USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 76 ASN : amide:sc= -0.445 K(o=0.14,f=-3.7!) USER MOD Set 1.2: A 100 SER OG : rot 165:sc= 0.585 USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 118:sc= 1.86 USER MOD Set 2.3: A 26 CYS SG : rot 42:sc= -2.6! USER MOD Set 2.4: A 51 HIS : no HE2:sc= 0.0892 K(o=-15,f=-16) USER MOD Set 2.5: A 71 CYS SG : rot -82:sc= -6.69! USER MOD Set 2.6: A 74 CYS SG : rot -108:sc= -8.12! USER MOD Set 3.1: A 39 HIS : no HD1:sc= 1.09 K(o=2.3,f=-3!) USER MOD Set 3.2: A 41 SER OG : rot -121:sc= 1.26 USER MOD Set 4.1: A 33 SER OG : rot 103:sc= 0.918 USER MOD Set 4.2: A 34 HIS : no HD1:sc= 0.776 K(o=1.7,f=-0.5) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -38:sc= 0.484 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 176:sc= 0.221 USER MOD Single : A 35 SER OG : rot 100:sc= -0.0451 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 165:sc=-0.00234 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 113:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.9!) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 1.2 (180deg=0.748) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.435 K(o=-0.43,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 92 SER OG : rot 180:sc= -0.024 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0618 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -38:sc= 0.0424 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N PRO A 18 56.847 50.299 47.965 1.00 0.00 N ATOM 262 CA PRO A 18 58.249 50.709 48.014 1.00 0.00 C ATOM 263 C PRO A 18 59.062 49.929 49.057 1.00 0.00 C ATOM 264 O PRO A 18 58.615 49.681 50.179 1.00 0.00 O ATOM 265 CB PRO A 18 58.230 52.214 48.304 1.00 0.00 C ATOM 266 CG PRO A 18 56.924 52.404 49.076 1.00 0.00 C ATOM 267 CD PRO A 18 55.991 51.390 48.416 1.00 0.00 C ATOM 0 HA PRO A 18 58.749 50.491 47.070 1.00 0.00 H new ATOM 0 HB2 PRO A 18 59.094 52.522 48.893 1.00 0.00 H new ATOM 0 HB3 PRO A 18 58.244 52.801 47.386 1.00 0.00 H new ATOM 0 HG2 PRO A 18 57.050 52.205 50.140 1.00 0.00 H new ATOM 0 HG3 PRO A 18 56.545 53.422 48.985 1.00 0.00 H new ATOM 0 HD2 PRO A 18 55.240 51.033 49.121 1.00 0.00 H new ATOM 0 HD3 PRO A 18 55.455 51.838 47.579 1.00 0.00 H new ATOM 275 N GLY A 19 60.300 49.585 48.707 1.00 0.00 N ATOM 276 CA GLY A 19 61.186 48.774 49.539 1.00 0.00 C ATOM 277 C GLY A 19 62.508 48.441 48.849 1.00 0.00 C ATOM 278 O GLY A 19 62.746 48.859 47.716 1.00 0.00 O ATOM 0 H GLY A 19 60.722 49.867 47.822 1.00 0.00 H new ATOM 0 HA2 GLY A 19 61.391 49.305 50.469 1.00 0.00 H new ATOM 0 HA3 GLY A 19 60.678 47.848 49.807 1.00 0.00 H new ATOM 282 N VAL A 20 63.362 47.688 49.543 1.00 0.00 N ATOM 283 CA VAL A 20 64.708 47.315 49.081 1.00 0.00 C ATOM 284 C VAL A 20 64.896 45.797 49.143 1.00 0.00 C ATOM 285 O VAL A 20 64.265 45.105 49.939 1.00 0.00 O ATOM 286 CB VAL A 20 65.813 48.005 49.901 1.00 0.00 C ATOM 287 CG1 VAL A 20 67.128 48.172 49.125 1.00 0.00 C ATOM 288 CG2 VAL A 20 65.441 49.393 50.450 1.00 0.00 C ATOM 0 H VAL A 20 63.136 47.310 50.463 1.00 0.00 H new ATOM 0 HA VAL A 20 64.794 47.652 48.048 1.00 0.00 H new ATOM 0 HB VAL A 20 65.940 47.315 50.736 1.00 0.00 H new ATOM 0 HG11 VAL A 20 67.865 48.665 49.759 1.00 0.00 H new ATOM 0 HG12 VAL A 20 67.502 47.192 48.828 1.00 0.00 H new ATOM 0 HG13 VAL A 20 66.952 48.778 48.236 1.00 0.00 H new ATOM 0 HG21 VAL A 20 66.281 49.799 51.013 1.00 0.00 H new ATOM 0 HG22 VAL A 20 65.203 50.060 49.622 1.00 0.00 H new ATOM 0 HG23 VAL A 20 64.574 49.305 51.105 1.00 0.00 H new ATOM 298 N TYR A 21 65.818 45.278 48.340 1.00 0.00 N ATOM 299 CA TYR A 21 66.297 43.893 48.430 1.00 0.00 C ATOM 300 C TYR A 21 67.567 43.856 49.283 1.00 0.00 C ATOM 301 O TYR A 21 68.322 44.831 49.309 1.00 0.00 O ATOM 302 CB TYR A 21 66.493 43.332 47.001 1.00 0.00 C ATOM 303 CG TYR A 21 67.602 42.308 46.753 1.00 0.00 C ATOM 304 CD1 TYR A 21 68.950 42.683 46.909 1.00 0.00 C ATOM 305 CD2 TYR A 21 67.310 41.021 46.255 1.00 0.00 C ATOM 306 CE1 TYR A 21 69.995 41.783 46.633 1.00 0.00 C ATOM 307 CE2 TYR A 21 68.357 40.125 45.941 1.00 0.00 C ATOM 308 CZ TYR A 21 69.702 40.498 46.149 1.00 0.00 C ATOM 309 OH TYR A 21 70.715 39.640 45.856 1.00 0.00 O ATOM 0 H TYR A 21 66.264 45.812 47.594 1.00 0.00 H new ATOM 0 HA TYR A 21 65.569 43.250 48.924 1.00 0.00 H new ATOM 0 HB2 TYR A 21 65.551 42.878 46.693 1.00 0.00 H new ATOM 0 HB3 TYR A 21 66.671 44.178 46.337 1.00 0.00 H new ATOM 0 HD1 TYR A 21 69.186 43.681 47.247 1.00 0.00 H new ATOM 0 HD2 TYR A 21 66.283 40.719 46.113 1.00 0.00 H new ATOM 0 HE1 TYR A 21 71.021 42.080 46.793 1.00 0.00 H new ATOM 0 HE2 TYR A 21 68.126 39.149 45.540 1.00 0.00 H new ATOM 0 HH TYR A 21 70.343 38.793 45.534 1.00 0.00 H new ATOM 319 N VAL A 22 67.838 42.720 49.927 1.00 0.00 N ATOM 320 CA VAL A 22 69.142 42.451 50.547 1.00 0.00 C ATOM 321 C VAL A 22 69.614 41.036 50.230 1.00 0.00 C ATOM 322 O VAL A 22 68.794 40.129 50.050 1.00 0.00 O ATOM 323 CB VAL A 22 69.156 42.714 52.067 1.00 0.00 C ATOM 324 CG1 VAL A 22 68.285 43.908 52.488 1.00 0.00 C ATOM 325 CG2 VAL A 22 68.643 41.552 52.924 1.00 0.00 C ATOM 0 H VAL A 22 67.165 41.961 50.035 1.00 0.00 H new ATOM 0 HA VAL A 22 69.845 43.160 50.108 1.00 0.00 H new ATOM 0 HB VAL A 22 70.217 42.891 52.244 1.00 0.00 H new ATOM 0 HG11 VAL A 22 68.341 44.036 53.569 1.00 0.00 H new ATOM 0 HG12 VAL A 22 68.645 44.812 51.996 1.00 0.00 H new ATOM 0 HG13 VAL A 22 67.251 43.724 52.198 1.00 0.00 H new ATOM 0 HG21 VAL A 22 68.690 41.828 53.977 1.00 0.00 H new ATOM 0 HG22 VAL A 22 67.611 41.328 52.653 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.262 40.672 52.752 1.00 0.00 H new ATOM 335 N CYS A 23 70.933 40.835 50.251 1.00 0.00 N ATOM 336 CA CYS A 23 71.512 39.506 50.091 1.00 0.00 C ATOM 337 C CYS A 23 71.041 38.613 51.250 1.00 0.00 C ATOM 338 O CYS A 23 71.068 39.045 52.408 1.00 0.00 O ATOM 339 CB CYS A 23 73.046 39.615 50.048 1.00 0.00 C ATOM 340 SG CYS A 23 73.763 37.999 49.620 1.00 0.00 S ATOM 0 H CYS A 23 71.619 41.579 50.378 1.00 0.00 H new ATOM 0 HA CYS A 23 71.183 39.056 49.154 1.00 0.00 H new ATOM 0 HB2 CYS A 23 73.347 40.363 49.314 1.00 0.00 H new ATOM 0 HB3 CYS A 23 73.424 39.947 51.015 1.00 0.00 H new ATOM 0 HG CYS A 23 74.420 38.098 48.502 1.00 0.00 H new ATOM 345 N ALA A 24 70.704 37.347 50.982 1.00 0.00 N ATOM 346 CA ALA A 24 70.439 36.425 52.086 1.00 0.00 C ATOM 347 C ALA A 24 71.694 36.208 52.970 1.00 0.00 C ATOM 348 O ALA A 24 71.583 35.642 54.062 1.00 0.00 O ATOM 349 CB ALA A 24 69.921 35.065 51.616 1.00 0.00 C ATOM 0 H ALA A 24 70.611 36.950 50.047 1.00 0.00 H new ATOM 0 HA ALA A 24 69.657 36.903 52.676 1.00 0.00 H new ATOM 0 HB1 ALA A 24 69.743 34.425 52.480 1.00 0.00 H new ATOM 0 HB2 ALA A 24 68.989 35.201 51.067 1.00 0.00 H new ATOM 0 HB3 ALA A 24 70.661 34.599 50.966 1.00 0.00 H new ATOM 355 N LYS A 25 72.885 36.598 52.482 1.00 0.00 N ATOM 356 CA LYS A 25 74.181 36.213 53.036 1.00 0.00 C ATOM 357 C LYS A 25 75.164 37.355 53.304 1.00 0.00 C ATOM 358 O LYS A 25 75.754 37.367 54.386 1.00 0.00 O ATOM 359 CB LYS A 25 74.758 35.119 52.137 1.00 0.00 C ATOM 360 CG LYS A 25 74.459 33.706 52.650 1.00 0.00 C ATOM 361 CD LYS A 25 75.122 33.416 53.992 1.00 0.00 C ATOM 362 CE LYS A 25 75.212 31.919 54.286 1.00 0.00 C ATOM 363 NZ LYS A 25 75.974 31.706 55.537 1.00 0.00 N ATOM 0 H LYS A 25 72.967 37.207 51.668 1.00 0.00 H new ATOM 0 HA LYS A 25 74.012 35.838 54.045 1.00 0.00 H new ATOM 0 HB2 LYS A 25 74.350 35.229 51.132 1.00 0.00 H new ATOM 0 HB3 LYS A 25 75.837 35.251 52.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.381 33.579 52.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.801 32.977 51.915 1.00 0.00 H new ATOM 0 HD2 LYS A 25 76.124 33.846 54.000 1.00 0.00 H new ATOM 0 HD3 LYS A 25 74.559 33.906 54.786 1.00 0.00 H new ATOM 0 HE2 LYS A 25 74.212 31.495 54.380 1.00 0.00 H new ATOM 0 HE3 LYS A 25 75.700 31.404 53.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 76.035 30.687 55.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 76.932 32.096 55.