.179 3.223 1.00 0.52 O ATOM 775 CB GLU A 56 112.115 9.031 4.351 1.00 0.47 C ATOM 776 CG GLU A 56 112.388 9.981 3.177 1.00 0.49 C ATOM 777 CD GLU A 56 111.154 10.846 2.906 1.00 1.08 C ATOM 778 OE1 GLU A 56 110.204 10.749 3.665 1.00 1.80 O ATOM 779 OE2 GLU A 56 111.181 11.593 1.942 1.00 1.71 O ATOM 0 H GLU A 56 111.692 6.308 5.311 1.00 0.44 H new ATOM 0 HA GLU A 56 110.369 8.231 3.422 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.592 9.564 5.145 1.00 0.47 H new ATOM 0 HB3 GLU A 56 113.058 8.680 4.770 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.245 10.616 3.404 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.643 9.407 2.286 1.00 0.49 H new ATOM 786 N GLY A 57 111.724 7.114 1.609 1.00 0.41 N ATOM 787 CA GLY A 57 112.424 6.274 0.593 1.00 0.49 C ATOM 788 C GLY A 57 111.790 6.483 -0.789 1.00 0.45 C ATOM 789 O GLY A 57 110.953 7.343 -0.947 1.00 0.44 O ATOM 0 H GLY A 57 111.027 7.761 1.240 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.482 6.535 0.560 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.364 5.223 0.875 1.00 0.49 H new ATOM 793 N PRO A 58 112.216 5.696 -1.757 1.00 0.50 N ATOM 794 CA PRO A 58 111.696 5.796 -3.139 1.00 0.52 C ATOM 795 C PRO A 58 110.192 5.483 -3.201 1.00 0.54 C ATOM 796 O PRO A 58 109.473 6.055 -3.996 1.00 0.56 O ATOM 797 CB PRO A 58 112.513 4.758 -3.947 1.00 0.63 C ATOM 798 CG PRO A 58 113.553 4.126 -2.978 1.00 0.66 C ATOM 799 CD PRO A 58 113.253 4.660 -1.560 1.00 0.60 C ATOM 0 HA PRO A 58 111.802 6.805 -3.537 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.858 3.991 -4.359 1.00 0.63 H new ATOM 0 HB3 PRO A 58 113.014 5.236 -4.789 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.486 3.038 -3.000 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.567 4.389 -3.280 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.898 3.865 -0.905 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.147 5.078 -1.098 1.00 0.60 H new ATOM 807 N SER A 59 109.714 4.571 -2.392 1.00 0.56 N ATOM 808 CA SER A 59 108.257 4.219 -2.434 1.00 0.60 C ATOM 809 C SER A 59 107.725 4.022 -1.017 1.00 0.55 C ATOM 810 O SER A 59 108.472 3.840 -0.079 1.00 0.55 O ATOM 811 CB SER A 59 108.074 2.925 -3.222 1.00 0.71 C ATOM 812 OG SER A 59 108.787 3.020 -4.448 1.00 1.55 O ATOM 0 H SER A 59 110.265 4.055 -1.706 1.00 0.56 H new ATOM 0 HA SER A 59 107.708 5.029 -2.914 1.00 0.60 H new ATOM 0 HB2 SER A 59 108.437 2.077 -2.641 1.00 0.71 H new ATOM 0 HB3 SER A 59 107.016 2.749 -3.415 1.00 0.71 H new ATOM 0 HG SER A 59 108.257 2.617 -5.167 1.00 1.55 H new ATOM 818 N LYS A 60 106.430 4.063 -0.858 1.00 0.59 N ATOM 819 CA LYS A 60 105.833 3.883 0.495 1.00 0.57 C ATOM 820 C LYS A 60 105.665 2.392 0.784 1.00 0.63 C ATOM 821 O LYS A 60 104.687 1.781 0.401 1.00 0.73 O ATOM 822 CB LYS A 60 104.469 4.582 0.544 1.00 0.63 C ATOM 823 CG LYS A 60 104.533 5.877 -0.269 1.00 1.23 C ATOM 824 CD LYS A 60 103.247 6.677 -0.058 1.00 1.29 C ATOM 825 CE LYS A 60 103.332 7.994 -0.831 1.00 1.87 C ATOM 826 NZ LYS A 60 103.845 7.731 -2.205 1.00 2.53 N ATOM 0 H LYS A 60 105.758 4.214 -1.610 1.00 0.59 H new ATOM 0 HA LYS A 60 106.489 4.320 1.248 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.697 3.925 0.143 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.197 4.801 1.577 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.396 6.468 0.037 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.662 5.649 -1.327 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.387 6.099 -0.397 1.00 1.29 H new ATOM 0 HD3 LYS A 60 103.100 6.875 1.004 1.00 1.29 H new ATOM 0 HE2 LYS A 60 102.349 8.462 -0.882 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.991 8.691 -0.312 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 103.578 8.517 -2.832 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 104.881 7.646 -2.178 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 103.434 6.846 -2.565 1.00 2.53 H new ATOM 840 N ALA A 61 106.610 1.803 1.459 1.00 0.66 N ATOM 841 CA ALA A 61 106.502 0.354 1.775 1.00 0.76 C ATOM 842 C ALA A 61 105.135 0.073 2.398 1.00 0.77 C ATOM 843 O ALA A 61 104.673 0.798 3.256 1.00 0.78 O ATOM 844 CB ALA A 61 107.600 -0.035 2.762 1.00 0.82 C ATOM 0 H ALA A 61 107.452 2.262 1.805 1.00 0.66 H new ATOM 0 HA ALA A 61 106.614 -0.228 0.860 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.521 -1.097 2.994 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.575 0.168 2.320 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.488 0.546 3.678 1.00 0.82 H new ATOM 850 N GLU A 62 104.482 -0.972 1.972 1.00 0.88 N ATOM 851 CA GLU A 62 103.144 -1.292 2.542 1.00 0.93 C ATOM 852 C GLU A 62 103.305 -1.791 3.980 1.00 0.96 C ATOM 853 O GLU A 62 103.368 -2.978 4.228 1.00 1.43 O ATOM 854 CB GLU A 62 102.474 -2.379 1.698 1.00 1.11 C ATOM 855 CG GLU A 62 102.039 -1.790 0.355 1.00 1.50 C ATOM 856 CD GLU A 62 103.265 -1.274 -0.399 1.00 1.72 C ATOM 857 OE1 GLU A 62 104.244 -1.999 -0.466 1.00 2.30 O ATOM 858 OE2 GLU A 62 103.206 -0.162 -0.898 1.00 2.14 O ATOM 0 H GLU A 62 104.816 -1.617 1.256 1.00 0.88 H new ATOM 0 HA GLU A 62 102.526 -0.394 2.536 1.00 0.93 H new ATOM 0 HB2 GLU A 62 103.165 -3.206 1.537 1.00 1.11 H new ATOM 0 HB3 GLU A 62 101.610 -2.783 2.226 1.00 1.11 H new ATOM 0 HG2 GLU A 62 101.527 -2.548 -0.238 1.00 1.50 H new ATOM 0 HG3 GLU A 62 101.329 -0.978 0.515 1.00 1.50 H new ATOM 865 N ILE A 63 103.366 -0.887 4.925 1.00 0.97 N ATOM 866 CA ILE A 63 103.514 -1.289 6.356 1.00 0.94 C ATOM 867 C ILE A 63 102.332 -2.183 6.747 1.00 1.01 C ATOM 868 O ILE A 63 101.250 -2.052 6.209 1.00 1.06 O ATOM 869 CB ILE A 63 103.533 -0.023 7.227 1.00 0.89 C ATOM 870 CG1 ILE A 63 103.985 -0.378 8.645 1.00 1.06 C ATOM 871 CG2 ILE A 63 102.135 0.601 7.280 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.230 0.910 9.434 1.00 1.40 C ATOM 0 H ILE A 63 103.319 0.119 4.765 1.00 0.97 H new ATOM 0 HA ILE A 63 104.443 -1.841 6.503 1.00 0.94 H new ATOM 0 HB ILE A 63 104.229 0.694 6.791 1.00 0.89 H new ATOM 0 HG12 ILE A 63 103.226 -0.983 9.141 1.00 1.06 H new ATOM 0 HG13 ILE A 63 104.896 -0.976 8.610 1.00 1.06 H new ATOM 0 HG21 ILE A 63 102.160 1.497 7.900 1.00 1.28 H new ATOM 0 HG22 ILE A 63 101.816 0.866 6.272 1.00 1.28 H new ATOM 0 HG23 ILE A 63 101.433 -0.115 7.706 1.00 1.28 H new ATOM 0 HD11 ILE A 63 104.552 0.662 10.445 1.00 1.40 H new ATOM 0 HD12 ILE A 63 105.004 1.497 8.940 1.00 1.40 H new ATOM 0 HD13 ILE A 63 103.308 1.490 9.479 1.00 1.40 H new ATOM 884 N ALA A 64 102.514 -3.096 7.672 