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 75.491 32.185 56.324 1.00 0.00 H new ATOM 377 N CYS A 26 75.282 38.321 52.399 1.00 0.00 N ATOM 378 CA CYS A 26 76.006 39.570 52.621 1.00 0.00 C ATOM 379 C CYS A 26 75.227 40.499 53.582 1.00 0.00 C ATOM 380 O CYS A 26 75.830 41.353 54.228 1.00 0.00 O ATOM 381 CB CYS A 26 76.282 40.281 51.286 1.00 0.00 C ATOM 382 SG CYS A 26 77.136 39.285 50.043 1.00 0.00 S ATOM 0 H CYS A 26 74.868 38.257 51.469 1.00 0.00 H new ATOM 0 HA CYS A 26 76.962 39.328 53.086 1.00 0.00 H new ATOM 0 HB2 CYS A 26 75.333 40.617 50.869 1.00 0.00 H new ATOM 0 HB3 CYS A 26 76.876 41.173 51.484 1.00 0.00 H new ATOM 0 HG CYS A 26 76.640 38.083 50.035 1.00 0.00 H new ATOM 387 N SER A 27 73.890 40.369 53.591 1.00 0.00 N ATOM 388 CA SER A 27 72.904 41.202 54.317 1.00 0.00 C ATOM 389 C SER A 27 72.884 42.688 53.932 1.00 0.00 C ATOM 390 O SER A 27 72.161 43.479 54.538 1.00 0.00 O ATOM 391 CB SER A 27 72.952 40.990 55.843 1.00 0.00 C ATOM 392 OG SER A 27 73.982 41.736 56.472 1.00 0.00 O ATOM 0 H SER A 27 73.434 39.630 53.056 1.00 0.00 H new ATOM 0 HA SER A 27 71.943 40.825 53.967 1.00 0.00 H new ATOM 0 HB2 SER A 27 71.991 41.271 56.274 1.00 0.00 H new ATOM 0 HB3 SER A 27 73.098 39.930 56.053 1.00 0.00 H new ATOM 0 HG SER A 27 74.775 41.748 55.896 1.00 0.00 H new ATOM 398 N TYR A 28 73.655 43.060 52.907 1.00 0.00 N ATOM 399 CA TYR A 28 73.820 44.427 52.429 1.00 0.00 C ATOM 400 C TYR A 28 72.735 44.801 51.402 1.00 0.00 C ATOM 401 O TYR A 28 72.313 43.961 50.602 1.00 0.00 O ATOM 402 CB TYR A 28 75.261 44.611 51.946 1.00 0.00 C ATOM 403 CG TYR A 28 75.830 46.021 51.816 1.00 0.00 C ATOM 404 CD1 TYR A 28 75.371 47.096 52.609 1.00 0.00 C ATOM 405 CD2 TYR A 28 76.903 46.235 50.926 1.00 0.00 C ATOM 406 CE1 TYR A 28 75.967 48.367 52.495 1.00 0.00 C ATOM 407 CE2 TYR A 28 77.506 47.503 50.816 1.00 0.00 C ATOM 408 CZ TYR A 28 77.038 48.576 51.603 1.00 0.00 C ATOM 409 OH TYR A 28 77.633 49.800 51.540 1.00 0.00 O ATOM 0 H TYR A 28 74.201 42.387 52.369 1.00 0.00 H new ATOM 0 HA TYR A 28 73.667 45.139 53.240 1.00 0.00 H new ATOM 0 HB2 TYR A 28 75.908 44.058 52.627 1.00 0.00 H new ATOM 0 HB3 TYR A 28 75.343 44.133 50.970 1.00 0.00 H new ATOM 0 HD1 TYR A 28 74.560 46.943 53.305 1.00 0.00 H new ATOM 0 HD2 TYR A 28 77.266 45.417 50.322 1.00 0.00 H new ATOM 0 HE1 TYR A 28 75.601 49.187 53.095 1.00 0.00 H new ATOM 0 HE2 TYR A 28 78.326 47.654 50.130 1.00 0.00 H new ATOM 0 HH TYR A 28 78.355 49.779 50.877 1.00 0.00 H new ATOM 419 N GLU A 29 72.232 46.035 51.455 1.00 0.00 N ATOM 420 CA GLU A 29 70.919 46.382 50.894 1.00 0.00 C ATOM 421 C GLU A 29 71.017 47.049 49.508 1.00 0.00 C ATOM 422 O GLU A 29 70.943 48.276 49.365 1.00 0.00 O ATOM 423 CB GLU A 29 70.110 47.199 51.922 1.00 0.00 C ATOM 424 CG GLU A 29 70.123 46.613 53.352 1.00 0.00 C ATOM 425 CD GLU A 29 71.233 47.141 54.272 1.00 0.00 C ATOM 426 OE1 GLU A 29 72.209 47.756 53.781 1.00 0.00 O ATOM 427 OE2 GLU A 29 71.112 46.931 55.500 1.00 0.00 O ATOM 0 H GLU A 29 72.718 46.821 51.885 1.00 0.00 H new ATOM 0 HA GLU A 29 70.370 45.460 50.705 1.00 0.00 H new ATOM 0 HB2 GLU A 29 70.506 48.214 51.954 1.00 0.00 H new ATOM 0 HB3 GLU A 29 69.077 47.270 51.580 1.00 0.00 H new ATOM 0 HG2 GLU A 29 69.160 46.818 53.819 1.00 0.00 H new ATOM 0 HG3 GLU A 29 70.218 45.529 53.281 1.00 0.00 H new ATOM 434 N LEU A 30 71.221 46.229 48.468 1.00 0.00 N ATOM 435 CA LEU A 30 71.643 46.648 47.133 1.00 0.00 C ATOM 436 C LEU A 30 70.938 45.849 46.019 1.00 0.00 C ATOM 437 O LEU A 30 71.034 44.634 45.906 1.00 0.00 O ATOM 438 CB LEU A 30 73.186 46.592 47.057 1.00 0.00 C ATOM 439 CG LEU A 30 73.810 45.189 47.248 1.00 0.00 C ATOM 440 CD1 LEU A 30 74.096 44.495 45.915 1.00 0.00 C ATOM 441 CD2 LEU A 30 75.132 45.285 48.008 1.00 0.00 C ATOM 0 H LEU A 30 71.091 45.220 48.540 1.00 0.00 H new ATOM 0 HA LEU A 30 71.334 47.679 46.959 1.00 0.00 H new ATOM 0 HB2 LEU A 30 73.499 46.981 46.088 1.00 0.00 H new ATOM 0 HB3 LEU A 30 73.595 47.259 47.816 1.00 0.00 H new ATOM 0 HG LEU A 30 73.078 44.607 47.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 74.533 43.514 46.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 73.166 44.378 45.359 1.00 0.00 H new ATOM 0 HD13 LEU A 30 74.793 45.098 45.333 1.00 0.00 H new ATOM 0 HD21 LEU A 30 75.554 44.288 48.132 1.00 0.00 H new ATOM 0 HD22 LEU A 30 75.830 45.907 47.447 1.00 0.00 H new ATOM 0 HD23 LEU A 30 74.957 45.729 48.988 1.00 0.00 H new ATOM 453 N PHE A 31 70.219 46.585 45.186 1.00 0.00 N ATOM 454 CA PHE A 31 69.549 46.182 43.938 1.00 0.00 C ATOM 455 C PHE A 31 69.188 47.423 43.090 1.00 0.00 C ATOM 456 O PHE A 31 69.465 48.552 43.496 1.00 0.00 O ATOM 457 CB PHE A 31 68.275 45.377 44.262 1.00 0.00 C ATOM 458 CG PHE A 31 67.004 46.175 44.541 1.00 0.00 C ATOM 459 CD1 PHE A 31 66.996 47.253 45.452 1.00 0.00 C ATOM 460 CD2 PHE A 31 65.818 45.850 43.853 1.00 0.00 C ATOM 461 CE1 PHE A 31 65.827 48.009 45.644 1.00 0.00 C ATOM 462 CE2 PHE A 31 64.641 46.589 44.069 1.00 0.00 C ATOM 463 CZ PHE A 31 64.645 47.670 44.965 1.00 0.00 C ATOM 0 H PHE A 31 70.070 47.576 45.376 1.00 0.00 H new ATOM 0 HA PHE A 31 70.232 45.556 43.363 1.00 0.00 H new ATOM 0 HB2 PHE A 31 68.077 44.705 43.427 1.00 0.00 H new ATOM 0 HB3 PHE A 31 68.481 44.752 45.131 1.00 0.00 H new ATOM 0 HD1 PHE A 31 67.892 47.498 46.004 1.00 0.00 H new ATOM 0 HD2 PHE A 31 65.813 45.027 43.154 1.00 0.00 H new ATOM 0 HE1 PHE A 31 65.837 48.854 46.316 1.00 0.00 H new ATOM 0 HE2 PHE A 31 63.734 46.325 43.546 1.00 0.00 H new ATOM 0 HZ PHE A 31 63.742 48.239 45.132 1.00 0.00 H new ATOM 473 N SER A 32 68.543 47.222 41.935 1.00 0.00 N ATOM 474 CA SER A 32 67.925 48.264 41.109 1.00 0.00 C ATOM 475 C SER A 32 66.488 47.909 40.698 1.00 0.00 C ATOM 476 O SER A 32 66.126 46.736 40.550 1.00 0.00 O ATOM 477 CB SER A 32 68.813 48.520 39.889 1.00 0.00 C ATOM 478 OG SER A 32 68.178 49.405 38.986 1.00 0.00 O ATOM 0 H SER A 32 68.433 46.290 41.534 1.00 0.00 H new ATOM 0 HA SER A 32 67.847 49.177 41.700 1.00 0.00 H new ATOM 0 HB2 SER A 32 69.766 48.941 40.209 1.00 0.00 H new ATOM 0 HB3 SER A 32 69.033 47.577 39.388 1.00 0.00 H new ATOM 0 HG SER A 32 68.784 49.603 38.241 1.00 0.00 H new ATOM 484 N SER A 33 65.682 48.942 40.440 1.00 0.00 N ATOM 485 CA SER A 33 64.352 48.877 39.819 1.00 0.00 C ATOM 486 C SER A 33 64.363 48.365 38.370 1.00 0.00 C ATOM 487 O SER A 33 63.312 47.983 37.856 1.00 0.00 O ATOM 488 CB SER A 33 63.724 50.282 39.854 1.00 0.00 C ATOM 489 OG SER A 33 64.685 51.286 39.553 1.00 0.00 O ATOM 0 H SER A 33 65.952 49.898 40.670 1.00 0.00 H new ATOM 0 HA SER A 33 63.770 48.157 40.393 1.00 0.00 H new ATOM 0 HB2 SER A 33 62.904 50.334 39.137 1.00 0.00 H new ATOM 0 HB3 SER A 33 63.298 50.468 40.840 1.00 0.00 H new ATOM 0 HG SER A 33 64.558 51.595 38.632 1.00 0.00 H new ATOM 495 N HIS A 34 65.521 48.353 37.701 1.00 0.00 N ATOM 496 CA HIS A 34 65.629 48.064 36.262 1.00 0.00 C ATOM 497 C HIS A 34 66.098 46.638 35.947 1.00 0.00 C ATOM 498 O HIS A 34 65.816 46.099 34.880 1.00 0.00 O ATOM 499 CB HIS A 34 66.542 49.122 35.618 1.00 0.00 C ATOM 500 CG HIS A 34 66.232 50.526 36.082 1.00 0.00 C ATOM 501 ND1 HIS A 34 67.106 51.385 36.711 1.00 0.00 N ATOM 502 CD2 HIS A 34 64.992 51.104 36.135 1.00 0.00 C ATOM 503 CE1 HIS A 34 66.408 52.453 37.133 1.00 0.00 C ATOM 504 NE2 HIS A 34 65.105 52.312 36.829 1.00 0.00 N ATOM 0 H HIS A 34 66.419 48.545 38.145 1.00 0.00 H new ATOM 0 HA HIS A 34 64.628 48.119 35.833 1.00 0.00 H new ATOM 0 HB2 HIS A 34 67.581 48.889 35.851 1.00 0.00 H new ATOM 0 HB3 HIS A 34 66.440 49.072 34.534 1.00 0.00 H new ATOM 0 HD2 HIS A 34 64.084 50.697 35.714 1.00 0.00 H new ATOM 0 HE1 HIS A 34 66.833 53.304 37.644 1.00 0.00 H new ATOM 0 HE2 HIS A 34 64.350 52.958 37.059 1.00 0.00 H new ATOM 512 N SER A 35 66.756 45.993 36.907 1.00 0.00 N ATOM 513 CA SER A 35 67.440 44.713 36.799 1.00 0.00 C ATOM 514 C SER A 35 66.497 43.513 36.760 1.00 0.00 C ATOM 515 O SER A 35 66.907 42.408 36.421 1.00 0.00 O ATOM 516 CB SER A 35 68.443 44.571 37.951 1.00 0.00 C ATOM 517 OG SER A 35 68.107 45.338 39.099 1.00 0.00 O ATOM 0 H SER A 35 66.829 46.382 37.847 1.00 0.00 H new ATOM 0 HA SER A 35 67.960 44.712 35.841 1.00 0.00 H new ATOM 0 HB2 SER A 35 68.511 43.521 38.234 1.00 0.00 H new ATOM 0 HB3 SER A 35 69.430 44.872 37.600 1.00 0.00 H new ATOM 0 HG SER A 35 67.682 44.759 39.766 1.00 0.00 H new ATOM 523 N LYS A 36 65.236 43.742 37.127 1.00 0.00 N ATOM 524 CA LYS A 36 64.118 42.787 37.050 1.00 0.00 C ATOM 525 C LYS A 36 62.908 43.467 36.401 1.00 0.00 C ATOM 526 O LYS A 36 62.840 44.696 36.384 1.00 0.00 O ATOM 527 CB LYS A 36 63.794 42.265 38.465 1.00 0.00 C ATOM 528 CG LYS A 36 63.101 40.889 38.466 1.00 0.00 C ATOM 529 CD LYS A 36 62.495 40.519 39.827 1.00 0.00 C ATOM 530 CE LYS A 36 61.177 41.275 40.028 1.00 0.00 C ATOM 531 NZ LYS A 36 60.580 41.044 41.362 1.00 0.00 N ATOM 0 H LYS A 36 64.946 44.644 37.506 1.00 0.00 H new ATOM 0 HA LYS A 36 64.391 41.932 36.431 1.00 0.00 H new ATOM 0 HB2 LYS A 36 64.718 42.199 39.040 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.154 42.986 38.973 1.00 0.00 H new ATOM 0 HG2 LYS A 36 62.314 40.885 37.712 1.00 0.00 H new ATOM 0 HG3 LYS A 36 63.823 40.125 38.177 1.00 0.00 H new ATOM 0 HD2 LYS A 36 62.320 39.444 39.878 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.193 40.767 40.626 1.00 0.00 H new ATOM 0 HE2 LYS A 36 61.352 42.342 39.