1.00 1.04 N ATOM 885 CA ALA A 64 101.376 -3.981 8.062 1.00 1.13 C ATOM 886 C ALA A 64 101.529 -4.406 9.526 1.00 1.14 C ATOM 887 O ALA A 64 102.446 -5.116 9.880 1.00 1.36 O ATOM 888 CB ALA A 64 101.365 -5.218 7.156 1.00 1.26 C ATOM 0 H ALA A 64 103.390 -3.264 8.167 1.00 1.04 H new ATOM 0 HA ALA A 64 100.436 -3.441 7.948 1.00 1.13 H new ATOM 0 HB1 ALA A 64 100.536 -5.867 7.437 1.00 1.26 H new ATOM 0 HB2 ALA A 64 101.247 -4.908 6.118 1.00 1.26 H new ATOM 0 HB3 ALA A 64 102.304 -5.760 7.268 1.00 1.26 H new ATOM 894 N PHE A 65 100.630 -3.984 10.376 1.00 1.16 N ATOM 895 CA PHE A 65 100.717 -4.370 11.817 1.00 1.16 C ATOM 896 C PHE A 65 99.939 -5.668 12.043 1.00 1.28 C ATOM 897 O PHE A 65 98.772 -5.766 11.717 1.00 1.35 O ATOM 898 CB PHE A 65 100.112 -3.258 12.678 1.00 1.11 C ATOM 899 CG PHE A 65 98.756 -2.879 12.133 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.658 -1.997 11.051 1.00 1.23 C ATOM 901 CD2 PHE A 65 97.596 -3.410 12.711 1.00 1.30 C ATOM 902 CE1 PHE A 65 97.400 -1.644 10.546 1.00 1.37 C ATOM 903 CE2 PHE A 65 96.338 -3.057 12.206 1.00 1.43 C ATOM 904 CZ PHE A 65 96.241 -2.175 11.124 1.00 1.47 C ATOM 0 H PHE A 65 99.838 -3.388 10.135 1.00 1.16 H new ATOM 0 HA PHE A 65 101.761 -4.518 12.093 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.020 -3.593 13.711 1.00 1.11 H new ATOM 0 HB3 PHE A 65 100.770 -2.389 12.683 1.00 1.11 H new ATOM 0 HD1 PHE A 65 99.553 -1.588 10.605 1.00 1.23 H new ATOM 0 HD2 PHE A 65 97.671 -4.091 13.546 1.00 1.30 H new ATOM 0 HE1 PHE A 65 97.324 -0.963 9.711 1.00 1.37 H new ATOM 0 HE2 PHE A 65 95.443 -3.466 12.652 1.00 1.43 H new ATOM 0 HZ PHE A 65 95.271 -1.904 10.734 1.00 1.47 H new ATOM 914 N GLU A 66 100.576 -6.669 12.598 1.00 1.35 N ATOM 915 CA GLU A 66 99.877 -7.968 12.846 1.00 1.50 C ATOM 916 C GLU A 66 100.333 -8.547 14.188 1.00 1.54 C ATOM 917 O GLU A 66 101.430 -9.053 14.316 1.00 1.61 O ATOM 918 CB GLU A 66 100.222 -8.952 11.726 1.00 1.62 C ATOM 919 CG GLU A 66 99.339 -10.196 11.847 1.00 1.80 C ATOM 920 CD GLU A 66 99.587 -11.118 10.651 1.00 1.94 C ATOM 921 OE1 GLU A 66 98.941 -10.922 9.635 1.00 2.51 O ATOM 922 OE2 GLU A 66 100.417 -12.003 10.773 1.00 2.01 O ATOM 0 H GLU A 66 101.553 -6.643 12.891 1.00 1.35 H new ATOM 0 HA GLU A 66 98.800 -7.802 12.869 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.072 -8.480 10.755 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.274 -9.233 11.786 1.00 1.62 H new ATOM 0 HG2 GLU A 66 99.559 -10.722 12.776 1.00 1.80 H new ATOM 0 HG3 GLU A 66 98.289 -9.907 11.885 1.00 1.80 H new ATOM 1006 N SER A 72 103.762 -9.310 20.837 1.00 1.78 N ATOM 1007 CA SER A 72 104.853 -9.056 19.848 1.00 1.72 C ATOM 1008 C SER A 72 104.276 -8.282 18.663 1.00 1.60 C ATOM 1009 O SER A 72 103.510 -8.808 17.880 1.00 1.64 O ATOM 1010 CB SER A 72 105.415 -10.391 19.357 1.00 1.82 C ATOM 1011 OG SER A 72 106.619 -10.157 18.638 1.00 2.20 O ATOM 0 HA SER A 72 105.650 -8.478 20.316 1.00 1.72 H new ATOM 0 HB2 SER A 72 105.605 -11.052 20.203 1.00 1.82 H new ATOM 0 HB3 SER A 72 104.688 -10.892 18.718 1.00 1.82 H new ATOM 0 HG SER A 72 106.983 -11.011 18.323 1.00 2.20 H new ATOM 1017 N CYS A 73 104.628 -7.033 18.529 1.00 1.50 N ATOM 1018 CA CYS A 73 104.087 -6.225 17.399 1.00 1.40 C ATOM 1019 C CYS A 73 104.865 -6.536 16.119 1.00 1.37 C ATOM 1020 O CYS A 73 105.983 -6.097 15.937 1.00 1.39 O ATOM 1021 CB CYS A 73 104.218 -4.736 17.726 1.00 1.31 C ATOM 1022 SG CYS A 73 103.576 -3.757 16.346 1.00 2.05 S ATOM 0 H CYS A 73 105.266 -6.537 19.152 1.00 1.50 H new ATOM 0 HA CYS A 73 103.036 -6.475 17.251 1.00 1.40 H new ATOM 0 HB2 CYS A 73 103.668 -4.503 18.638 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.262 -4.484 17.910 1.00 1.31 H new ATOM 0 HG CYS A 73 103.685 -2.492 16.624 1.00 2.05 H new ATOM 1028 N GLY A 74 104.276 -7.288 15.226 1.00 1.39 N ATOM 1029 CA GLY A 74 104.970 -7.628 13.948 1.00 1.38 C ATOM 1030 C GLY A 74 104.603 -6.591 12.888 1.00 1.28 C ATOM 1031 O GLY A 74 103.458 -6.463 12.502 1.00 1.26 O ATOM 0 H GLY A 74 103.341 -7.683 15.327 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.049 -7.645 14.099 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.679 -8.624 13.616 1.00 1.38 H new ATOM 1035 N VAL A 75 105.569 -5.848 12.417 1.00 1.25 N ATOM 1036 CA VAL A 75 105.291 -4.802 11.376 1.00 1.16 C ATOM 1037 C VAL A 75 105.805 -5.277 10.020 1.00 1.20 C ATOM 1038 O VAL A 75 106.986 -5.227 9.737 1.00 1.25 O ATOM 1039 CB VAL A 75 106.005 -3.510 11.763 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.796 -2.464 10.669 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.432 -2.987 13.083 1.00 1.57 C ATOM 0 H VAL A 75 106.545 -5.917 12.707 1.00 1.25 H new ATOM 0 HA VAL A 75 104.217 -4.627 11.313 1.00 1.16 H new ATOM 0 HB VAL A 75 107.071 -3.705 11.880 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.306 -1.541 10.946 1.00 1.31 H new ATOM 0 HG12 VAL A 75 106.202 -2.835 9.728 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.730 -2.268 10.552 1.00 1.31 H new ATOM 0 HG21 VAL A 75 105.941 -2.064 13.360 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.366 -2.792 12.965 1.00 1.57 H new ATOM 0 HG23 VAL A 75 105.580 -3.732 13.865 1.00 1.57 H new ATOM 1051 N SER A 76 104.921 -5.735 9.173 1.00 1.22 N ATOM 1052 CA SER A 76 105.347 -6.210 7.825 1.00 1.29 C ATOM 1053 C SER A 76 105.342 -5.027 6.858 1.00 1.19 C ATOM 1054 O SER A 76 104.383 -4.291 6.768 1.00 1.20 O ATOM 1055 CB SER A 76 104.379 -7.304 7.339 1.00 1.40 C ATOM 1056 OG SER A 76 104.017 -7.061 5.984 1.00 1.85 O ATOM 0 H SER A 76 103.920 -5.800 9.358 1.00 1.22 H new ATOM 0 HA SER A 76 106.352 -6.629 7.874 1.00 1.29 H new ATOM 0 HB2 SER A 76 104.848 -8.284 7.429 1.00 1.40 H new ATOM 0 HB3 SER A 76 103.488 -7.318 7.966 1.00 1.40 H new ATOM 0 HG SER A 76 103.402 -7.761 5.679 1.00 1.85 H new ATOM 1062 N TYR A 77 106.416 -4.842 6.133 1.00 1.21 N ATOM 1063 CA TYR A 77 106.501 -3.706 5.162 1.00 1.12 C ATOM 1064 C TYR A 77 107.020 -4.232 3.822 1.00 1.20 C ATOM 1065 O TYR A 77 108.058 -4.860 3.750 1.00 1.43 O ATOM 1066 CB TYR A 77 107.440 -2.618 5.719 1.00 1.07 C ATOM 1067 CG TYR A 77 108.895 -3.038 5.588 1.00 1.14 C ATOM 1068 CD1 TYR A 77 109.360 -4.178 6.252 1.00 1.33 C ATOM 1069 CD2 TYR A 77 109.779 -2.280 4.805 1.00 1.18 C ATOM 1070 CE1 TYR A 77 110.699 -4.563 6.134 1.00 1.47 C ATOM 1071 CE2 TYR A 77 111.119 -2.667 4.688 1.00 1.28 C ATOM 1072 CZ TYR A 77 111.579 -3.809 5.352 1.00 1.39 C ATOM 1073 OH TYR A 77 112.900 -4.189 5.237 1.00 1.54 O ATOM 0 H TYR A 77 107.246 -5.434 6.172 1.00 1.21 H new ATOM 0 HA TYR A 77 105.514 -3.267 5.013 1.00 1.12 H new ATOM 0 HB2 TYR A 77 107.278 -1.683 5.183 1.00 1.07 H new ATOM 0 HB3 TYR A 77 107.204 -2.430 6.767 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.683 -4.762 6.857 1.00 1.33 H new ATOM 0 HD2 TYR A 77 109.425 -1.398 4.292 1.00 1.18 H new ATOM 0 HE1 TYR A 77 111.054 -5.444 6.648 1.00 1.47 H new ATOM 0 HE2 TYR A 77 111.798 -2.083 4.085 1.00 1.28 H new ATOM 0 HH TYR A 77 113.350 -4.074 6.100 1.00 1.54 H new ATOM 1083 N VAL A 78 106.296 -3.987 2.759 1.00 1.13 N ATOM 1084 CA VAL A 78 106.730 -4.478 1.414 1.00 1.21 C ATOM 1085 C VAL A 78 107.393 -3.335 0.647 1.00 1.14 C ATOM 1086 O VAL A 78 106.732 -2.453 0.136 1.00 1.11 O ATOM 1087 CB VAL A 78 105.507 -4.969 0.637 1.00 1.29 C ATOM 1088 CG1 VAL A 78 105.962 -5.785 -0.576 1.00 1.81 C ATOM 1089 CG2 VAL A 78 104.638 -5.844 1.547 1.00 1.90 C ATOM 0 H VAL A 78 105.419 -3.466 2.764 1.00 1.13 H new ATOM 0 HA VAL A 78 107.440 -5.296 1.534 1.00 1.21 H new ATOM 0 HB VAL A 78 104.927 -4.111 0.298 1.00 1.29 H new ATOM 0 HG11 VAL A 78 105.089 -6.134 -1.128 1.00 1.81 H new ATOM 0 HG12 VAL A 78 106.576 -5.161 -1.225 1.00 1.81 H new ATOM 0 HG13 VAL A 78 106.545 -6.642 -0.240 1.00 1.81 H new ATOM 0 HG21 VAL A 78 103.767 -6.193 0.992 1.00 1.90 H new ATOM 0 HG22 VAL A 78 105.218 -6.701 1.889 1.00 1.90 H new ATOM 0 HG23 VAL A 78 104.310 -5.261 2.408 1.00 1.90 H new ATOM 1099 N VAL A 79 108.693 -3.342 0.559 1.00 1.17 N ATOM 1100 CA VAL A 79 109.388 -2.252 -0.176 1.00 1.11 C ATOM 1101 C VAL A 79 109.103 -2.389 -1.671 1.00 1.15 C ATOM 1102 O VAL A 79 108.712 -3.438 -2.139 1.00 1.24 O ATOM 1103 CB VAL A 79 110.894 -2.350 0.070 1.00 1.14 C ATOM 1104 CG1 VAL A 79 111.190 -2.058 1.546 1.00 1.13 C ATOM 1105 CG2 VAL A 79 111.373 -3.762 -0.279 1.00 1.27 C ATOM 0 H VAL A 79 109.302 -4.053 0.963 1.00 1.17 H new ATOM 0 HA VAL A 79 109.027 -1.286 0.176 1.00 1.11 H new ATOM 0 HB VAL A 79 111.415 -1.624 -0.554 1.00 1.14 H new ATOM 0 HG11 VAL A 79 112.263 -2.128 1.723 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.846 -1.054 1.794 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.672 -2.785 2.172 1.00 1.13 H new ATOM 0 HG21 VAL A 79 112.446 -3.835 -0.105 1.00 1.27 H new ATOM 0 HG22 VAL A 79 110.853 -4.488 0.347 1.00 1.27 H new ATOM 0 HG23 VAL A 79 111.161 -3.969 -1.328 1.00 1.27 H new ATOM 1115 N GLN A 80 109.286 -1.335 -2.426 1.00 1.10 N ATOM 1116 CA GLN A 80 109.012 -1.400 -3.897 1.00 1.15 C ATOM 1117 C GLN A 80 110.317 -1.564 -4.681 1.00 1.17 C ATOM 1118 O GLN A 80 110.417 -2.401 -5.556 1.00 1.25 O ATOM 1119 CB GLN A 80 108.323 -0.106 -4.339 1.00 1.11 C ATOM 1120 CG GLN A 80 107.682 -0.307 -5.715 1.00 1.18 C ATOM 1121 CD GLN A 80 106.420 -1.160 -5.572 1.00 1.80 C ATOM 1122 OE1 GLN A 80 106.005 -1.473 -4.474 1.00 2.47 O ATOM 1123 NE2 GLN A 80 105.789 -1.552 -6.645 1.00 2.48 N ATOM 0 H GLN A 80 109.614 -0.430 -2.088 1.00 1.10 H new ATOM 0 HA GLN A 80 108.370 -2.258 -4.096 1.00 1.15 H new ATOM 0 HB2 GLN A 80 107.563 0.180 -3.611 1.00 1.11 H new ATOM 0 HB3 GLN A 80 109.047 0.708 -4.380 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.433 0.658 -6.156 1.00 1.18 H new ATOM 0 HG3 GLN A 80 108.388 -0.793 -6.389 1.00 1.18 H new ATOM 0 HE21 GLN A 80 106.138 -1.289 -7.567 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.947 -2.121 -6.562 1.00 2.48 H new ATOM 1132 N GLU A 81 111.319 -0.764 -4.398 1.00 1.11 N ATOM 1133 CA GLU A 81 112.601 -0.888 -5.169 1.00 1.13 C ATOM 1134 C GLU A 81 113.800 -0.354 -4.343 1.00 1.07 C ATOM 1135 O GLU A 81 113.628 0.509 -3.506 1.00 0.98 O ATOM 1136 CB GLU A 81 112.488 -0.108 -6.500 1.00 1.11 C ATOM 1137 CG GLU A 81 111.402 0.952 -6.374 1.00 1.43 C ATOM 1138 CD GLU A 81 111.396 1.837 -7.622 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.838 1.370 -8.658 1.00 1.92 O ATOM 1140 OE2 GLU A 81 110.949 2.968 -7.519 1.00 1.65 O ATOM 0 H GLU A 81 111.308 -0.041 -3.678 1.00 1.11 H new ATOM 0 HA GLU A 81 112.775 -1.943 -5.380 1.00 1.13 H new ATOM 0 HB2 GLU A 81 113.442 0.360 -6.742 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.252 -0.791 -7.316 1.00 1.11 H new ATOM 0 HG2 GLU A 81 110.429 0.476 -6.249 1.00 1.43 H new ATOM 0 HG3 GLU A 81 111.576 1.560 -5.486 1.00 1.43 H new ATOM 1147 N PRO A 82 114.988 -0.881 -4.618 1.00 1.14 N ATOM 1148 CA PRO A 82 116.229 -0.474 -3.934 1.00 1.14 C ATOM 1149 C PRO A 82 116.307 1.013 -3.649 1.00 1.00 C ATOM 1150 O PRO A 82 115.593 1.825 -4.205 1.00 0.91 O ATOM 1151 CB PRO A 82 117.339 -0.916 -4.891 1.00 1.23 C ATOM 1152 CG PRO A 82 116.748 -2.100 -5.672 1.00 1.30 C ATOM 1153 CD PRO A 82 115.215 -1.941 -5.626 1.00 1.26 C ATOM 0 HA PRO A 82 116.300 -0.930 -2.947 1.00 1.14 H new ATOM 0 HB2 PRO A 82 117.627 -0.106 -5.561 1.00 1.23 H new ATOM 0 HB3 PRO A 82 118.235 -1.212 -4.345 1.00 1.23 H new ATOM 0 HG2 PRO A 82 117.106 -2.102 -6.702 1.00 1.30 H new ATOM 0 HG3 PRO A 82 117.052 -3.047 -5.227 1.00 1.30 H new ATOM 0 HD2 PRO A 82 114.815 -1.657 -6.599 1.00 1.26 H new ATOM 0 HD3 PRO A 82 114.727 -2.873 -5.341 1.00 1.26 H new ATOM 1161 N GLY A 83 117.197 1.352 -2.766 1.00 0.99 N ATOM 1162 CA GLY A 83 117.392 2.778 -2.381 1.00 0.89 C ATOM 1163 C GLY A 83 117.798 2.849 -0.911 1.00 0.92 C ATOM 1164 O GLY A 83 118.218 1.869 -0.327 1.00 1.02 O ATOM 0 H GLY A 83 117.809 0.693 -2.285 1.00 0.99 H new ATOM 0 HA2 GLY A 83 118.160 3.234 -3.005 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.473 3.340 -2.545 1.00 0.89 H new ATOM 1168 N ASP A 84 117.669 4.003 -0.310 1.00 0.87 N ATOM 1169 CA ASP A 84 118.037 4.164 1.130 1.00 0.93 C ATOM 1170 C ASP A 84 116.766 4.399 1.943 1.00 0.83 C ATOM 1171 O ASP A 84 116.348 5.521 2.144 1.00 0.76 O ATOM 1172 CB ASP A 84 118.963 5.373 1.283 1.00 0.98 C ATOM 1173 CG ASP A 84 120.114 5.264 0.282 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.743 4.220 0.243 1.00 2.06 O ATOM 1175 OD2 ASP A 84 120.347 6.228 -0.429 1.00 2.13 O ATOM 0 H ASP A 84 117.321 4.850 -0.759 1.00 0.87 H new ATOM 0 HA ASP A 84 118.545 3.267 1.485 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.406 6.295 1.114 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.354 5.419 2.299 1.00 0.98 H new ATOM 1180 N TYR A 85 116.149 3.353 2.417 1.00 0.84 N ATOM 1181 CA TYR A 85 114.911 3.528 3.221 1.00 0.76 C ATOM 1182 C TYR A 85 115.319 3.969 4.627 1.00 0.80 C ATOM 1183 O TYR A 85 116.164 3.368 5.256 1.00 0.92 O ATOM 1184 CB TYR A 85 114.136 2.196 3.267 1.00 0.80 C ATOM 1185 CG TYR A 85 113.045 