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 60.467 40.969 39.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 59.692 41.579 41.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 60.386 40.030 41.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 61.243 41.361 42.098 1.00 0.00 H new ATOM 545 N TYR A 37 61.941 42.693 35.914 1.00 0.00 N ATOM 546 CA TYR A 37 60.610 43.193 35.553 1.00 0.00 C ATOM 547 C TYR A 37 59.555 42.863 36.613 1.00 0.00 C ATOM 548 O TYR A 37 59.737 41.997 37.470 1.00 0.00 O ATOM 549 CB TYR A 37 60.193 42.711 34.158 1.00 0.00 C ATOM 550 CG TYR A 37 60.175 41.209 33.942 1.00 0.00 C ATOM 551 CD1 TYR A 37 59.138 40.419 34.483 1.00 0.00 C ATOM 552 CD2 TYR A 37 61.175 40.614 33.150 1.00 0.00 C ATOM 553 CE1 TYR A 37 59.102 39.032 34.236 1.00 0.00 C ATOM 554 CE2 TYR A 37 61.129 39.234 32.882 1.00 0.00 C ATOM 555 CZ TYR A 37 60.094 38.443 33.423 1.00 0.00 C ATOM 556 OH TYR A 37 60.055 37.120 33.127 1.00 0.00 O ATOM 0 H TYR A 37 62.057 41.692 35.756 1.00 0.00 H new ATOM 0 HA TYR A 37 60.677 44.280 35.517 1.00 0.00 H new ATOM 0 HB2 TYR A 37 59.197 43.099 33.946 1.00 0.00 H new ATOM 0 HB3 TYR A 37 60.870 43.153 33.427 1.00 0.00 H new ATOM 0 HD1 TYR A 37 58.370 40.879 35.088 1.00 0.00 H new ATOM 0 HD2 TYR A 37 61.977 41.216 32.749 1.00 0.00 H new ATOM 0 HE1 TYR A 37 58.320 38.424 34.666 1.00 0.00 H new ATOM 0 HE2 TYR A 37 61.887 38.780 32.261 1.00 0.00 H new ATOM 0 HH TYR A 37 60.659 36.934 32.378 1.00 0.00 H new ATOM 566 N ALA A 38 58.432 43.566 36.517 1.00 0.00 N ATOM 567 CA ALA A 38 57.250 43.399 37.365 1.00 0.00 C ATOM 568 C ALA A 38 56.234 42.430 36.728 1.00 0.00 C ATOM 569 O ALA A 38 55.739 42.674 35.621 1.00 0.00 O ATOM 570 CB ALA A 38 56.644 44.779 37.647 1.00 0.00 C ATOM 0 H ALA A 38 58.312 44.299 35.818 1.00 0.00 H new ATOM 0 HA ALA A 38 57.540 42.947 38.313 1.00 0.00 H new ATOM 0 HB1 ALA A 38 55.762 44.667 38.278 1.00 0.00 H new ATOM 0 HB2 ALA A 38 57.379 45.402 38.157 1.00 0.00 H new ATOM 0 HB3 ALA A 38 56.359 45.250 36.706 1.00 0.00 H new ATOM 576 N HIS A 39 55.941 41.330 37.428 1.00 0.00 N ATOM 577 CA HIS A 39 54.962 40.308 37.056 1.00 0.00 C ATOM 578 C HIS A 39 54.461 39.561 38.307 1.00 0.00 C ATOM 579 O HIS A 39 55.273 39.125 39.129 1.00 0.00 O ATOM 580 CB HIS A 39 55.611 39.327 36.070 1.00 0.00 C ATOM 581 CG HIS A 39 54.626 38.404 35.405 1.00 0.00 C ATOM 582 ND1 HIS A 39 54.554 37.038 35.534 1.00 0.00 N ATOM 583 CD2 HIS A 39 53.660 38.776 34.515 1.00 0.00 C ATOM 584 CE1 HIS A 39 53.585 36.594 34.719 1.00 0.00 C ATOM 585 NE2 HIS A 39 52.983 37.622 34.090 1.00 0.00 N ATOM 0 H HIS A 39 56.403 41.119 38.312 1.00 0.00 H new ATOM 0 HA HIS A 39 54.104 40.784 36.582 1.00 0.00 H new ATOM 0 HB2 HIS A 39 56.142 39.892 35.304 1.00 0.00 H new ATOM 0 HB3 HIS A 39 56.355 38.731 36.599 1.00 0.00 H new ATOM 0 HD2 HIS A 39 53.452 39.786 34.193 1.00 0.00 H new ATOM 0 HE1 HIS A 39 53.323 35.555 34.586 1.00 0.00 H new ATOM 0 HE2 HIS A 39 52.198 37.572 33.440 1.00 0.00 H new ATOM 593 N SER A 40 53.147 39.408 38.489 1.00 0.00 N ATOM 594 CA SER A 40 52.548 38.825 39.686 1.00 0.00 C ATOM 595 C SER A 40 52.426 37.304 39.554 1.00 0.00 C ATOM 596 O SER A 40 51.347 36.749 39.345 1.00 0.00 O ATOM 597 CB SER A 40 51.237 39.543 40.004 1.00 0.00 C ATOM 598 OG SER A 40 51.444 40.420 41.099 1.00 0.00 O ATOM 0 H SER A 40 52.458 39.693 37.793 1.00 0.00 H new ATOM 0 HA SER A 40 53.199 38.978 40.547 1.00 0.00 H new ATOM 0 HB2 SER A 40 50.893 40.102 39.134 1.00 0.00 H new ATOM 0 HB3 SER A 40 50.459 38.818 40.244 1.00 0.00 H new ATOM 0 HG SER A 40 50.607 40.886 41.308 1.00 0.00 H new ATOM 604 N SER A 41 53.572 36.632 39.649 1.00 0.00 N ATOM 605 CA SER A 41 53.737 35.180 39.539 1.00 0.00 C ATOM 606 C SER A 41 54.872 34.696 40.454 1.00 0.00 C ATOM 607 O SER A 41 55.708 35.508 40.866 1.00 0.00 O ATOM 608 CB SER A 41 54.054 34.812 38.080 1.00 0.00 C ATOM 609 OG SER A 41 55.335 35.276 37.674 1.00 0.00 O ATOM 0 H SER A 41 54.458 37.109 39.813 1.00 0.00 H new ATOM 0 HA SER A 41 52.811 34.695 39.848 1.00 0.00 H new ATOM 0 HB2 SER A 41 54.008 33.729 37.962 1.00 0.00 H new ATOM 0 HB3 SER A 41 53.292 35.237 37.426 1.00 0.00 H new ATOM 0 HG SER A 41 55.237 35.879 36.908 1.00 0.00 H new ATOM 615 N PRO A 42 54.999 33.384 40.728 1.00 0.00 N ATOM 616 CA PRO A 42 56.297 32.825 41.096 1.00 0.00 C ATOM 617 C PRO A 42 57.326 33.054 39.970 1.00 0.00 C ATOM 618 O PRO A 42 56.971 33.267 38.805 1.00 0.00 O ATOM 619 CB PRO A 42 56.038 31.340 41.369 1.00 0.00 C ATOM 620 CG PRO A 42 54.850 31.023 40.463 1.00 0.00 C ATOM 621 CD PRO A 42 54.032 32.315 40.502 1.00 0.00 C ATOM 0 HA PRO A 42 56.725 33.305 41.976 1.00 0.00 H new ATOM 0 HB2 PRO A 42 56.906 30.728 41.124 1.00 0.00 H new ATOM 0 HB3 PRO A 42 55.805 31.158 42.418 1.00 0.00 H new ATOM 0 HG2 PRO A 42 55.169 30.778 39.450 1.00 0.00 H new ATOM 0 HG3 PRO A 42 54.278 30.172 40.831 1.00 0.00 H new ATOM 0 HD2 PRO A 42 53.492 32.466 39.567 1.00 0.00 H new ATOM 0 HD3 PRO A 42 53.288 32.284 41.298 1.00 0.00 H new ATOM 629 N TRP A 43 58.613 33.007 40.325 1.00 0.00 N ATOM 630 CA TRP A 43 59.755 33.053 39.398 1.00 0.00 C ATOM 631 C TRP A 43 59.753 34.190 38.333 1.00 0.00 C ATOM 632 O TRP A 43 59.968 33.917 37.148 1.00 0.00 O ATOM 633 CB TRP A 43 59.942 31.644 38.806 1.00 0.00 C ATOM 634 CG TRP A 43 59.851 30.499 39.783 1.00 0.00 C ATOM 635 CD1 TRP A 43 59.010 29.443 39.681 1.00 0.00 C ATOM 636 CD2 TRP A 43 60.589 30.288 41.031 1.00 0.00 C ATOM 637 NE1 TRP A 43 59.201 28.581 40.743 1.00 0.00 N ATOM 638 CE2 TRP A 43 60.146 29.064 41.620 1.00 0.00 C ATOM 639 CE3 TRP A 43 61.580 31.008 41.731 1.00 0.00 C ATOM 640 CZ2 TRP A 43 60.654 28.583 42.835 1.00 0.00 C ATOM 641 CZ3 TRP A 43 62.093 30.539 42.954 1.00 0.00 C ATOM 642 CH2 TRP A 43 61.635 29.330 43.510 1.00 0.00 C ATOM 0 H TRP A 43 58.902 32.933 41.300 1.00 0.00 H new ATOM 0 HA TRP A 43 60.629 33.342 39.982 1.00 0.00 H new ATOM 0 HB2 TRP A 43 59.191 31.495 38.031 1.00 0.00 H new ATOM 0 HB3 TRP A 43 60.916 31.603 38.318 1.00 0.00 H new ATOM 0 HD1 TRP A 43 58.294 29.296 38.886 1.00 0.00 H new ATOM 0 HE1 TRP A 43 58.705 27.698 40.863 1.00 0.00 H new ATOM 0 HE3 TRP A 43 61.951 31.935 41.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 60.296 27.651 43.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 62.847 31.113 43.472 1.00 0.00 H new ATOM 0 HH2 TRP A 43 62.035 28.978 44.450 1.00 0.00 H new ATOM 653 N PRO A 44 59.548 35.476 38.702 1.00 0.00 N ATOM 654 CA PRO A 44 59.780 36.599 37.791 1.00 0.00 C ATOM 655 C PRO A 44 61.279 36.745 37.490 1.00 0.00 C ATOM 656 O PRO A 44 62.092 36.897 38.404 1.00 0.00 O ATOM 657 CB PRO A 44 59.201 37.831 38.480 1.00 0.00 C ATOM 658 CG PRO A 44 59.333 37.498 39.966 1.00 0.00 C ATOM 659 CD PRO A 44 59.170 35.978 40.017 1.00 0.00 C ATOM 0 HA PRO A 44 59.298 36.450 36.825 1.00 0.00 H new ATOM 0 HB2 PRO A 44 59.753 38.734 38.220 1.00 0.00 H new ATOM 0 HB3 PRO A 44 58.162 38.000 38.196 1.00 0.00 H new ATOM 0 HG2 PRO A 44 60.300 37.810 40.361 1.00 0.00 H new ATOM 0 HG3 PRO A 44 58.569 38.002 40.558 1.00 0.00 H new ATOM 0 HD2 PRO A 44 59.802 35.546 40.793 1.00 0.00 H new ATOM 0 HD3 PRO A 44 58.142 35.706 40.255 1.00 0.00 H new ATOM 667 N ALA A 45 61.637 36.687 36.208 1.00 0.00 N ATOM 668 CA ALA A 45 63.031 36.650 35.762 1.00 0.00 C ATOM 669 C ALA A 45 63.734 38.021 35.840 1.00 0.00 C ATOM 670 O ALA A 45 63.098 39.078 35.832 1.00 0.00 O ATOM 671 CB ALA A 45 63.097 36.040 34.355 1.00 0.00 C ATOM 0 H ALA A 45 60.963 36.664 35.443 1.00 0.00 H new ATOM 0 HA ALA A 45 63.588 36.016 36.452 1.00 0.00 H new ATOM 0 HB1 ALA A 45 64.134 36.011 34.019 1.00 0.00 H new ATOM 0 HB2 ALA A 45 62.694 35.027 34.378 1.00 0.00 H new ATOM 0 HB3 ALA A 45 62.510 36.648 33.667 1.00 0.00 H new ATOM 677 N PHE A 46 65.069 37.993 35.890 1.00 0.00 N ATOM 678 CA PHE A 46 65.923 39.184 35.963 1.00 0.00 C ATOM 679 C PHE A 46 66.927 39.216 34.799 1.00 0.00 C ATOM 680 O PHE A 46 67.240 38.191 34.189 1.00 0.00 O ATOM 681 CB PHE A 46 66.473 39.323 37.400 