2.186 2.220 1.00 0.73 C ATOM 1186 CD1 TYR A 85 111.824 2.815 2.482 1.00 0.64 C ATOM 1187 CD2 TYR A 85 113.256 1.547 0.994 1.00 0.78 C ATOM 1188 CE1 TYR A 85 110.813 2.807 1.519 1.00 0.61 C ATOM 1189 CE2 TYR A 85 112.246 1.536 0.028 1.00 0.75 C ATOM 1190 CZ TYR A 85 111.022 2.167 0.289 1.00 0.67 C ATOM 1191 OH TYR A 85 110.024 2.156 -0.663 1.00 0.68 O ATOM 0 H TYR A 85 116.449 2.387 2.282 1.00 0.84 H new ATOM 0 HA TYR A 85 114.262 4.282 2.777 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.819 1.364 3.097 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.701 2.055 4.256 1.00 0.80 H new ATOM 0 HD1 TYR A 85 111.663 3.307 3.430 1.00 0.64 H new ATOM 0 HD2 TYR A 85 114.200 1.062 0.794 1.00 0.78 H new ATOM 0 HE1 TYR A 85 109.870 3.294 1.721 1.00 0.61 H new ATOM 0 HE2 TYR A 85 112.409 1.042 -0.918 1.00 0.75 H new ATOM 0 HH TYR A 85 109.161 2.337 -0.235 1.00 0.68 H new ATOM 1201 N GLU A 86 114.727 5.026 5.106 1.00 0.73 N ATOM 1202 CA GLU A 86 115.061 5.563 6.466 1.00 0.78 C ATOM 1203 C GLU A 86 113.848 5.369 7.372 1.00 0.74 C ATOM 1204 O GLU A 86 112.747 5.724 7.015 1.00 0.68 O ATOM 1205 CB GLU A 86 115.417 7.079 6.370 1.00 0.78 C ATOM 1206 CG GLU A 86 115.495 7.531 4.902 1.00 0.72 C ATOM 1207 CD GLU A 86 116.774 6.982 4.269 1.00 0.85 C ATOM 1208 OE1 GLU A 86 117.169 5.887 4.633 1.00 1.26 O ATOM 1209 OE2 GLU A 86 117.337 7.666 3.431 1.00 1.53 O ATOM 0 H GLU A 86 114.011 5.554 4.607 1.00 0.73 H new ATOM 0 HA GLU A 86 115.921 5.033 6.874 1.00 0.78 H new ATOM 0 HB2 GLU A 86 114.666 7.667 6.897 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.371 7.265 6.863 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.623 7.175 4.354 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.486 8.619 4.844 1.00 0.72 H new ATOM 1216 N VAL A 87 114.044 4.802 8.534 1.00 0.81 N ATOM 1217 CA VAL A 87 112.905 4.568 9.472 1.00 0.78 C ATOM 1218 C VAL A 87 113.205 5.208 10.830 1.00 0.86 C ATOM 1219 O VAL A 87 114.310 5.124 11.345 1.00 0.99 O ATOM 1220 CB VAL A 87 112.719 3.062 9.628 1.00 0.84 C ATOM 1221 CG1 VAL A 87 113.882 2.469 10.428 1.00 1.00 C ATOM 1222 CG2 VAL A 87 111.401 2.779 10.351 1.00 0.83 C ATOM 0 H VAL A 87 114.952 4.488 8.876 1.00 0.81 H new ATOM 0 HA VAL A 87 111.994 5.018 9.078 1.00 0.78 H new ATOM 0 HB VAL A 87 112.697 2.603 8.640 1.00 0.84 H new ATOM 0 HG11 VAL A 87 113.740 1.394 10.534 1.00 1.00 H new ATOM 0 HG12 VAL A 87 114.819 2.661 9.905 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.916 2.929 11.415 1.00 1.00 H new ATOM 0 HG21 VAL A 87 111.270 1.702 10.461 1.00 0.83 H new ATOM 0 HG22 VAL A 87 111.419 3.245 11.336 1.00 0.83 H new ATOM 0 HG23 VAL A 87 110.573 3.187 9.771 1.00 0.83 H new ATOM 1232 N SER A 88 112.215 5.850 11.407 1.00 0.81 N ATOM 1233 CA SER A 88 112.389 6.517 12.736 1.00 0.91 C ATOM 1234 C SER A 88 111.313 6.017 13.700 1.00 0.87 C ATOM 1235 O SER A 88 110.170 6.417 13.622 1.00 0.84 O ATOM 1236 CB SER A 88 112.256 8.031 12.568 1.00 0.94 C ATOM 1237 OG SER A 88 112.288 8.649 13.848 1.00 1.59 O ATOM 0 H SER A 88 111.281 5.940 11.006 1.00 0.81 H new ATOM 0 HA SER A 88 113.375 6.280 13.135 1.00 0.91 H new ATOM 0 HB2 SER A 88 113.066 8.412 11.947 1.00 0.94 H new ATOM 0 HB3 SER A 88 111.323 8.272 12.058 1.00 0.94 H new ATOM 0 HG SER A 88 112.333 9.622 13.740 1.00 1.59 H new ATOM 1243 N ILE A 89 111.672 5.136 14.606 1.00 0.99 N ATOM 1244 CA ILE A 89 110.677 4.583 15.582 1.00 0.98 C ATOM 1245 C ILE A 89 110.983 5.090 16.995 1.00 1.08 C ATOM 1246 O ILE A 89 112.110 5.053 17.449 1.00 1.20 O ATOM 1247 CB ILE A 89 110.736 3.040 15.532 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.819 2.495 16.489 1.00 1.19 C ATOM 1249 CG2 ILE A 89 111.056 2.596 14.099 1.00 1.00 C ATOM 1250 CD1 ILE A 89 112.074 1.007 16.211 1.00 1.29 C ATOM 0 H ILE A 89 112.620 4.774 14.711 1.00 0.99 H new ATOM 0 HA ILE A 89 109.674 4.916 15.316 1.00 0.98 H new ATOM 0 HB ILE A 89 109.770 2.645 15.845 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.743 3.059 16.363 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.502 2.630 17.523 1.00 1.19 H new ATOM 0 HG21 ILE A 89 111.099 1.508 14.056 1.00 1.00 H new ATOM 0 HG22 ILE A 89 110.278 2.955 13.425 1.00 1.00 H new ATOM 0 HG23 ILE A 89 112.018 3.009 13.796 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.839 0.636 16.892 1.00 1.29 H new ATOM 0 HD12 ILE A 89 111.152 0.446 16.360 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.412 0.882 15.182 1.00 1.29 H new ATOM 1262 N LYS A 90 109.981 5.557 17.696 1.00 1.05 N ATOM 1263 CA LYS A 90 110.191 6.062 19.080 1.00 1.16 C ATOM 1264 C LYS A 90 109.018 5.646 19.970 1.00 1.11 C ATOM 1265 O LYS A 90 107.875 5.915 19.654 1.00 1.01 O ATOM 1266 CB LYS A 90 110.257 7.587 19.049 1.00 1.22 C ATOM 1267 CG LYS A 90 108.898 8.162 18.583 1.00 1.15 C ATOM 1268 CD LYS A 90 109.113 9.476 17.807 1.00 1.34 C ATOM 1269 CE LYS A 90 109.698 9.191 16.409 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.183 9.317 16.458 1.00 1.58 N ATOM 0 H LYS A 90 109.019 5.609 17.362 1.00 1.05 H new ATOM 0 HA LYS A 90 111.118 5.646 19.475 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.504 7.970 20.039 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.050 7.912 18.375 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.386 7.437 17.950 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.256 8.342 19.445 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.166 10.006 17.710 1.00 1.34 H new ATOM 0 HD3 LYS A 90 109.787 10.127 18.363 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.418 8.189 16.083 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.287 9.890 15.681 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.536 9.630 15.531 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.449 10.014 17.183 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.602 8.395 16.694 1.00 1.58 H new ATOM 1284 N PHE A 91 109.282 5.016 21.093 1.00 1.21 N ATOM 1285 CA PHE A 91 108.160 4.620 21.995 1.00 1.18 C ATOM 1286 C PHE A 91 107.773 5.829 22.845 1.00 1.22 C ATOM 1287 O PHE A 91 108.363 6.088 23.869 1.00 1.34 O ATOM 1288 CB PHE A 91 108.602 3.476 22.910 1.00 1.29 C ATOM 1289 CG PHE A 91 107.396 2.925 23.636 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.563 1.997 23.001 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.109 3.342 24.943 1.00 1.32 C ATOM 1292 CE1 PHE A 91 105.446 1.485 23.671 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.990 2.829 25.613 1.00 1.29 C ATOM 1294 CZ PHE