1.00 0.00 C ATOM 682 CG PHE A 46 67.868 38.814 37.667 1.00 0.00 C ATOM 683 CD1 PHE A 46 68.962 39.575 37.233 1.00 0.00 C ATOM 684 CD2 PHE A 46 68.080 37.620 38.380 1.00 0.00 C ATOM 685 CE1 PHE A 46 70.271 39.124 37.462 1.00 0.00 C ATOM 686 CE2 PHE A 46 69.397 37.186 38.633 1.00 0.00 C ATOM 687 CZ PHE A 46 70.490 37.934 38.169 1.00 0.00 C ATOM 0 H PHE A 46 65.599 37.122 35.881 1.00 0.00 H new ATOM 0 HA PHE A 46 65.362 40.105 35.801 1.00 0.00 H new ATOM 0 HB2 PHE A 46 66.443 40.379 37.670 1.00 0.00 H new ATOM 0 HB3 PHE A 46 65.791 38.802 38.072 1.00 0.00 H new ATOM 0 HD1 PHE A 46 68.797 40.511 36.721 1.00 0.00 H new ATOM 0 HD2 PHE A 46 67.239 37.040 38.731 1.00 0.00 H new ATOM 0 HE1 PHE A 46 71.110 39.695 37.093 1.00 0.00 H new ATOM 0 HE2 PHE A 46 69.566 36.274 39.186 1.00 0.00 H new ATOM 0 HZ PHE A 46 71.498 37.593 38.356 1.00 0.00 H new ATOM 697 N THR A 47 67.342 40.422 34.424 1.00 0.00 N ATOM 698 CA THR A 47 68.080 40.734 33.191 1.00 0.00 C ATOM 699 C THR A 47 69.550 41.040 33.446 1.00 0.00 C ATOM 700 O THR A 47 70.404 40.515 32.739 1.00 0.00 O ATOM 701 CB THR A 47 67.430 41.925 32.472 1.00 0.00 C ATOM 702 OG1 THR A 47 66.894 42.858 33.386 1.00 0.00 O ATOM 703 CG2 THR A 47 66.275 41.483 31.575 1.00 0.00 C ATOM 0 H THR A 47 67.168 41.251 34.993 1.00 0.00 H new ATOM 0 HA THR A 47 68.033 39.843 32.564 1.00 0.00 H new ATOM 0 HB THR A 47 68.227 42.377 31.881 1.00 0.00 H new ATOM 0 HG1 THR A 47 67.408 43.691 33.342 1.00 0.00 H new ATOM 0 HG21 THR A 47 65.842 42.354 31.084 1.00 0.00 H new ATOM 0 HG22 THR A 47 66.645 40.788 30.821 1.00 0.00 H new ATOM 0 HG23 THR A 47 65.513 40.990 32.179 1.00 0.00 H new ATOM 711 N GLU A 48 69.858 41.841 34.471 1.00 0.00 N ATOM 712 CA GLU A 48 71.195 42.205 34.883 1.00 0.00 C ATOM 713 C GLU A 48 71.407 42.205 36.400 1.00 0.00 C ATOM 714 O GLU A 48 70.496 42.355 37.212 1.00 0.00 O ATOM 715 CB GLU A 48 71.585 43.569 34.326 1.00 0.00 C ATOM 716 CG GLU A 48 70.555 44.684 34.189 1.00 0.00 C ATOM 717 CD GLU A 48 69.627 44.598 32.970 1.00 0.00 C ATOM 718 OE1 GLU A 48 70.082 44.248 31.858 1.00 0.00 O ATOM 719 OE2 GLU A 48 68.427 44.929 33.113 1.00 0.00 O ATOM 0 H GLU A 48 69.140 42.267 35.056 1.00 0.00 H new ATOM 0 HA GLU A 48 71.837 41.426 34.472 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.389 43.952 34.954 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.007 43.401 33.335 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.940 44.696 35.089 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.083 45.637 34.152 1.00 0.00 H new ATOM 726 N THR A 49 72.677 42.061 36.752 1.00 0.00 N ATOM 727 CA THR A 49 73.182 41.890 38.126 1.00 0.00 C ATOM 728 C THR A 49 73.672 43.192 38.758 1.00 0.00 C ATOM 729 O THR A 49 74.412 43.955 38.145 1.00 0.00 O ATOM 730 CB THR A 49 74.309 40.844 38.223 1.00 0.00 C ATOM 731 OG1 THR A 49 75.314 41.063 37.263 1.00 0.00 O ATOM 732 CG2 THR A 49 73.819 39.416 38.012 1.00 0.00 C ATOM 0 H THR A 49 73.427 42.059 36.061 1.00 0.00 H new ATOM 0 HA THR A 49 72.314 41.536 38.683 1.00 0.00 H new ATOM 0 HB THR A 49 74.697 40.961 39.235 1.00 0.00 H new ATOM 0 HG1 THR A 49 76.011 40.381 37.358 1.00 0.00 H new ATOM 0 HG21 THR A 49 74.660 38.727 38.093 1.00 0.00 H new ATOM 0 HG22 THR A 49 73.075 39.171 38.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 73.371 39.328 37.022 1.00 0.00 H new ATOM 740 N ILE A 50 73.301 43.406 40.027 1.00 0.00 N ATOM 741 CA ILE A 50 73.740 44.532 40.867 1.00 0.00 C ATOM 742 C ILE A 50 74.806 44.116 41.903 1.00 0.00 C ATOM 743 O ILE A 50 75.530 44.950 42.444 1.00 0.00 O ATOM 744 CB ILE A 50 72.520 45.167 41.571 1.00 0.00 C ATOM 745 CG1 ILE A 50 71.174 45.049 40.806 1.00 0.00 C ATOM 746 CG2 ILE A 50 72.803 46.651 41.856 1.00 0.00 C ATOM 747 CD1 ILE A 50 70.394 43.759 41.133 1.00 0.00 C ATOM 0 H ILE A 50 72.664 42.778 40.516 1.00 0.00 H new ATOM 0 HA ILE A 50 74.208 45.267 40.212 1.00 0.00 H new ATOM 0 HB ILE A 50 72.392 44.592 42.488 1.00 0.00 H new ATOM 0 HG12 ILE A 50 70.552 45.911 41.045 1.00 0.00 H new ATOM 0 HG13 ILE A 50 71.369 45.085 39.734 1.00 0.00 H new ATOM 0 HG21 ILE A 50 71.941 47.097 42.353 1.00 0.00 H new ATOM 0 HG22 ILE A 50 73.678 46.737 42.500 1.00 0.00 H new ATOM 0 HG23 ILE A 50 72.991 47.172 40.917 1.00 0.00 H new ATOM 0 HD11 ILE A 50 69.464 43.742 40.564 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.998 42.891 40.867 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.168 43.731 42.199 1.00 0.00 H new ATOM 759 N HIS A 51 74.892 42.813 42.179 1.00 0.00 N ATOM 760 CA HIS A 51 75.885 42.198 43.068 1.00 0.00 C ATOM 761 C HIS A 51 77.318 42.376 42.514 1.00 0.00 C ATOM 762 O HIS A 51 77.499 42.299 41.296 1.00 0.00 O ATOM 763 CB HIS A 51 75.553 40.700 43.245 1.00 0.00 C ATOM 764 CG HIS A 51 75.155 40.307 44.646 1.00 0.00 C ATOM 765 ND1 HIS A 51 73.923 40.487 45.242 1.00 0.00 N ATOM 766 CD2 HIS A 51 75.936 39.624 45.542 1.00 0.00 C ATOM 767 CE1 HIS A 51 73.963 39.926 46.463 1.00 0.00 C ATOM 768 NE2 HIS A 51 75.173 39.394 46.689 1.00 0.00 N ATOM 0 H HIS A 51 74.250 42.131 41.776 1.00 0.00 H new ATOM 0 HA HIS A 51 75.845 42.695 44.037 1.00 0.00 H new ATOM 0 HB2 HIS A 51 74.743 40.438 42.564 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.421 40.111 42.949 1.00 0.00 H new ATOM 0 HD1 HIS A 51 73.122 40.963 44.828 1.00 0.00 H new ATOM 0 HD2 HIS A 51 76.960 39.318 45.388 1.00 0.00 H new ATOM 0 HE1 HIS A 51 73.139 39.907 47.161 1.00 0.00 H new ATOM 776 N PRO A 52 78.341 42.567 43.371 1.00 0.00 N ATOM 777 CA PRO A 52 79.725 42.740 42.932 1.00 0.00 C ATOM 778 C PRO A 52 80.311 41.457 42.323 1.00 0.00 C ATOM 779 O PRO A 52 79.965 40.344 42.703 1.00 0.00 O ATOM 780 CB PRO A 52 80.496 43.186 44.181 1.00 0.00 C ATOM 781 CG PRO A 52 79.705 42.546 45.322 1.00 0.00 C ATOM 782 CD PRO A 52 78.262 42.633 44.824 1.00 0.00 C ATOM 0 HA PRO A 52 79.795 43.478 42.133 1.00 0.00 H new ATOM 0 HB2 PRO A 52 81.529 42.839 44.162 1.00 0.00 H new ATOM 0 HB3 PRO A 52 80.526 44.272 44.270 1.00 0.00 H new ATOM 0 HG2 PRO A 52 80.011 41.515 45.497 1.00 0.00 H new ATOM 0 HG3 PRO A 52 79.842 43.083 46.260 1.00 0.00 H new ATOM 0 HD2 PRO A 52 77.661 41.815 45.221 1.00 0.00 H new ATOM 0 HD3 PRO A 52 77.791 43.561 45.149 1.00 0.00 H new ATOM 790 N ASP A 53 81.300 41.599 41.445 1.00 0.00 N ATOM 791 CA ASP A 53 81.928 40.568 40.616 1.00 0.00 C ATOM 792 C ASP A 53 82.958 39.705 41.372 1.00 0.00 C ATOM 793 O ASP A 53 83.829 39.051 40.798 1.00 0.00 O ATOM 794 CB ASP A 53 82.453 41.210 39.325 1.00 0.00 C ATOM 795 CG ASP A 53 83.504 42.303 39.537 1.00 0.00 C ATOM 796 OD1 ASP A 53 83.244 43.264 40.297 1.00 0.00 O ATOM 797 OD2 ASP A 53 84.588 42.217 38.918 1.00 0.00 O ATOM 0 H ASP A 53 81.720 42.514 41.279 1.00 0.00 H new ATOM 0 HA ASP A 53 81.171 39.835 40.336 1.00 0.00 H new ATOM 0 HB2 ASP A 53 82.881 40.430 38.695 1.00 0.00 H new ATOM 0 HB3 ASP A 53 81.611 41.635 38.778 1.00 0.00 H new ATOM 802 N SER A 54 82.815 39.708 42.693 1.00 0.00 N ATOM 803 CA SER A 54 83.233 38.627 43.599 1.00 0.00 C ATOM 804 C SER A 54 82.363 37.366 43.528 1.00 0.00 C ATOM 805 O SER A 54 82.763 36.283 43.969 1.00 0.00 O ATOM 806 CB SER A 54 83.180 39.111 45.043 1.00 0.00 C ATOM 807 OG SER A 54 84.342 39.822 45.406 1.00 0.00 O ATOM 0 H SER A 54 82.389 40.491 43.188 1.00 0.00 H new ATOM 0 HA SER A 54 84.240 38.365 43.275 1.00 0.00 H new ATOM 0 HB2 SER A 54 82.307 39.750 45.179 1.00 0.00 H new ATOM 0 HB3 SER A 54 83.056 38.256 45.707 1.00 0.00 H new ATOM 0 HG SER A 54 84.268 40.116 46.338 1.00 0.00 H new ATOM 813 N VAL A 55 81.162 37.522 42.983 1.00 0.00 N ATOM 814 CA VAL A 55 80.302 36.407 42.572 1.00 0.00 C ATOM 815 C VAL A 55 80.947 35.715 41.372 1.00 0.00 C ATOM 816 O VAL A 55 81.416 36.345 40.419 1.00 0.00 O ATOM 817 CB VAL A 55 78.827 36.789 42.302 1.00 0.00 C ATOM 818 CG1 VAL A 55 78.187 37.512 43.492 1.00 0.00 C ATOM 819 CG2 VAL A 55 78.601 37.637 41.044 1.00 0.00 C ATOM 0 H VAL A 55 80.748 38.438 42.810 1.00 0.00 H new ATOM 0 HA VAL A 55 80.234 35.720 43.415 1.00 0.00 H new ATOM 0 HB VAL A 55 78.346 35.825 42.140 1.00 0.00 H new ATOM 0 HG11 VAL A 55 77.152 37.759 43.254 1.00 0.00 H new ATOM 0 HG12 VAL A 55 78.213 36.864 44.368 1.00 0.00 H new ATOM 0 HG13 VAL A 55 78.740 38.428 43.702 1.00 0.00 H new ATOM 0 HG21 VAL A 55 77.538 37.855 40.938 1.00 0.00 H new ATOM 0 HG22 VAL A 55 79.156 38.571 41.130 1.00 0.00 H new ATOM 0 HG23 VAL A 55 78.948 37.089 40.168 1.00 0.00 H new ATOM 829 N THR A 56 80.983 34.395 41.442 1.00 0.00 N ATOM 830 CA THR A 56 81.626 33.513 40.458 1.00 0.00 C ATOM 831 C THR A 56 80.678 32.417 40.019 1.00 0.00 C ATOM 832 O THR A 56 79.800 32.009 40.768 1.00 0.00 O ATOM 833 CB THR A 56 82.955 32.954 40.969 1.00 0.00 C ATOM 834 OG1 THR A 56 83.591 32.219 39.950 1.00 0.00 O ATOM 835 CG2 THR A 56 82.840 32.070 42.212 1.00 0.00 C ATOM 0 H THR A 56 80.552 33.881 42.210 1.00 0.00 H new ATOM 0 HA THR A 56 81.865 34.114 39.581 1.00 0.00 H new ATOM 0 HB THR A 56 83.540 33.826 41.260 1.00 0.00 H new ATOM 0 HG1 THR A 56 84.442 31.866 40.284 1.00 0.00 H new ATOM 0 HG21 THR A 56 83.830 31.719 42.502 1.00 0.00 H new ATOM 0 HG22 THR A 56 82.405 32.646 43.029 1.00 0.00 H new ATOM 0 HG23 THR A 56 82.202 31.214 41.992 1.00 0.00 H new ATOM 843 N LYS A 57 80.804 31.968 38.775 1.00 0.00 N ATOM 844 CA LYS A 57 79.811 31.106 38.139 1.00 0.00 C ATOM 845 C LYS A 57 80.350 29.818 37.535 1.00 0.00 C ATOM 846 O LYS A 57 81.498 29.750 37.106 1.00 0.00 O ATOM 847 CB LYS A 57 78.990 31.894 37.130 1.00 0.00 C ATOM 848 CG LYS A 57 79.620 32.931 36.212 1.00 0.00 C ATOM 849 CD LYS A 57 80.697 32.441 35.238 1.00 0.00 C ATOM 850 CE LYS A 57 80.948 33.528 34.174 1.00 0.00 C ATOM 851 NZ LYS A 57 82.302 33.438 33.572 1.00 0.00 N ATOM 0 H LYS A 57 81.599 32.191 38.177 1.00 0.00 H new ATOM 0 HA LYS A 57 79.169 30.766 38.951 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.496 31.164 36.488 1.00 0.00 H new ATOM 0 HB3 LYS A 57 78.208 32.405 37.692 1.00 0.00 H new ATOM 0 HG2 LYS A 57 78.824 33.395 35.630 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.057 33.712 36.834 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.619 32.222 35.776 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.379 31.514 34.761 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.199 33.441 33.387 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.821 34.511 34.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.418 34.191 32.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.021 33.548 34.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.417 32.511 33.114 1.00 0.00 H new ATOM 865 N CYS A 58 79.471 28.823 37.442 1.00 0.00 N ATOM 866 CA CYS A 58 79.765 27.518 36.868 1.00 0.00 C ATOM 867 C CYS A 58 78.609 26.910 36.044 1.00 0.00 C ATOM 868 O CYS A 58 77.442 26.982 36.436 1.00 0.00 O ATOM 869 CB CYS A 58 80.216 26.578 37.985 1.00 0.00 C ATOM 870 SG CYS A 58 79.039 26.490 39.372 1.00 0.00 S ATOM 0 H CYS A 58 78.510 28.907 37.773 1.00 0.00 H new ATOM 0 HA CYS A 58 80.567 27.656 36.143 1.00 0.00 H new ATOM 0 HB2 CYS A 58 80.358 25.578 37.574 1.00 0.00 H new ATOM 0 HB3 CYS A 58 81.185 26.909 38.360 1.00 0.00 H new ATOM 0 HG CYS A 58 79.493 25.672 40.275 1.00 0.00 H new ATOM 876 N PRO A 59 78.911 26.265 34.902 1.00 0.00 N ATOM 877 CA PRO A 59 77.888 25.695 34.035 1.00 0.00 C ATOM 878 C PRO A 59 77.253 24.449 34.644 1.00 0.00 C ATOM 879 O PRO A 59 77.870 23.718 35.426 1.00 0.00 O ATOM 880 CB PRO A 59 78.572 25.389 32.705 1.00 0.00 C ATOM 881 CG PRO A 59 80.039 25.195 33.088 1.00 0.00 C ATOM 882 CD PRO A 59 80.238 26.025 34.357 1.00 0.00 C ATOM 0 HA PRO A 59 77.065 26.397 33.897 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.158 24.495 32.238 1.00 0.00 H new ATOM 0 HB3 PRO A 59 78.448 26.206 31.994 1.00 0.00 H new ATOM 0 HG2 PRO A 59 80.263 24.143 33.267 1.00 0.00 H new ATOM 0 HG3 PRO A 59 80.702 25.531 32.290 1.00 0.00 H new ATOM 0 HD2 PRO A 59 80.863 25.493 35.075 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.741 26.965 34.131 1.00 0.00 H new ATOM 890 N GLU A 60 76.019 24.175 34.239 1.00 0.00 N ATOM 891 CA GLU A 60 75.381 22.905 34.532 1.00 0.00 C ATOM 892 C GLU A 60 76.013 21.743 33.757 1.00 0.00 C ATOM 893 O GLU A 60 76.502 21.875 32.637 1.00 0.00 O ATOM 894 CB GLU A 60 73.896 22.935 34.221 1.00 0.00 C ATOM 895 CG GLU A 60 73.100 24.067 34.886 1.00 0.00 C ATOM 896 CD GLU A 60 72.955 23.872 36.397 1.00 0.00 C ATOM 897 OE1 GLU A 60 73.361 22.819 36.943 1.00 0.00 O ATOM 898 OE2 GLU A 60 72.404 24.759 37.080 1.00 0.00 O ATOM 0 H GLU A 60 75.440 24.822 33.704 1.00 0.00 H new ATOM 0 HA GLU A 60 75.529 22.745 35.600 1.00 0.00 H new ATOM 0 HB2 GLU A 60 73.771 23.013 33.141 1.00 0.00 H new ATOM 0 HB3 GLU A 60 73.461 21.983 34.524 1.00 0.00 H new ATOM 0 HG2 GLU A 60 73.596 25.018 34.692 1.00 0.00 H new ATOM 0 HG3 GLU A 60 72.110 24.125 34.434 1.00 0.00 H new ATOM 905 N LYS A 61 75.942 20.565 34.372 1.00 0.00 N ATOM 906 CA LYS A 61 76.574 19.313 33.927 1.00 0.00 C ATOM 907 C LYS A 61 75.585 18.240 33.485 1.00 0.00 C ATOM 908 O LYS A 61 75.812 17.429 32.593 1.00 0.00 O ATOM 909 CB LYS A 61 77.487 18.772 35.031 1.00 0.00 C ATOM 910 CG LYS A 61 76.981 18.935 36.457 1.00 0.00 C ATOM 911 CD LYS A 61 77.458 20.221 37.127 1.00 0.00 C ATOM 912 CE LYS A 61 76.876 20.354 38.542 1.00 0.00 C ATOM 913 NZ LYS A 61 77.635 19.585 39.556 1.00 0.00 N ATOM 0 H LYS A 61 75.417 20.445 35.238 1.00 0.00 H new ATOM 0 HA LYS A 61 77.157 19.562 33.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 77.657 17.711 34.846 1.00 0.00 H new ATOM 0 HB3 LYS A 61 78.454 19.269 34.951 1.00 0.00 H new ATOM 0 HG2 LYS A 61 75.891 18.920 36.452 1.00 0.00 H new ATOM 0 HG3 LYS A 61 77.309 18.082 37.051 1.00 0.00 H new ATOM 0 HD2 LYS A 61 78.547 20.227 37.176 1.00 0.00 H new ATOM 0 HD3 LYS A 61 77.161 21.080 36.526 1.00 0.00 H new ATOM 0 HE2 LYS A 61 76.864 21.406 38.826 1.00 0.00 H new ATOM 0 HE3 LYS A 61 75.841 20.014 38.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 77.195 19.714 40.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 77.626 18.576 39.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 78.617 19.925 39.586 1.00 0.00 H new ATOM 927 N ASN A 62 74.492 18.306 34.208 1.00 0.00 N ATOM 928 CA ASN A 62 73.254 17.554 34.240 1.00 0.00 C ATOM 929 C ASN A 62 72.116 18.308 33.549 1.00 0.00 C ATOM 930 O ASN A 62 71.038 17.755 33.367 1.00 0.00 O ATOM 931 CB ASN A 62 72.974 17.301 35.746 1.00 0.00 C ATOM 932 CG ASN A 62 73.362 18.436 36.638 1.00 0.00 C ATOM 933 OD1 ASN A 62 73.336 19.611 36.306 1.00 0.00 O ATOM 934 ND2 ASN A 62 73.753 18.063 37.807 1.00 0.00 N ATOM 0 H ASN A 62 74.447 19.030 34.925 1.00 0.00 H new ATOM 0 HA ASN A 62 73.331 16.615 33.691 1.00 0.00 H new ATOM 0 HB2 ASN A 62 71.911 17.096 35.878 1.00 0.00 H new ATOM 0 HB3 ASN A 62 73.512 16.406 36.059 1.00 0.00 H new ATOM 0 HD21 ASN A 62 74.054 18.758 38.490 1.00 0.00 H new ATOM 0 HD22 ASN A 62 73.762 17.072 38.050 1.00 0.00 H new ATOM 941 N ARG A 63 72.365 19.572 33.181 1.00 0.00 N ATOM 942 CA ARG A 63 71.423 20.477 32.527 1.00 0.00 C ATOM 943 C ARG A 63 72.072 21.364 31.449 1.00 0.00 C ATOM 944 O ARG A 63 71.998 22.584 31.568 1.00 0.00 O ATOM 945 CB ARG A 63 70.668 21.312 33.566 1.00 0.00 C ATOM 946 CG ARG A 63 70.109 20.502 34.734 1.00 0.00 C ATOM 947 CD ARG A 63 68.978 21.245 35.438 1.00 0.00 C ATOM 948 NE ARG A 63 67.834 21.491 34.540 1.00 0.00 N ATOM 949 CZ ARG A 63 67.104 20.593 33.909 1.00 0.00 C ATOM 950 NH1 ARG A 63 67.094 19.337 34.240 1.00 0.00 N ATOM 951 NH2 ARG A 63 66.406 20.979 32.886 1.00 0.00 N ATOM 0 H ARG A 63 73.273 20.008 33.341 1.00 0.00 H new ATOM 0 HA ARG A 63 70.707 19.850 31.995 1.00 0.00 H new ATOM 0 HB2 ARG A 63 71.338 22.077 33.957 1.00 0.00 H new ATOM 0 HB3 ARG A 63 69.846 21.830 33.072 1.00 0.00 H new ATOM 0 HG2 ARG A 63 69.744 19.541 34.370 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.906 20.291 35.447 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.645 20.666 36.299 1.00 0.00 H new ATOM 0 HD3 ARG A 63 69.351 22.196 35.819 1.00 0.00 H new ATOM 0 HE ARG A 63 67.579 22.467 34.390 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.667 19.010 35.018 1.00 0.00 H new ATOM 0 HH12 ARG A 63 66.513 18.678 33.722 1.00 0.00 H new ATOM 0 HH21 ARG A 63 66.432 21.955 32.590 1.00 0.00 H new ATOM 0 HH22 ARG A 63 65.831 20.307 32.378 1.00 0.00 H new ATOM 965 N PRO A 64 72.732 20.795 30.421 1.00 0.00 N ATOM 966 CA PRO A 64 73.797 21.442 29.630 1.00 0.00 C ATOM 967 C PRO A 64 73.348 22.519 28.617 1.00 0.00 C ATOM 968 O PRO A 64 73.979 22.748 27.590 1.00 0.00 O ATOM 969 CB PRO A 64 74.561 20.271 28.996 1.00 0.00 C ATOM 970 CG PRO A 64 73.464 19.228 28.783 1.00 0.00 C ATOM 971 CD PRO A 64 72.597 19.398 30.029 1.00 0.00 C ATOM 0 HA PRO A 64 74.423 22.055 30.278 1.00 0.00 H new ATOM 0 HB2 PRO A 64 75.034 20.558 28.057 1.00 0.00 H new ATOM 0 HB3 PRO A 64 75.350 19.901 29.651 1.00 0.00 H new ATOM 0 HG2 PRO A 64 72.900 19.413 27.869 1.00 0.00 H