A 91 105.160 1.900 24.977 1.00 1.24 C ATOM 0 H PHE A 91 110.215 4.763 21.418 1.00 1.21 H new ATOM 0 HA PHE A 91 107.310 4.286 21.400 1.00 1.18 H new ATOM 0 HB2 PHE A 91 109.079 2.690 22.325 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.341 3.833 23.627 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.782 1.676 21.993 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.750 4.059 25.434 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.804 0.769 23.180 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.769 3.151 26.620 1.00 1.29 H new ATOM 0 HZ PHE A 91 104.299 1.503 25.493 1.00 1.24 H new ATOM 1304 N ASN A 92 106.799 6.581 22.419 1.00 1.15 N ATOM 1305 CA ASN A 92 106.394 7.785 23.196 1.00 1.23 C ATOM 1306 C ASN A 92 107.518 8.818 23.091 1.00 1.32 C ATOM 1307 O ASN A 92 107.816 9.523 24.032 1.00 1.42 O ATOM 1308 CB ASN A 92 106.148 7.404 24.670 1.00 1.32 C ATOM 1309 CG ASN A 92 105.127 8.362 25.294 1.00 1.74 C ATOM 1310 OD1 ASN A 92 103.967 8.353 24.930 1.00 2.32 O ATOM 1311 ND2 ASN A 92 105.511 9.193 26.223 1.00 2.24 N ATOM 0 H ASN A 92 106.265 6.415 21.566 1.00 1.15 H new ATOM 0 HA ASN A 92 105.469 8.201 22.797 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.784 6.379 24.734 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.085 7.444 25.226 1.00 1.32 H new ATOM 0 HD21 ASN A 92 104.838 9.834 26.643 1.00 2.24 H new ATOM 0 HD22 ASN A 92 106.484 9.201 26.529 1.00 2.24 H new ATOM 1318 N ASP A 93 108.136 8.894 21.938 1.00 1.28 N ATOM 1319 CA ASP A 93 109.255 9.863 21.704 1.00 1.37 C ATOM 1320 C ASP A 93 110.583 9.296 22.210 1.00 1.45 C ATOM 1321 O ASP A 93 111.558 10.012 22.322 1.00 1.53 O ATOM 1322 CB ASP A 93 108.984 11.209 22.385 1.00 1.46 C ATOM 1323 CG ASP A 93 107.500 11.562 22.267 1.00 1.46 C ATOM 1324 OD1 ASP A 93 106.955 11.397 21.188 1.00 1.83 O ATOM 1325 OD2 ASP A 93 106.934 11.993 23.258 1.00 1.92 O ATOM 0 H ASP A 93 107.908 8.313 21.131 1.00 1.28 H new ATOM 0 HA ASP A 93 109.319 10.024 20.628 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.273 11.160 23.435 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.590 11.989 21.924 1.00 1.46 H new ATOM 1330 N GLU A 94 110.651 8.015 22.481 1.00 1.43 N ATOM 1331 CA GLU A 94 111.946 7.422 22.937 1.00 1.53 C ATOM 1332 C GLU A 94 112.686 6.941 21.675 1.00 1.52 C ATOM 1333 O GLU A 94 112.507 5.853 21.187 1.00 1.48 O ATOM 1334 CB GLU A 94 111.658 6.302 23.990 1.00 1.56 C ATOM 1335 CG GLU A 94 112.012 4.879 23.516 1.00 1.95 C ATOM 1336 CD GLU A 94 113.520 4.762 23.255 1.00 1.88 C ATOM 1337 OE1 GLU A 94 114.228 5.710 23.551 1.00 2.24 O ATOM 1338 OE2 GLU A 94 113.937 3.734 22.749 1.00 2.25 O ATOM 0 H GLU A 94 109.873 7.360 22.407 1.00 1.43 H new ATOM 0 HA GLU A 94 112.591 8.137 23.448 1.00 1.53 H new ATOM 0 HB2 GLU A 94 112.220 6.520 24.898 1.00 1.56 H new ATOM 0 HB3 GLU A 94 110.601 6.332 24.255 1.00 1.56 H new ATOM 0 HG2 GLU A 94 111.709 4.152 24.270 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.460 4.644 22.606 1.00 1.95 H new ATOM 1345 N HIS A 95 113.491 7.784 21.102 1.00 1.59 N ATOM 1346 CA HIS A 95 114.196 7.391 19.851 1.00 1.59 C ATOM 1347 C HIS A 95 115.224 6.295 20.141 1.00 1.71 C ATOM 1348 O HIS A 95 116.380 6.571 20.396 1.00 1.86 O ATOM 1349 CB HIS A 95 114.908 8.611 19.265 1.00 1.65 C ATOM 1350 CG HIS A 95 115.889 9.149 20.270 1.00 1.94 C ATOM 1351 ND1 HIS A 95 115.714 9.817 21.456 1.00 2.24 N flip ATOM 1352 CD2 HIS A 95 117.260 9.022 20.107 1.00 2.62 C flip ATOM 1353 CE1 HIS A 95 116.953 10.101 22.022 1.00 2.68 C flip ATOM 1354 NE2 HIS A 95 117.850 9.601 21.169 1.00 2.88 N flip ATOM 0 H HIS A 95 113.693 8.725 21.441 1.00 1.59 H new ATOM 0 HA HIS A 95 113.464 7.010 19.138 1.00 1.59 H new ATOM 0 HB2 HIS A 95 115.426 8.337 18.346 1.00 1.65 H new ATOM 0 HB3 HIS A 95 114.180 9.379 19.004 1.00 1.65 H new ATOM 0 HD2 HIS A 95 117.763 8.545 19.279 1.00 2.62 H new ATOM 0 HE1 HIS A 95 117.147 10.615 22.952 1.00 2.68 H new ATOM 0 HE2 HIS A 95 118.860 9.652 21.306 1.00 2.88 H new ATOM 1362 N ILE A 96 114.822 5.050 20.080 1.00 1.67 N ATOM 1363 CA ILE A 96 115.791 3.937 20.325 1.00 1.82 C ATOM 1364 C ILE A 96 117.058 4.219 19.470 1.00 1.88 C ATOM 1365 O ILE A 96 116.923 4.632 18.333 1.00 1.77 O ATOM 1366 CB ILE A 96 115.115 2.616 19.899 1.00 1.82 C ATOM 1367 CG1 ILE A 96 116.082 1.423 20.066 1.00 1.98 C ATOM 1368 CG2 ILE A 96 114.660 2.738 18.441 1.00 2.35 C ATOM 1369 CD1 ILE A 96 115.506 0.172 19.396 1.00 2.27 C ATOM 0 H ILE A 96 113.868 4.756 19.872 1.00 1.67 H new ATOM 0 HA ILE A 96 116.078 3.863 21.374 1.00 1.82 H new ATOM 0 HB ILE A 96 114.251 2.432 20.538 1.00 1.82 H new ATOM 0 HG12 ILE A 96 117.049 1.666 19.626 1.00 1.98 H new ATOM 0 HG13 ILE A 96 116.253 1.230 21.125 1.00 1.98 H new ATOM 0 HG21 ILE A 96 114.181 1.809 18.130 1.00 2.35 H new ATOM 0 HG22 ILE A 96 113.951 3.561 18.349 1.00 2.35 H new ATOM 0 HG23 ILE A 96 115.524 2.931 17.805 1.00 2.35 H new ATOM 0 HD11 ILE A 96 116.199 -0.660 19.522 1.00 2.27 H new ATOM 0 HD12 ILE A 96 114.550 -0.079 19.855 1.00 2.27 H new ATOM 0 HD13 ILE A 96 115.359 0.364 18.333 1.00 2.27 H new ATOM 1381 N PRO A 97 118.254 4.026 20.018 1.00 2.08 N ATOM 1382 CA PRO A 97 119.497 4.309 19.269 1.00 2.18 C ATOM 1383 C PRO A 97 119.394 3.859 17.806 1.00 2.06 C ATOM 1384 O PRO A 97 119.857 4.542 16.914 1.00 2.32 O ATOM 1385 CB PRO A 97 120.595 3.554 20.042 1.00 2.43 C ATOM 1386 CG PRO A 97 120.006 3.212 21.441 1.00 2.48 C ATOM 1387 CD PRO A 97 118.487 3.508 21.386 1.00 2.25 C ATOM 0 HA PRO A 97 119.711 5.376 19.209 1.00 2.18 H new ATOM 0 HB2 PRO A 97 120.886 2.647 19.513 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.491 4.167 20.139 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.185 2.165 21.688 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.486 3.809 22.216 1.00 2.48 H new ATOM 0 HD2 PRO A 97 117.901 2.608 21.574 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.199 4.239 22.141 1.00 2.25 H new ATOM 1395 N ASP A 98 118.789 2.734 17.538 1.00 2.10 N ATOM 1396 CA ASP A 98 118.667 2.288 16.118 1.00 1.98 C ATOM 1397 C ASP A 98 118.137 3.437 15.276 1.00 1.76 C ATOM 1398 O ASP A 98 118.818 3.954 14.418 1.00 1.73 O ATOM 1399 CB ASP A 98 117.704 1.100 16.022 1.00 1.95 C ATOM 1400 CG ASP A 98 118.258 -0.072 16.833 1.00 2.28 C ATOM 1401 OD1 ASP A 98 119.106 -0.778 16.313 1.00 2.65 O ATOM 1402 OD2 ASP A 98 117.825 -0.245 17.960 1.00 2.64 O ATOM 0 H ASP A 98 118.377 2.109 18.231 1.00 2.10 H new ATOM 0 HA ASP A 98 119.647 1.982 15.752 1.00 1.98 H new ATOM 0 HB2 ASP A 98 116.721 1.384 16.398 1.00 1.95 H new ATOM 0 HB3 ASP A 98 117.574 0.806 14.980 1.00 1.95 H new ATOM 1407 N SER A 99 116.928 3.836 15.501 1.00 1.67 N ATOM 1408 CA SER A 99 116.359 4.938 14.688 1.00 1.48 C ATOM 1409 C SER A 99 117.059 6.266 15.034 1.00 1.62 C ATOM 1410 O SER A 99 117.428 6.470 16.173 1.00 1.87 O ATOM 1411 CB SER A 99 114.860 5.033 14.999 1.00 1.48 C ATOM 1412 OG SER A 99 114.620 4.444 16.264 1.00 2.00 O ATOM 0 H SER A 99 116.306 3.450 16.211 1.00 1.67 H new ATOM 0 HA SER A 99 116.510 4.741 13.627 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.540 6.075 15.001 1.00 1.48 H new ATOM 0 HB3 SER A 99 114.281 4.523 14.229 1.00 1.48 H new ATOM 0 HG SER A 99 113.796 4.812 16.645 1.00 2.00 H new ATOM 1418 N PRO A 100 117.190 7.160 14.065 1.00 1.55 N ATOM 1419 CA PRO A 100 116.756 6.966 12.652 1.00 1.33 C ATOM 1420 C PRO A 100 117.865 6.224 11.867 1.00 1.33 C ATOM 1421 O PRO A 100 118.914 6.793 11.634 1.00 1.47 O ATOM 1422 CB PRO A 100 116.621 8.410 12.116 1.00 1.43 C ATOM 1423 CG PRO A 100 117.404 9.335 13.094 1.00 1.74 C ATOM 1424 CD PRO A 100 117.766 8.489 14.336 1.00 1.79 C ATOM 0 HA PRO A 100 115.839 6.384 12.558 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.026 8.486 11.107 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.573 8.705 12.062 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.304 9.723 12.618 1.00 1.74 H new ATOM 0 HG3 PRO A 100 116.797 10.195 13.378 1.00 1.74 H new ATOM 0 HD2 PRO A 100 118.846 8.432 14.475 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.350 8.923 15.245 1.00 1.79 H new ATOM 1432 N PHE A 101 117.660 4.982 11.436 1.00 1.25 N ATOM 1433 CA PHE A 101 118.751 4.274 10.645 1.00 1.36 C ATOM 1434 C PHE A 101 118.271 3.974 9.222 1.00 1.24 C ATOM 1435 O PHE A 101 117.106 4.107 8.903 1.00 1.16 O ATOM 1436 CB PHE A 101 119.220 2.983 11.339 1.00 1.55 C ATOM 1437 CG PHE A 101 118.156 1.910 11.328 1.00 1.46 C ATOM 1438 CD1 PHE A 101 117.173 1.893 12.316 1.00 1.50 C ATOM 1439 CD2 PHE A 101 118.178 0.911 10.353 1.00 1.78 C ATOM 1440 CE1 PHE A 101 116.208 0.889 12.334 1.00 1.83 C ATOM 1441 CE2 PHE A 101 117.209 -0.097 10.365 1.00 2.18 C ATOM 1442 CZ PHE A 101 116.224 -0.109 11.357 1.00 2.19 C ATOM 0 H PHE A 101 116.810 4.440 11.592 1.00 1.25 H new ATOM 0 HA PHE A 101 119.607 4.947 10.596 1.00 1.36 H new ATOM 0 HB2 PHE A 101 120.115 2.610 10.842 1.00 1.55 H new ATOM 0 HB3 PHE A 101 119.498 3.207 12.369 1.00 1.55 H new ATOM 0 HD1 PHE A 101 117.160 2.664 13.073 1.00 1.50 H new ATOM 0 HD2 PHE A 101 118.943 0.917 9.590 1.00 1.78 H new ATOM 0 HE1 PHE A 101 115.449 0.882 13.102 1.00 1.83 H new ATOM 0 HE2 PHE A 101 117.222 -0.867 9.608 1.00 2.18 H new ATOM 0 HZ PHE A 101 115.477 -0.889 11.368 1.00 2.19 H new ATOM 1452 N VAL A 102 119.184 3.610 8.350 1.00 1.28 N ATOM 1453 CA VAL A 102 118.821 3.345 6.922 1.00 1.21 C ATOM 1454 C VAL A 102 118.572 1.854 6.672 1.00 1.23 C ATOM 1455 O VAL A 102 119.179 0.995 7.277 1.00 1.34 O ATOM 1456 CB VAL A 102 119.968 3.819 6.025 1.00 1.31 C ATOM 1457 CG1 VAL A 102 121.259 3.094 6.413 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.633 3.516 4.563 1.00 1.29 C ATOM 0 H VAL A 102 120.172 3.485 8.570 1.00 1.28 H new ATOM 0 HA VAL A 102 117.902 3.885 6.695 1.00 1.21 H new ATOM 0 HB VAL A 102 120.104 4.893 6.152 1.00 1.31 H new ATOM 0 HG11 VAL A 102 122.073 3.433 5.773 1.00 1.44 H new ATOM 0 HG12 VAL A 102 121.500 3.312 7.453 1.00 1.44 H new ATOM 0 HG13 VAL A 102 121.124 2.019 6.289 1.00 1.44 H new ATOM 0 HG21 VAL A 102 120.450 3.854 3.925 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.494 2.442 4.437 1.00 1.29 H new ATOM 0 HG23 VAL A 102 118.716 4.036 4.284 1.00 1.29 H new ATOM 1468 N VAL A 103 117.683 1.555 5.756 1.00 1.15 N ATOM 1469 CA VAL A 103 117.361 0.135 5.406 1.00 1.19 C ATOM 1470 C VAL A 103 117.636 -0.067 3.899 1.00 1.19 C ATOM 1471 O VAL A 103 116.745 0.105 3.095 1.00 1.10 O ATOM 1472 CB VAL A 103 115.875 -0.114 5.687 1.00 1.11 C ATOM 1473 CG1 VAL A 103 115.469 -1.499 5.165 1.00 1.18 C ATOM 1474 CG2 VAL A 103 115.624 -0.046 7.198 1.00 1.14 C ATOM 0 H VAL A 103 117.157 2.249 5.226 1.00 1.15 H new ATOM 0 HA VAL A 103 117.968 -0.554 5.993 1.00 1.19 H new ATOM 0 HB VAL A 103 115.282 0.648 5.181 1.00 1.11 H new ATOM 0 HG11 VAL A 103 114.412 -1.669 5.368 1.00 1.18 H new ATOM 0 HG12 VAL A 103 115.644 -1.549 4.090 1.00 1.18 H new ATOM 0 HG13 VAL A 103 116.062 -2.265 5.665 1.00 1.18 H new ATOM 0 HG21 VAL A 103 114.568 -0.223 7.400 1.00 1.14 H new ATOM 0 HG22 VAL A 103 116.222 -0.806 7.701 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.904 0.940 7.569 1.00 1.14 H new ATOM 1484 N PRO A 104 118.864 -0.385 3.539 1.00 1.29 N ATOM 1485 CA PRO A 104 119.229 -0.555 2.116 1.00 1.30 C ATOM 1486 C PRO A 104 118.460 -1.716 1.455 1.00 1.33 C ATOM 1487 O PRO A 104 118.659 -2.873 1.771 1.00 1.44 O ATOM 1488 CB PRO A 104 120.755 -0.826 2.128 1.00 1.42 C ATOM 1489 CG PRO A 104 121.231 -0.757 3.608 1.00 1.49 C ATOM 1490 CD PRO A 104 119.976 -0.593 4.492 1.00 1.41 C ATOM 0 HA PRO A 104 118.970 0.326 1.529 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.974 -1.804 1.700 1.00 1.42 H new ATOM 0 HB3 PRO A 104 121.280 -0.088 1.522 1.00 1.42 H new ATOM 0 HG2 PRO A 104 121.775 -1.662 3.878 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.914 0.080 3.752 1.00 1.49 H new ATOM 0 HD2 PRO A 104 119.808 -1.476 5.108 1.00 1.41 H new ATOM 0 HD3 PRO A 104 120.079 0.254 5.171 1.00 1.41 H new ATOM 1498 N VAL A 105 117.610 -1.403 0.507 1.00 1.25 N ATOM 1499 CA VAL A 105 116.853 -2.464 -0.225 1.00 1.29 C ATOM 1500 C VAL A 105 117.642 -2.771 -1.513 1.00 1.35 C ATOM 1501 O VAL A 105 118.264 -1.886 -2.080 1.00 1.31 O ATOM 1502 CB VAL A 105 115.444 -1.932 -0.536 1.00 1.19 C ATOM 1503 CG1 VAL A 105 114.700 -2.865 -1.501 1.00 1.26 C ATOM 1504 CG2 VAL A 105 114.652 -1.832 0.768 1.00 1.15 C ATOM 0 H VAL A 105 117.407 -0.449 0.207 1.00 1.25 H new ATOM 0 HA VAL A 105 116.744 -3.377 0.360 1.00 1.29 H new ATOM 0 HB VAL A 105 115.539 -0.953 -1.006 1.00 1.19 H new ATOM 0 HG11 VAL A 105 113.707 -2.463 -1.702 1.00 1.26 H new ATOM 0 HG12 VAL A 105 115.257 -2.942 -2.435 1.00 1.26 H new ATOM 0 HG13 VAL A 105 114.607 -3.854 -1.052 1.00 1.26 H new ATOM 0 HG21 VAL A 105 113.651 -1.455 0.558 1.00 1.15 H new ATOM 0 HG22 VAL A 105 114.580 -2.818 1.226 1.00 1.15 H new ATOM 0 HG23 VAL A 105 115.160 -1.151 1.451 1.00 1.15 H new ATOM 1514 N ALA A 106 117.668 -4.017 -1.953 1.00 1.46 N ATOM 1515 CA ALA A 106 