new ATOM 0 HG3 PRO A 64 73.872 18.220 28.707 1.00 0.00 H new ATOM 0 HD2 PRO A 64 71.557 19.150 29.818 1.00 0.00 H new ATOM 0 HD3 PRO A 64 72.927 18.734 30.828 1.00 0.00 H new ATOM 979 N GLU A 65 72.251 23.194 28.935 1.00 0.00 N ATOM 980 CA GLU A 65 71.534 24.218 28.186 1.00 0.00 C ATOM 981 C GLU A 65 71.291 25.485 29.039 1.00 0.00 C ATOM 982 O GLU A 65 70.474 26.334 28.691 1.00 0.00 O ATOM 983 CB GLU A 65 70.217 23.633 27.621 1.00 0.00 C ATOM 984 CG GLU A 65 70.327 22.188 27.171 1.00 0.00 C ATOM 985 CD GLU A 65 69.157 21.696 26.309 1.00 0.00 C ATOM 986 OE1 GLU A 65 68.072 21.398 26.865 1.00 0.00 O ATOM 987 OE2 GLU A 65 69.333 21.486 25.084 1.00 0.00 O ATOM 0 H GLU A 65 71.790 23.016 29.827 1.00 0.00 H new ATOM 0 HA GLU A 65 72.153 24.532 27.345 1.00 0.00 H new ATOM 0 HB2 GLU A 65 69.442 23.707 28.384 1.00 0.00 H new ATOM 0 HB3 GLU A 65 69.893 24.242 26.777 1.00 0.00 H new ATOM 0 HG2 GLU A 65 71.252 22.066 26.608 1.00 0.00 H new ATOM 0 HG3 GLU A 65 70.404 21.552 28.053 1.00 0.00 H new ATOM 994 N ALA A 66 71.962 25.583 30.194 1.00 0.00 N ATOM 995 CA ALA A 66 71.922 26.668 31.165 1.00 0.00 C ATOM 996 C ALA A 66 73.190 26.637 32.043 1.00 0.00 C ATOM 997 O ALA A 66 73.954 25.667 32.049 1.00 0.00 O ATOM 998 CB ALA A 66 70.657 26.514 32.026 1.00 0.00 C ATOM 0 H ALA A 66 72.596 24.842 30.491 1.00 0.00 H new ATOM 0 HA ALA A 66 71.892 27.629 30.651 1.00 0.00 H new ATOM 0 HB1 ALA A 66 70.615 27.321 32.758 1.00 0.00 H new ATOM 0 HB2 ALA A 66 69.775 26.557 31.387 1.00 0.00 H new ATOM 0 HB3 ALA A 66 70.684 25.555 32.544 1.00 0.00 H new ATOM 1004 N LEU A 67 73.390 27.700 32.818 1.00 0.00 N ATOM 1005 CA LEU A 67 74.490 27.853 33.780 1.00 0.00 C ATOM 1006 C LEU A 67 73.958 28.391 35.114 1.00 0.00 C ATOM 1007 O LEU A 67 72.837 28.900 35.200 1.00 0.00 O ATOM 1008 CB LEU A 67 75.583 28.709 33.102 1.00 0.00 C ATOM 1009 CG LEU A 67 76.700 29.347 33.955 1.00 0.00 C ATOM 1010 CD1 LEU A 67 78.018 29.440 33.188 1.00 0.00 C ATOM 1011 CD2 LEU A 67 76.326 30.765 34.382 1.00 0.00 C ATOM 0 H LEU A 67 72.771 28.510 32.796 1.00 0.00 H new ATOM 0 HA LEU A 67 74.951 26.902 34.046 1.00 0.00 H new ATOM 0 HB2 LEU A 67 76.065 28.084 32.351 1.00 0.00 H new ATOM 0 HB3 LEU A 67 75.080 29.516 32.570 1.00 0.00 H new ATOM 0 HG LEU A 67 76.819 28.701 34.825 1.00 0.00 H new ATOM 0 HD11 LEU A 67 78.778 29.895 33.824 1.00 0.00 H new ATOM 0 HD12 LEU A 67 78.340 28.441 32.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 77.878 30.051 32.296 1.00 0.00 H new ATOM 0 HD21 LEU A 67 77.132 31.189 34.981 1.00 0.00 H new ATOM 0 HD22 LEU A 67 76.169 31.382 33.497 1.00 0.00 H new ATOM 0 HD23 LEU A 67 75.410 30.738 34.973 1.00 0.00 H new ATOM 1023 N LYS A 68 74.743 28.254 36.183 1.00 0.00 N ATOM 1024 CA LYS A 68 74.462 28.881 37.470 1.00 0.00 C ATOM 1025 C LYS A 68 75.594 29.742 38.002 1.00 0.00 C ATOM 1026 O LYS A 68 76.766 29.531 37.708 1.00 0.00 O ATOM 1027 CB LYS A 68 74.037 27.808 38.462 1.00 0.00 C ATOM 1028 CG LYS A 68 74.951 26.578 38.473 1.00 0.00 C ATOM 1029 CD LYS A 68 74.378 25.679 39.542 1.00 0.00 C ATOM 1030 CE LYS A 68 75.045 24.308 39.584 1.00 0.00 C ATOM 1031 NZ LYS A 68 74.023 23.237 39.550 1.00 0.00 N ATOM 0 H LYS A 68 75.599 27.699 36.177 1.00 0.00 H new ATOM 0 HA LYS A 68 73.644 29.586 37.321 1.00 0.00 H new ATOM 0 HB2 LYS A 68 74.013 28.240 39.462 1.00 0.00 H new ATOM 0 HB3 LYS A 68 73.021 27.492 38.227 1.00 0.00 H new ATOM 0 HG2 LYS A 68 74.959 26.083 37.502 1.00 0.00 H new ATOM 0 HG3 LYS A 68 75.981 26.853 38.698 1.00 0.00 H new ATOM 0 HD2 LYS A 68 74.489 26.161 40.513 1.00 0.00 H new ATOM 0 HD3 LYS A 68 73.309 25.552 39.369 1.00 0.00 H new ATOM 0 HE2 LYS A 68 75.723 24.200 38.737 1.00 0.00 H new ATOM 0 HE3 LYS A 68 75.647 24.217 40.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 74.375 22.404 40.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 73.149 23.577 39.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 73.826 22.976 38.563 1.00 0.00 H new ATOM 1045 N VAL A 69 75.222 30.717 38.818 1.00 0.00 N ATOM 1046 CA VAL A 69 76.145 31.609 39.512 1.00 0.00 C ATOM 1047 C VAL A 69 76.083 31.380 41.022 1.00 0.00 C ATOM 1048 O VAL A 69 75.008 31.173 41.589 1.00 0.00 O ATOM 1049 CB VAL A 69 75.830 33.078 39.178 1.00 0.00 C ATOM 1050 CG1 VAL A 69 76.976 33.975 39.667 1.00 0.00 C ATOM 1051 CG2 VAL A 69 75.519 33.355 37.697 1.00 0.00 C ATOM 0 H VAL A 69 74.243 30.917 39.023 1.00 0.00 H new ATOM 0 HA VAL A 69 77.156 31.386 39.172 1.00 0.00 H new ATOM 0 HB VAL A 69 74.905 33.313 39.705 1.00 0.00 H new ATOM 0 HG11 VAL A 69 76.751 35.015 39.429 1.00 0.00 H new ATOM 0 HG12 VAL A 69 77.089 33.865 40.746 1.00 0.00 H new ATOM 0 HG13 VAL A 69 77.903 33.683 39.174 1.00 0.00 H new ATOM 0 HG21 VAL A 69 75.310 34.416 37.561 1.00 0.00 H new ATOM 0 HG22 VAL A 69 76.377 33.073 37.086 1.00 0.00 H new ATOM 0 HG23 VAL A 69 74.650 32.772 37.393 1.00 0.00 H new ATOM 1061 N SER A 70 77.230 31.481 41.692 1.00 0.00 N ATOM 1062 CA SER A 70 77.293 31.551 43.164 1.00 0.00 C ATOM 1063 C SER A 70 77.918 32.835 43.733 1.00 0.00 C ATOM 1064 O SER A 70 78.857 33.418 43.187 1.00 0.00 O ATOM 1065 CB SER A 70 77.937 30.298 43.779 1.00 0.00 C ATOM 1066 OG SER A 70 79.049 29.815 43.052 1.00 0.00 O ATOM 0 H SER A 70 78.143 31.517 41.238 1.00 0.00 H new ATOM 0 HA SER A 70 76.247 31.587 43.468 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.251 30.525 44.798 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.187 29.510 43.845 1.00 0.00 H new ATOM 0 HG SER A 70 79.411 29.020 43.497 1.00 0.00 H new ATOM 1072 N CYS A 71 77.405 33.257 44.894 1.00 0.00 N ATOM 1073 CA CYS A 71 77.969 34.325 45.695 1.00 0.00 C ATOM 1074 C CYS A 71 78.915 33.690 46.725 1.00 0.00 C ATOM 1075 O CYS A 71 78.540 33.350 47.847 1.00 0.00 O ATOM 1076 CB CYS A 71 76.816 35.134 46.301 1.00 0.00 C ATOM 1077 SG CYS A 71 77.456 36.502 47.312 1.00 0.00 S ATOM 0 H CYS A 71 76.565 32.849 45.304 1.00 0.00 H new ATOM 0 HA CYS A 71 78.564 35.030 45.114 1.00 0.00 H new ATOM 0 HB2 CYS A 71 76.183 35.528 45.505 1.00 0.00 H new ATOM 0 HB3 CYS A 71 76.191 34.484 46.913 1.00 0.00 H new ATOM 0 HG CYS A 71 77.773 36.058 48.492 1.00 0.00 H new ATOM 1082 N GLY A 72 80.156 33.467 46.304 1.00 0.00 N ATOM 1083 CA GLY A 72 81.193 32.977 47.217 1.00 0.00 C ATOM 1084 C GLY A 72 81.715 34.054 48.181 1.00 0.00 C ATOM 1085 O GLY A 72 82.389 33.703 49.149 1.00 0.00 O ATOM 0 H GLY A 72 80.470 33.615 45.345 1.00 0.00 H new ATOM 0 HA2 GLY A 72 80.793 32.144 47.796 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.027 32.588 46.633 1.00 0.00 H new ATOM 1089 N LYS A 73 81.356 35.330 47.961 1.00 0.00 N ATOM 1090 CA LYS A 73 81.548 36.469 48.878 1.00 0.00 C ATOM 1091 C LYS A 73 81.099 36.140 50.302 1.00 0.00 C ATOM 1092 O LYS A 73 81.816 36.395 51.271 1.00 0.00 O ATOM 1093 CB LYS A 73 80.725 37.657 48.349 1.00 0.00 C ATOM 1094 CG LYS A 73 81.542 38.925 48.118 1.00 0.00 C ATOM 1095 CD LYS A 73 81.761 39.661 49.436 1.00 0.00 C ATOM 1096 CE LYS A 73 80.629 40.636 49.786 1.00 0.00 C ATOM 1097 NZ LYS A 73 80.958 41.380 51.025 1.00 0.00 N ATOM 0 H LYS A 73 80.900 35.611 47.093 1.00 0.00 H new ATOM 0 HA LYS A 73 82.611 36.708 48.916 1.00 0.00 H new ATOM 0 HB2 LYS A 73 80.250 37.368 47.412 1.00 0.00 H new ATOM 0 HB3 LYS A 73 79.926 37.876 49.057 1.00 0.00 H new ATOM 0 HG2 LYS A 73 82.503 38.670 47.672 1.00 0.00 H new ATOM 0 HG3 LYS A 73 81.025 39.575 47.412 1.00 0.00 H new ATOM 0 HD2 LYS A 73 81.862 38.931 50.239 1.00 0.00 H new ATOM 0 HD3 LYS A 73 82.701 40.211 49.385 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.474 41.335 48.964 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.696 40.088 49.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.184 42.037 51.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 81.084 40.709 51.