118.472 -4.384 -3.177 1.00 1.53 C ATOM 1516 C ALA A 106 117.671 -5.295 -4.137 1.00 1.59 C ATOM 1517 O ALA A 106 117.024 -6.232 -3.740 1.00 1.66 O ATOM 1518 CB ALA A 106 119.744 -5.109 -2.704 1.00 1.67 C ATOM 0 H ALA A 106 117.169 -4.793 -1.519 1.00 1.46 H new ATOM 0 HA ALA A 106 118.720 -3.478 -3.729 1.00 1.53 H new ATOM 0 HB1 ALA A 106 120.347 -5.387 -3.568 1.00 1.67 H new ATOM 0 HB2 ALA A 106 120.321 -4.448 -2.057 1.00 1.67 H new ATOM 0 HB3 ALA A 106 119.467 -6.006 -2.151 1.00 1.67 H new ATOM 1524 N SER A 107 117.735 -5.019 -5.409 1.00 1.59 N ATOM 1525 CA SER A 107 117.011 -5.848 -6.417 1.00 1.67 C ATOM 1526 C SER A 107 117.967 -6.925 -6.892 1.00 1.81 C ATOM 1527 O SER A 107 118.552 -6.833 -7.952 1.00 1.83 O ATOM 1528 CB SER A 107 116.595 -4.982 -7.607 1.00 1.60 C ATOM 1529 OG SER A 107 117.754 -4.607 -8.341 1.00 2.04 O ATOM 0 H SER A 107 118.267 -4.242 -5.801 1.00 1.59 H new ATOM 0 HA SER A 107 116.115 -6.285 -5.975 1.00 1.67 H new ATOM 0 HB2 SER A 107 115.906 -5.531 -8.248 1.00 1.60 H new ATOM 0 HB3 SER A 107 116.067 -4.094 -7.259 1.00 1.60 H new ATOM 0 HG SER A 107 118.133 -5.397 -8.780 1.00 2.04 H new ATOM 1535 N LEU A 108 118.162 -7.920 -6.085 1.00 1.98 N ATOM 1536 CA LEU A 108 119.122 -9.001 -6.442 1.00 2.16 C ATOM 1537 C LEU A 108 120.497 -8.355 -6.571 1.00 2.13 C ATOM 1538 O LEU A 108 121.468 -8.975 -6.958 1.00 2.33 O ATOM 1539 CB LEU A 108 118.727 -9.669 -7.767 1.00 2.25 C ATOM 1540 CG LEU A 108 117.226 -9.970 -7.772 1.00 2.76 C ATOM 1541 CD1 LEU A 108 116.833 -10.572 -9.123 1.00 3.20 C ATOM 1542 CD2 LEU A 108 116.899 -10.966 -6.655 1.00 3.20 C ATOM 0 H LEU A 108 117.696 -8.036 -5.185 1.00 1.98 H new ATOM 0 HA LEU A 108 119.122 -9.775 -5.675 1.00 2.16 H new ATOM 0 HB2 LEU A 108 118.978 -9.016 -8.603 1.00 2.25 H new ATOM 0 HB3 LEU A 108 119.292 -10.591 -7.902 1.00 2.25 H new ATOM 0 HG LEU A 108 116.670 -9.047 -7.608 1.00 2.76 H new ATOM 0 HD11 LEU A 108 115.764 -10.787 -9.128 1.00 3.20 H new ATOM 0 HD12 LEU A 108 117.065 -9.863 -9.918 1.00 3.20 H new ATOM 0 HD13 LEU A 108 117.390 -11.495 -9.286 1.00 3.20 H new ATOM 0 HD21 LEU A 108 115.830 -11.180 -6.659 1.00 3.20 H new ATOM 0 HD22 LEU A 108 117.454 -11.890 -6.817 1.00 3.20 H new ATOM 0 HD23 LEU A 108 117.180 -10.538 -5.692 1.00 3.20 H new ATOM 1554 N SER A 109 120.570 -7.095 -6.230 1.00 1.93 N ATOM 1555 CA SER A 109 121.853 -6.349 -6.300 1.00 1.92 C ATOM 1556 C SER A 109 122.556 -6.434 -4.952 1.00 2.00 C ATOM 1557 O SER A 109 123.747 -6.220 -4.854 1.00 2.09 O ATOM 1558 CB SER A 109 121.565 -4.890 -6.639 1.00 1.77 C ATOM 1559 OG SER A 109 122.790 -4.236 -6.941 1.00 2.06 O ATOM 0 H SER A 109 119.777 -6.545 -5.900 1.00 1.93 H new ATOM 0 HA SER A 109 122.493 -6.781 -7.069 1.00 1.92 H new ATOM 0 HB2 SER A 109 120.885 -4.828 -7.489 1.00 1.77 H new ATOM 0 HB3 SER A 109 121.072 -4.398 -5.800 1.00 1.77 H new ATOM 0 HG SER A 109 122.614 -3.298 -7.162 1.00 2.06 H new ATOM 1565 N ASP A 110 121.821 -6.723 -3.903 1.00 1.99 N ATOM 1566 CA ASP A 110 122.439 -6.803 -2.541 1.00 2.10 C ATOM 1567 C ASP A 110 123.360 -5.597 -2.357 1.00 2.06 C ATOM 1568 O ASP A 110 124.242 -5.582 -1.522 1.00 2.19 O ATOM 1569 CB ASP A 110 123.229 -8.114 -2.393 1.00 2.32 C ATOM 1570 CG ASP A 110 124.524 -8.055 -3.207 1.00 2.37 C ATOM 1571 OD1 ASP A 110 125.503 -7.543 -2.689 1.00 2.61 O ATOM 1572 OD2 ASP A 110 124.515 -8.523 -4.333 1.00 2.85 O ATOM 0 H ASP A 110 120.818 -6.907 -3.932 1.00 1.99 H new ATOM 0 HA ASP A 110 121.662 -6.792 -1.776 1.00 2.10 H new ATOM 0 HB2 ASP A 110 123.461 -8.289 -1.342 1.00 2.32 H new ATOM 0 HB3 ASP A 110 122.619 -8.953 -2.729 1.00 2.32 H new ATOM 1836 N ARG B 8 113.484 11.602 -2.129 1.00 0.48 N ATOM 1837 CA ARG B 8 112.871 10.320 -2.574 1.00 0.50 C ATOM 1838 C ARG B 8 111.350 10.448 -2.455 1.00 0.48 C ATOM 1839 O ARG B 8 110.750 11.288 -3.095 1.00 0.96 O ATOM 1840 CB ARG B 8 113.394 9.194 -1.677 1.00 0.67 C ATOM 1841 CG ARG B 8 114.914 9.343 -1.527 1.00 0.80 C ATOM 1842 CD ARG B 8 115.479 8.180 -0.710 1.00 1.18 C ATOM 1843 NE ARG B 8 115.188 8.387 0.750 1.00 1.76 N ATOM 1844 CZ ARG B 8 115.635 9.428 1.403 1.00 2.26 C ATOM 1845 NH1 ARG B 8 116.479 10.251 0.842 1.00 3.04 N ATOM 1846 NH2 ARG B 8 115.272 9.619 2.641 1.00 2.64 N ATOM 0 HA ARG B 8 113.129 10.095 -3.609 1.00 0.50 H new ATOM 0 HB2 ARG B 8 112.913 9.236 -0.700 1.00 0.67 H new ATOM 0 HB3 ARG B 8 113.151 8.224 -2.110 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.383 9.368 -2.510 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.148 10.289 -1.038 1.00 0.80 H new ATOM 0 HD2 ARG B 8 115.040 7.241 -1.047 1.00 1.18 H new ATOM 0 HD3 ARG B 8 116.555 8.103 -0.867 1.00 1.18 H new ATOM 0 HE ARG B 8 114.626 7.695 1.246 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.795 10.085 -0.113 1.00 3.04 H new ATOM 0 HH12 ARG B 8 116.822 11.060 1.359 1.00 3.04 H new ATOM 0 HH21 ARG B 8 114.642 8.958 3.096 1.00 2.64 H new ATOM 0 HH22 ARG B 8 115.618 10.429 3.155 1.00 2.64 H new ATOM 1860 N VAL B 9 110.723 9.642 -1.631 1.00 0.42 N ATOM 1861 CA VAL B 9 109.236 9.733 -1.453 1.00 0.36 C ATOM 1862 C VAL B 9 108.948 9.983 0.029 1.00 0.28 C ATOM 1863 O VAL B 9 109.832 9.918 0.860 1.00 0.38 O ATOM 1864 CB VAL B 9 108.572 8.418 -1.962 1.00 0.45 C ATOM 1865 CG1 VAL B 9 108.023 7.556 -0.811 1.00 0.67 C ATOM 1866 CG2 VAL B 9 107.414 8.745 -2.918 1.00 0.66 C ATOM 0 H VAL B 9 111.178 8.921 -1.071 1.00 0.42 H new ATOM 0 HA VAL B 9 108.818 10.555 -2.034 1.00 0.36 H new ATOM 0 HB VAL B 9 109.350 7.854 -2.476 1.00 0.45 H new ATOM 0 HG11 VAL B 9 107.571 6.652 -1.218 1.00 0.67 H new ATOM 0 HG12 VAL B 9 108.837 7.284 -0.140 1.00 0.67 H new ATOM 0 HG13 VAL B 9 107.272 8.121 -0.260 1.00 0.67 H new ATOM 0 HG21 VAL B 9 106.958 7.819 -3.267 1.00 0.66 H new ATOM 0 HG22 VAL B 9 106.668 9.342 -2.394 1.00 0.66 H new ATOM 0 HG23 VAL B 9 107.794 9.306 -3.771 1.00 0.66 H new ATOM 1876 N ALA B 10 107.720 10.274 0.356 1.00 0.27 N ATOM 1877 CA ALA B 10 107.345 10.548 1.782 1.00 0.35 C ATOM 1878 C ALA B 10 106.389 9.468 2.290 1.00 0.26 C ATOM 1879 O ALA B 10 105.461 9.076 1.611 1.00 0.40 O ATOM 1880 CB ALA B 10 106.652 11.910 1.864 1.00 0.58 C ATOM 0 H ALA B 10 106.948 10.336 -0.308 1.00 0.27 H new ATOM 0 HA ALA B 10 108.245 10.547 2.396 1.00 0.35 H new ATOM 0 HB1 ALA B 10 106.376 12.116 2.898 1.00 0.58 H new ATOM 0 HB2 ALA B 10 107.330 12.685 1.508 1.00 0.58 H new ATOM 0 HB3 ALA B 10 105.755 11.900 1.245 1.00 0.58 H new ATOM 1886 N SER B 11 106.609 8.986 3.487 1.00 0.23 N ATOM 1887 CA SER B 11 105.711 7.931 