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.838 41.917 50.884 1.00 0.00 H new ATOM 1111 N CYS A 74 79.899 35.590 50.379 1.00 0.00 N ATOM 1112 CA CYS A 74 79.088 35.453 51.567 1.00 0.00 C ATOM 1113 C CYS A 74 78.605 33.992 51.787 1.00 0.00 C ATOM 1114 O CYS A 74 78.403 33.541 52.920 1.00 0.00 O ATOM 1115 CB CYS A 74 78.013 36.500 51.292 1.00 0.00 C ATOM 1116 SG CYS A 74 77.065 36.156 49.774 1.00 0.00 S ATOM 0 H CYS A 74 79.439 35.203 49.555 1.00 0.00 H new ATOM 0 HA CYS A 74 79.590 35.629 52.519 1.00 0.00 H new ATOM 0 HB2 CYS A 74 77.329 36.544 52.140 1.00 0.00 H new ATOM 0 HB3 CYS A 74 78.481 37.481 51.209 1.00 0.00 H new ATOM 0 HG CYS A 74 77.397 37.010 48.852 1.00 0.00 H new ATOM 1121 N GLY A 75 78.532 33.229 50.693 1.00 0.00 N ATOM 1122 CA GLY A 75 78.319 31.786 50.640 1.00 0.00 C ATOM 1123 C GLY A 75 76.875 31.424 50.298 1.00 0.00 C ATOM 1124 O GLY A 75 76.186 30.792 51.099 1.00 0.00 O ATOM 0 H GLY A 75 78.627 33.633 49.761 1.00 0.00 H new ATOM 0 HA2 GLY A 75 78.986 31.350 49.897 1.00 0.00 H new ATOM 0 HA3 GLY A 75 78.583 31.347 51.602 1.00 0.00 H new ATOM 1128 N ASN A 76 76.426 31.828 49.108 1.00 0.00 N ATOM 1129 CA ASN A 76 75.170 31.490 48.479 1.00 0.00 C ATOM 1130 C ASN A 76 75.488 30.928 47.076 1.00 0.00 C ATOM 1131 O ASN A 76 76.581 31.083 46.540 1.00 0.00 O ATOM 1132 CB ASN A 76 74.317 32.762 48.493 1.00 0.00 C ATOM 1133 CG ASN A 76 72.857 32.634 48.083 1.00 0.00 C ATOM 1134 OD1 ASN A 76 72.359 31.568 47.767 1.00 0.00 O ATOM 1135 ND2 ASN A 76 72.147 33.736 48.018 1.00 0.00 N ATOM 0 H ASN A 76 76.984 32.449 48.522 1.00 0.00 H new ATOM 0 HA ASN A 76 74.598 30.717 48.991 1.00 0.00 H new ATOM 0 HB2 ASN A 76 74.348 33.177 49.501 1.00 0.00 H new ATOM 0 HB3 ASN A 76 74.789 33.491 47.834 1.00 0.00 H new ATOM 0 HD21 ASN A 76 71.178 33.700 47.703 1.00 0.00 H new ATOM 0 HD22 ASN A 76 72.565 34.628 48.283 1.00 0.00 H new ATOM 1142 N GLY A 77 74.493 30.332 46.449 1.00 0.00 N ATOM 1143 CA GLY A 77 74.431 29.949 45.053 1.00 0.00 C ATOM 1144 C GLY A 77 73.180 30.568 44.488 1.00 0.00 C ATOM 1145 O GLY A 77 72.164 29.919 44.264 1.00 0.00 O ATOM 0 H GLY A 77 73.637 30.083 46.944 1.00 0.00 H new ATOM 0 HA2 GLY A 77 75.312 30.300 44.516 1.00 0.00 H new ATOM 0 HA3 GLY A 77 74.406 28.864 44.950 1.00 0.00 H new ATOM 1149 N LEU A 78 73.284 31.892 44.437 1.00 0.00 N ATOM 1150 CA LEU A 78 72.191 32.845 44.479 1.00 0.00 C ATOM 1151 C LEU A 78 71.201 32.669 43.338 1.00 0.00 C ATOM 1152 O LEU A 78 70.013 32.969 43.497 1.00 0.00 O ATOM 1153 CB LEU A 78 72.787 34.268 44.567 1.00 0.00 C ATOM 1154 CG LEU A 78 73.359 34.971 43.316 1.00 0.00 C ATOM 1155 CD1 LEU A 78 74.404 34.199 42.522 1.00 0.00 C ATOM 1156 CD2 LEU A 78 72.304 35.548 42.365 1.00 0.00 C ATOM 0 H LEU A 78 74.191 32.352 44.361 1.00 0.00 H new ATOM 0 HA LEU A 78 71.589 32.662 45.369 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.008 34.916 44.969 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.586 34.234 45.307 1.00 0.00 H new ATOM 0 HG LEU A 78 73.886 35.801 43.786 1.00 0.00 H new ATOM 0 HD11 LEU A 78 74.728 34.796 41.670 1.00 0.00 H new ATOM 0 HD12 LEU A 78 75.261 33.984 43.161 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.973 33.263 42.167 1.00 0.00 H new ATOM 0 HD21 LEU A 78 72.799 36.022 41.517 1.00 0.00 H new ATOM 0 HD22 LEU A 78 71.659 34.746 42.007 1.00 0.00 H new ATOM 0 HD23 LEU A 78 71.703 36.288 42.894 1.00 0.00 H new ATOM 1168 N GLY A 79 71.702 32.172 42.212 1.00 0.00 N ATOM 1169 CA GLY A 79 70.859 31.972 41.035 1.00 0.00 C ATOM 1170 C GLY A 79 71.431 31.228 39.832 1.00 0.00 C ATOM 1171 O GLY A 79 72.568 30.774 39.794 1.00 0.00 O ATOM 0 H GLY A 79 72.678 31.902 42.088 1.00 0.00 H new ATOM 0 HA2 GLY A 79 69.965 31.438 41.358 1.00 0.00 H new ATOM 0 HA3 GLY A 79 70.536 32.955 40.691 1.00 0.00 H new ATOM 1175 N HIS A 80 70.578 31.133 38.821 1.00 0.00 N ATOM 1176 CA HIS A 80 70.811 30.590 37.496 1.00 0.00 C ATOM 1177 C HIS A 80 70.939 31.712 36.453 1.00 0.00 C ATOM 1178 O HIS A 80 70.353 32.784 36.591 1.00 0.00 O ATOM 1179 CB HIS A 80 69.646 29.688 37.126 1.00 0.00 C ATOM 1180 CG HIS A 80 69.448 28.454 37.976 1.00 0.00 C ATOM 1181 ND1 HIS A 80 68.480 28.282 38.940 1.00 0.00 N ATOM 1182 CD2 HIS A 80 70.104 27.256 37.845 1.00 0.00 C ATOM 1183 CE1 HIS A 80 68.540 27.012 39.375 1.00 0.00 C ATOM 1184 NE2 HIS A 80 69.514 26.344 38.735 1.00 0.00 N ATOM 0 H HIS A 80 69.619 31.465 38.920 1.00 0.00 H new ATOM 0 HA HIS A 80 71.744 30.026 37.506 1.00 0.00 H new ATOM 0 HB2 HIS A 80 68.731 30.279 37.166 1.00 0.00 H new ATOM 0 HB3 HIS A 80 69.776 29.371 36.091 1.00 0.00 H new ATOM 0 HD2 HIS A 80 70.927 27.051 37.177 1.00 0.00 H new ATOM 0 HE1 HIS A 80 67.896 26.588 40.132 1.00 0.00 H new ATOM 0 HE2 HIS A 80 69.774 25.367 38.869 1.00 0.00 H new ATOM 1192 N GLU A 81 71.620 31.419 35.354 1.00 0.00 N ATOM 1193 CA GLU A 81 71.854 32.275 34.201 1.00 0.00 C ATOM 1194 C GLU A 81 71.790 31.405 32.938 1.00 0.00 C ATOM 1195 O GLU A 81 72.561 30.461 32.764 1.00 0.00 O ATOM 1196 CB GLU A 81 73.244 32.904 34.347 1.00 0.00 C ATOM 1197 CG GLU A 81 73.625 33.890 33.228 1.00 0.00 C ATOM 1198 CD GLU A 81 75.040 34.487 33.383 1.00 0.00 C ATOM 1199 OE1 GLU A 81 75.651 34.400 34.475 1.00 0.00 O ATOM 1200 OE2 GLU A 81 75.555 35.106 32.420 1.00 0.00 O ATOM 0 H GLU A 81 72.057 30.505 35.237 1.00 0.00 H new ATOM 0 HA GLU A 81 71.106 33.065 34.132 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.294 33.424 35.303 1.00 0.00 H new ATOM 0 HB3 GLU A 81 73.987 32.107 34.379 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.559 33.379 32.267 1.00 0.00 H new ATOM 0 HG3 GLU A 81 72.898 34.702 33.208 1.00 0.00 H new ATOM 1207 N PHE A 82 70.865 31.694 32.033 1.00 0.00 N ATOM 1208 CA PHE A 82 70.857 31.046 30.720 1.00 0.00 C ATOM 1209 C PHE A 82 72.017 31.588 29.866 1.00 0.00 C ATOM 1210 O PHE A 82 71.952 32.690 29.318 1.00 0.00 O ATOM 1211 CB PHE A 82 69.493 31.236 30.037 1.00 0.00 C ATOM 1212 CG PHE A 82 69.447 30.763 28.592 1.00 0.00 C ATOM 1213 CD1 PHE A 82 69.393 29.388 28.297 1.00 0.00 C ATOM 1214 CD2 PHE A 82 69.504 31.696 27.537 1.00 0.00 C ATOM 1215 CE1 PHE A 82 69.394 28.951 26.959 1.00 0.00 C ATOM 1216 CE2 PHE A 82 69.502 31.260 26.200 1.00 0.00 C ATOM 1217 CZ PHE A 82 69.446 29.885 25.910 1.00 0.00 C ATOM 0 H PHE A 82 70.113 32.368 32.178 1.00 0.00 H new ATOM 0 HA PHE A 82 71.007 29.973 30.840 1.00 0.00 H new ATOM 0 HB2 PHE A 82 68.736 30.698 30.608 1.00 0.00 H new ATOM 0 HB3 PHE A 82 69.227 32.292 30.070 1.00 0.00 H new ATOM 0 HD1 PHE A 82 69.351 28.666 29.099 1.00 0.00 H new ATOM 0 HD2 PHE A 82 69.549 32.752 27.757 1.00 0.00 H new ATOM 0 HE1 PHE A 82 69.355 27.895 26.738 1.00 0.00 H new ATOM 0 HE2 PHE A 82 69.543 31.981 25.397 1.00 0.00 H new ATOM 0 HZ PHE A 82 69.443 29.548 24.884 1.00 0.00 H new ATOM 1227 N LEU A 83 73.085 30.795 29.758 1.00 0.00 N ATOM 1228 CA LEU A 83 74.320 31.116 29.051 1.00 0.00 C ATOM 1229 C LEU A 83 74.815 29.909 28.235 1.00 0.00 C ATOM 1230 O LEU A 83 74.267 28.812 28.291 1.00 0.00 O ATOM 1231 CB LEU A 83 75.374 31.574 30.087 1.00 0.00 C ATOM 1232 CG LEU A 83 76.518 32.456 29.552 1.00 0.00 C ATOM 1233 CD1 LEU A 83 76.012 33.839 29.142 1.00 0.00 C ATOM 1234 CD2 LEU A 83 77.611 32.595 30.605 1.00 0.00 C ATOM 0 H LEU A 83 73.110 29.868 30.183 1.00 0.00 H new ATOM 0 HA LEU A 83 74.142 31.923 28.340 1.00 0.00 H new ATOM 0 HB2 LEU A 83 74.861 32.121 30.878 1.00 0.00 H new ATOM 0 HB3 LEU A 83 75.811 30.687 30.545 1.00 0.00 H new ATOM 0 HG LEU A 83 76.928 31.969 28.667 1.00 0.00 H new ATOM 0 HD11 LEU A 83 76.845 34.435 28.769 1.00 0.00 H new ATOM 0 HD12 LEU A 83 75.261 33.734 28.359 1.00 0.00 H new ATOM 0 HD13 LEU A 83 75.569 34.335 30.005 1.00 0.00 H new ATOM 0 HD21 LEU A 83 78.414 33.220 30.215 1.00 0.00 H new ATOM 0 HD22 LEU A 83 77.196 33.055 31.502 1.00 0.00 H new ATOM 0 HD23 LEU A 83 78.006 31.609 30.852 1.00 0.00 H new ATOM 1246 N ASN A 84 75.867 30.127 27.448 1.00 0.00 N ATOM 1247 CA ASN A 84 76.706 29.153 26.738 1.00 0.00 C ATOM 1248 C ASN A 84 76.053 28.505 25.516 1.00 0.00 C ATOM 1249 O ASN A 84 76.744 27.981 24.648 1.00 0.00 O ATOM 1250 CB ASN A 84 77.346 28.166 27.716 1.00 0.00 C ATOM 1251 CG ASN A 84 77.950 28.794 28.923 1.00 0.00 C ATOM 1252 OD1 ASN A 84 77.344 29.007 29.948 1.00 0.00 O ATOM 1253 ND2 ASN A 84 79.213 29.079 28.856 1.00 0.00 N ATOM 0 H ASN A 84 76.187 31.079 27.272 1.00 0.00 H new ATOM 0 HA ASN A 84 77.518 29.721 26.284 1.00 0.00 H new ATOM 0 HB2 ASN A 84 76.590 27.449 28.035 1.00 0.00 H new ATOM 0 HB3 ASN A 84 78.117 27.603 27.191 1.00 0.00 H new ATOM 0 HD21 ASN A 84 79.689 29.480 29.664 1.00 0.00 H new ATOM 0 HD22 ASN A 84 79.731 28.902 27.995 1.00 0.00 H new ATOM 1260 N ASP A 85 74.751 28.704 25.380 1.00 0.00 N ATOM 1261 CA ASP A 85 73.942 28.411 24.205 1.00 0.00 C ATOM 1262 C ASP A 85 73.901 29.609 23.252 1.00 0.00 C ATOM 1263 O ASP A 85 74.388 29.553 22.122 1.00 0.00 O ATOM 1264 CB ASP A 85 72.543 27.988 24.665 1.00 0.00 C ATOM 1265 CG ASP A 85 71.635 27.675 23.479 1.00 0.00 C ATOM 1266 OD1 ASP A 85 71.037 28.611 22.892 1.00 0.00 O ATOM 1267 OD2 ASP A 85 71.501 26.481 23.142 1.00 0.00 O ATOM 0 H ASP A 85 74.194 