4.050 1.00 0.22 C ATOM 1888 C SER B 11 105.648 8.075 5.572 1.00 0.23 C ATOM 1889 O SER B 11 106.345 7.396 6.300 1.00 0.30 O ATOM 1890 CB SER B 11 106.257 6.551 3.681 1.00 0.36 C ATOM 1891 OG SER B 11 105.912 6.268 2.335 1.00 1.19 O ATOM 0 H SER B 11 107.371 9.277 4.099 1.00 0.23 H new ATOM 0 HA SER B 11 104.708 8.043 3.638 1.00 0.22 H new ATOM 0 HB2 SER B 11 107.340 6.528 3.806 1.00 0.36 H new ATOM 0 HB3 SER B 11 105.843 5.792 4.344 1.00 0.36 H new ATOM 0 HG SER B 11 105.569 7.080 1.907 1.00 1.19 H new ATOM 1897 N SER B 12 104.811 8.956 6.058 1.00 0.27 N ATOM 1898 CA SER B 12 104.686 9.158 7.534 1.00 0.35 C ATOM 1899 C SER B 12 103.438 8.431 8.044 1.00 0.31 C ATOM 1900 O SER B 12 102.326 8.753 7.675 1.00 0.41 O ATOM 1901 CB SER B 12 104.556 10.652 7.829 1.00 0.52 C ATOM 1902 OG SER B 12 104.128 10.830 9.172 1.00 1.38 O ATOM 0 H SER B 12 104.204 9.549 5.491 1.00 0.27 H new ATOM 0 HA SER B 12 105.569 8.760 8.033 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.513 11.150 7.671 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.842 11.109 7.144 1.00 0.52 H new ATOM 0 HG SER B 12 104.045 11.787 9.365 1.00 1.38 H new ATOM 1908 N VAL B 13 103.614 7.455 8.893 1.00 0.27 N ATOM 1909 CA VAL B 13 102.443 6.707 9.433 1.00 0.27 C ATOM 1910 C VAL B 13 102.827 6.068 10.764 1.00 0.32 C ATOM 1911 O VAL B 13 103.998 5.953 11.096 1.00 0.41 O ATOM 1912 CB VAL B 13 102.029 5.614 8.444 1.00 0.32 C ATOM 1913 CG1 VAL B 13 103.251 4.772 8.071 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.963 4.712 9.079 1.00 0.41 C ATOM 0 H VAL B 13 104.522 7.143 9.237 1.00 0.27 H new ATOM 0 HA VAL B 13 101.609 7.393 9.581 1.00 0.27 H new ATOM 0 HB VAL B 13 101.618 6.080 7.548 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.956 3.994 7.367 1.00 0.42 H new ATOM 0 HG12 VAL B 13 104.006 5.410 7.611 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.663 4.311 8.969 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.673 3.937 8.370 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.368 4.248 9.978 1.00 0.41 H new ATOM 0 HG23 VAL B 13 100.090 5.309 9.340 1.00 0.41 H new ATOM 1924 N PHE B 14 101.849 5.642 11.525 1.00 0.36 N ATOM 1925 CA PHE B 14 102.161 5.000 12.833 1.00 0.45 C ATOM 1926 C PHE B 14 100.895 4.548 13.564 1.00 0.34 C ATOM 1927 O PHE B 14 99.821 4.461 13.002 1.00 0.35 O ATOM 1928 CB PHE B 14 102.897 5.980 13.737 1.00 0.59 C ATOM 1929 CG PHE B 14 101.975 7.089 14.203 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.470 8.013 13.281 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.638 7.199 15.559 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.627 9.043 13.713 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.797 8.230 15.991 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.291 9.152 15.068 1.00 1.54 C ATOM 0 H PHE B 14 100.857 5.711 11.297 1.00 0.36 H new ATOM 0 HA PHE B 14 102.780 4.129 12.617 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.300 5.451 14.600 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.744 6.408 13.201 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.731 7.931 12.236 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.028 6.487 16.271 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.235 9.754 13.001 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.538 8.314 17.036 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.641 9.948 15.401 1.00 1.54 H new ATOM 1944 N ILE B 15 101.042 4.263 14.838 1.00 0.34 N ATOM 1945 CA ILE B 15 99.901 3.817 15.670 1.00 0.33 C ATOM 1946 C ILE B 15 100.087 4.365 17.092 1.00 0.31 C ATOM 1947 O ILE B 15 101.193 4.650 17.514 1.00 0.58 O ATOM 1948 CB ILE B 15 99.865 2.288 15.720 1.00 0.51 C ATOM 1949 CG1 ILE B 15 101.261 1.716 16.067 1.00 0.62 C ATOM 1950 CG2 ILE B 15 99.368 1.727 14.383 1.00 0.83 C ATOM 1951 CD1 ILE B 15 102.296 1.954 14.948 1.00 1.25 C ATOM 0 H ILE B 15 101.929 4.326 15.337 1.00 0.34 H new ATOM 0 HA ILE B 15 98.968 4.184 15.243 1.00 0.33 H new ATOM 0 HB ILE B 15 99.172 1.984 16.505 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.618 2.174 16.990 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.174 0.646 16.255 1.00 0.62 H new ATOM 0 HG21 ILE B 15 99.347 0.638 14.431 1.00 0.83 H new ATOM 0 HG22 ILE B 15 98.364 2.101 14.182 1.00 0.83 H new ATOM 0 HG23 ILE B 15 100.039 2.042 13.584 1.00 0.83 H new ATOM 0 HD11 ILE B 15 103.256 1.533 15.245 1.00 1.25 H new ATOM 0 HD12 ILE B 15 101.957 1.473 14.030 1.00 1.25 H new ATOM 0 HD13 ILE B 15 102.407 3.025 14.777 1.00 1.25 H new ATOM 1963 N THR B 16 99.016 4.518 17.834 1.00 0.35 N ATOM 1964 CA THR B 16 99.120 5.053 19.233 1.00 0.47 C ATOM 1965 C THR B 16 98.835 3.933 20.239 1.00 0.31 C ATOM 1966 O THR B 16 98.215 2.940 19.916 1.00 0.35 O ATOM 1967 CB THR B 16 98.092 6.171 19.421 1.00 0.75 C ATOM 1968 OG1 THR B 16 98.376 7.230 18.517 1.00 1.61 O ATOM 1969 CG2 THR B 16 98.158 6.693 20.858 1.00 1.40 C ATOM 0 H THR B 16 98.068 4.295 17.531 1.00 0.35 H new ATOM 0 HA THR B 16 100.126 5.440 19.398 1.00 0.47 H new ATOM 0 HB THR B 16 97.093 5.782 19.224 1.00 0.75 H new ATOM 0 HG1 THR B 16 97.718 7.946 18.635 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.425 7.489 20.990 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.940 5.880 21.551 1.00 1.40 H new ATOM 0 HG23 THR B 16 99.156 7.082 21.058 1.00 1.40 H new ATOM 1977 N LEU B 17 99.284 4.093 21.462 1.00 0.39 N ATOM 1978 CA LEU B 17 99.048 3.050 22.513 1.00 0.44 C ATOM 1979 C LEU B 17 98.546 3.728 23.790 1.00 0.31 C ATOM 1980 O LEU B 17 99.300 4.354 24.510 1.00 0.54 O ATOM 1981 CB LEU B 17 100.359 2.317 22.817 1.00 0.72 C ATOM 1982 CG LEU B 17 100.960 1.752 21.524 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.394 1.292 21.793 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.129 0.560 21.030 1.00 1.32 C ATOM 0 H LEU B 17 99.808 4.908 21.780 1.00 0.39 H new ATOM 0 HA LEU B 17 98.307 2.336 22.154 1.00 0.44 H new ATOM 0 HB2 LEU B 17 101.066 3.000 23.287 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.177 1.509 23.526 1.00 0.72 H new ATOM 0 HG LEU B 17 100.956 2.529 20.760 1.00 0.83 H new ATOM 0 HD11 LEU B 17 102.825 0.890 20.876 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.990 2.139 22.133 1.00 1.06 H new ATOM 0 HD13 LEU B 17 102.390 0.519 22.562 1.00 1.06 H new ATOM 0 HD21 LEU B 17 100.566 0.168 20.112 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.123 -0.220 21.791 1.00 1.32 H new ATOM 0 HD23 LEU B 17 99.107 0.885 20.836 1.00 1.32 H new