29.101 26.137 1.00 0.00 H new ATOM 0 HA ASP A 85 74.388 27.590 23.643 1.00 0.00 H new ATOM 0 HB2 ASP A 85 72.620 27.111 25.307 1.00 0.00 H new ATOM 0 HB3 ASP A 85 72.100 28.784 25.264 1.00 0.00 H new ATOM 1272 N GLY A 86 73.371 30.716 23.766 1.00 0.00 N ATOM 1273 CA GLY A 86 73.072 31.945 23.049 1.00 0.00 C ATOM 1274 C GLY A 86 73.774 33.237 23.511 1.00 0.00 C ATOM 1275 O GLY A 86 73.192 34.294 23.287 1.00 0.00 O ATOM 0 H GLY A 86 73.125 30.779 24.754 1.00 0.00 H new ATOM 0 HA2 GLY A 86 73.318 31.788 21.999 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.996 32.111 23.103 1.00 0.00 H new ATOM 1279 N PRO A 87 74.996 33.236 24.098 1.00 0.00 N ATOM 1280 CA PRO A 87 75.636 34.443 24.674 1.00 0.00 C ATOM 1281 C PRO A 87 76.017 35.529 23.654 1.00 0.00 C ATOM 1282 O PRO A 87 76.545 36.583 23.996 1.00 0.00 O ATOM 1283 CB PRO A 87 76.887 33.917 25.370 1.00 0.00 C ATOM 1284 CG PRO A 87 77.276 32.690 24.557 1.00 0.00 C ATOM 1285 CD PRO A 87 75.917 32.110 24.189 1.00 0.00 C ATOM 0 HA PRO A 87 74.930 34.946 25.335 1.00 0.00 H new ATOM 0 HB2 PRO A 87 77.683 34.661 25.374 1.00 0.00 H new ATOM 0 HB3 PRO A 87 76.686 33.659 26.410 1.00 0.00 H new ATOM 0 HG2 PRO A 87 77.860 32.953 23.675 1.00 0.00 H new ATOM 0 HG3 PRO A 87 77.875 31.989 25.138 1.00 0.00 H new ATOM 0 HD2 PRO A 87 75.968 31.573 23.242 1.00 0.00 H new ATOM 0 HD3 PRO A 87 75.583 31.396 24.942 1.00 0.00 H new ATOM 1293 N LYS A 88 75.813 35.222 22.376 1.00 0.00 N ATOM 1294 CA LYS A 88 75.997 36.082 21.213 1.00 0.00 C ATOM 1295 C LYS A 88 74.773 36.960 20.901 1.00 0.00 C ATOM 1296 O LYS A 88 74.911 37.943 20.174 1.00 0.00 O ATOM 1297 CB LYS A 88 76.383 35.195 20.020 1.00 0.00 C ATOM 1298 CG LYS A 88 77.728 34.474 20.219 1.00 0.00 C ATOM 1299 CD LYS A 88 77.910 33.306 19.241 1.00 0.00 C ATOM 1300 CE LYS A 88 76.921 32.180 19.584 1.00 0.00 C ATOM 1301 NZ LYS A 88 76.985 31.061 18.623 1.00 0.00 N ATOM 0 H LYS A 88 75.490 34.293 22.107 1.00 0.00 H new ATOM 0 HA LYS A 88 76.795 36.792 21.430 1.00 0.00 H new ATOM 0 HB2 LYS A 88 75.600 34.454 19.857 1.00 0.00 H new ATOM 0 HB3 LYS A 88 76.435 35.808 19.120 1.00 0.00 H new ATOM 0 HG2 LYS A 88 78.543 35.186 20.088 1.00 0.00 H new ATOM 0 HG3 LYS A 88 77.791 34.102 21.242 1.00 0.00 H new ATOM 0 HD2 LYS A 88 77.747 33.647 18.219 1.00 0.00 H new ATOM 0 HD3 LYS A 88 78.933 32.932 19.293 1.00 0.00 H new ATOM 0 HE2 LYS A 88 77.133 31.807 20.586 1.00 0.00 H new ATOM 0 HE3 LYS A 88 75.908 32.583 19.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 76.300 30.328 18.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 76.757 31.409 17.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 77.943 30.657 18.624 1.00 0.00 H new ATOM 1315 N ARG A 89 73.584 36.622 21.412 1.00 0.00 N ATOM 1316 CA ARG A 89 72.355 37.402 21.311 1.00 0.00 C ATOM 1317 C ARG A 89 72.253 38.541 22.321 1.00 0.00 C ATOM 1318 O ARG A 89 72.937 38.572 23.332 1.00 0.00 O ATOM 1319 CB ARG A 89 71.135 36.483 21.381 1.00 0.00 C ATOM 1320 CG ARG A 89 70.552 36.254 20.004 1.00 0.00 C ATOM 1321 CD ARG A 89 69.571 37.345 19.559 1.00 0.00 C ATOM 1322 NE ARG A 89 69.009 37.067 18.225 1.00 0.00 N ATOM 1323 CZ ARG A 89 69.333 37.621 17.074 1.00 0.00 C ATOM 1324 NH1 ARG A 89 70.257 38.526 16.943 1.00 0.00 N ATOM 1325 NH2 ARG A 89 68.708 37.271 15.996 1.00 0.00 N ATOM 0 H ARG A 89 73.451 35.754 21.932 1.00 0.00 H new ATOM 0 HA ARG A 89 72.383 37.890 20.337 1.00 0.00 H new ATOM 0 HB2 ARG A 89 71.419 35.528 21.823 1.00 0.00 H new ATOM 0 HB3 ARG A 89 70.380 36.924 22.031 1.00 0.00 H new ATOM 0 HG2 ARG A 89 71.365 36.193 19.281 1.00 0.00 H new ATOM 0 HG3 ARG A 89 70.041 35.291 19.991 1.00 0.00 H new ATOM 0 HD2 ARG A 89 68.762 37.424 20.285 1.00 0.00 H new ATOM 0 HD3 ARG A 89 70.081 38.308 19.545 1.00 0.00 H new ATOM 0 HE ARG A 89 68.278 36.357 18.188 1.00 0.00 H new ATOM 0 HH11 ARG A 89 70.778 38.845 17.760 1.00 0.00 H new ATOM 0 HH12 ARG A 89 70.461 38.917 16.023 1.00 0.00 H new ATOM 0 HH21 ARG A 89 67.969 36.570 16.040 1.00 0.00 H new ATOM 0 HH22 ARG A 89 68.955 37.697 15.102 1.00 0.00 H new ATOM 1339 N GLY A 90 71.292 39.421 22.051 1.00 0.00 N ATOM 1340 CA GLY A 90 70.914 40.533 22.916 1.00 0.00 C ATOM 1341 C GLY A 90 70.028 40.159 24.100 1.00 0.00 C ATOM 1342 O GLY A 90 69.694 40.990 24.945 1.00 0.00 O ATOM 0 H GLY A 90 70.738 39.377 21.196 1.00 0.00 H new ATOM 0 HA2 GLY A 90 71.821 41.003 23.295 1.00 0.00 H new ATOM 0 HA3 GLY A 90 70.395 41.280 22.315 1.00 0.00 H new ATOM 1346 N GLN A 91 69.590 38.906 24.150 1.00 0.00 N ATOM 1347 CA GLN A 91 68.854 38.321 25.245 1.00 0.00 C ATOM 1348 C GLN A 91 69.773 38.093 26.451 1.00 0.00 C ATOM 1349 O GLN A 91 70.954 37.791 26.323 1.00 0.00 O ATOM 1350 CB GLN A 91 68.231 37.004 24.784 1.00 0.00 C ATOM 1351 CG GLN A 91 67.180 37.152 23.674 1.00 0.00 C ATOM 1352 CD GLN A 91 67.059 35.876 22.854 1.00 0.00 C ATOM 1353 OE1 GLN A 91 67.859 35.624 21.969 1.00 0.00 O ATOM 1354 NE2 GLN A 91 66.102 35.016 23.121 1.00 0.00 N ATOM 0 H GLN A 91 69.750 38.247 23.388 1.00 0.00 H new ATOM 0 HA GLN A 91 68.062 39.004 25.554 1.00 0.00 H new ATOM 0 HB2 GLN A 91 69.024 36.345 24.431 1.00 0.00 H new ATOM 0 HB3 GLN A 91 67.769 36.515 25.642 1.00 0.00 H new ATOM 0 HG2 GLN A 91 66.214 37.396 24.115 1.00 0.00 H new ATOM 0 HG3 GLN A 91 67.451 37.982 23.021 1.00 0.00 H new ATOM 0 HE21 GLN A 91 65.427 35.217 23.859 1.00 0.00 H new ATOM 0 HE22 GLN A 91 66.034 34.148 22.590 1.00 0.00 H new ATOM 1363 N SER A 92 69.210 38.213 27.643 1.00 0.00 N ATOM 1364 CA SER A 92 69.896 38.049 28.919 1.00 0.00 C ATOM 1365 C SER A 92 68.824 37.683 29.935 1.00 0.00 C ATOM 1366 O SER A 92 67.886 38.452 30.155 1.00 0.00 O ATOM 1367 CB SER A 92 70.599 39.340 29.326 1.00 0.00 C ATOM 1368 OG SER A 92 71.521 39.741 28.323 1.00 0.00 O ATOM 0 H SER A 92 68.221 38.437 27.754 1.00 0.00 H new ATOM 0 HA SER A 92 70.663 37.277 28.855 1.00 0.00 H new ATOM 0 HB2 SER A 92 69.862 40.127 29.487 1.00 0.00 H new ATOM 0 HB3 SER A 92 71.121 39.194 30.271 1.00 0.00 H new ATOM 0 HG SER A 92 71.963 40.571 28.598 1.00 0.00 H new ATOM 1374 N ARG A 93 68.883 36.452 30.444 1.00 0.00 N ATOM 1375 CA ARG A 93 67.851 35.875 31.315 1.00 0.00 C ATOM 1376 C ARG A 93 68.468 35.078 32.457 1.00 0.00 C ATOM 1377 O ARG A 93 69.041 34.008 32.257 1.00 0.00 O ATOM 1378 CB ARG A 93 66.850 35.014 30.519 1.00 0.00 C ATOM 1379 CG ARG A 93 66.162 35.807 29.395 1.00 0.00 C ATOM 1380 CD ARG A 93 64.895 35.126 28.847 1.00 0.00 C ATOM 1381 NE ARG A 93 64.302 35.874 27.715 1.00 0.00 N ATOM 1382 CZ ARG A 93 63.833 37.109 27.716 1.00 0.00 C ATOM 1383 NH1 ARG A 93 63.772 37.838 28.793 1.00 0.00 N ATOM 1384 NH2 ARG A 93 63.432 37.647 26.607 1.00 0.00 N ATOM 0 H ARG A 93 69.659 35.816 30.262 1.00 0.00 H new ATOM 0 HA ARG A 93 67.297 36.707 31.749 1.00 0.00 H new ATOM 0 HB2 ARG A 93 67.371 34.158 30.090 1.00 0.00 H new ATOM 0 HB3 ARG A 93 66.094 34.619 31.198 1.00 0.00 H new ATOM 0 HG2 ARG A 93 65.900 36.797 29.768 1.00 0.00 H new ATOM 0 HG3 ARG A 93 66.869 35.951 28.578 1.00 0.00 H new ATOM 0 HD2 ARG A 93 65.140 34.114 28.523 1.00 0.00 H new ATOM 0 HD3 ARG A 93 64.159 35.036 29.646 1.00 0.00 H new ATOM 0 HE ARG A 93 64.249 35.375 26.827 1.00 0.00 H new ATOM 0 HH11 ARG A 93 64.094 37.460 29.684 1.00 0.00 H new ATOM 0 HH12 ARG A 93 63.402 38.787 28.746 1.00 0.00 H new ATOM 0 HH21 ARG A 93 63.479 37.117 25.737 1.00 0.00 H new ATOM 0 HH22 ARG A 93 63.069 38.600 26.605 1.00 0.00 H new ATOM 1398 N PHE A 94 68.283 35.596 33.660 1.00 0.00 N ATOM 1399 CA PHE A 94 68.658 34.987 34.917 1.00 0.00 C ATOM 1400 C PHE A 94 67.410 34.599 35.720 1.00 0.00 C ATOM 1401 O PHE A 94 66.356 35.235 35.624 1.00 0.00 O ATOM 1402 CB PHE A 94 69.470 35.996 35.718 1.00 0.00 C ATOM 1403 CG PHE A 94 70.824 36.438 35.199 1.00 0.00 C ATOM 1404 CD1 PHE A 94 70.922 37.476 34.252 1.00 0.00 C ATOM 1405 CD2 PHE A 94 71.995 35.912 35.777 1.00 0.00 C ATOM 1406 CE1 PHE A 94 72.183 37.965 33.867 1.00 0.00 C ATOM 1407 CE2 PHE A 94 73.254 36.418 35.409 1.00 0.00 C ATOM 1408 CZ PHE A 94 73.350 37.436 34.445 1.00 0.00 C ATOM 0 H PHE A 94 67.841 36.506 33.788 1.00 0.00 H new ATOM 0 HA PHE A 94 69.242 34.088 34.722 1.00 0.00 H new ATOM 0 HB2 PHE A 94 68.857 36.889 35.837 1.00 0.00 H new ATOM 0 HB3 PHE A 94 69.621 35.579 36.714 1.00 0.00 H new ATOM 0 HD1 PHE A 94 70.026 37.898 33.820 1.00 0.00 H new ATOM 0 HD2 PHE A 94 71.926 35.117 36.505 1.00 0.00 H new ATOM 0 HE1 PHE A 94 72.255 38.748 33.126 1.00 0.00 H new ATOM 0 HE2 PHE A 94 74.149 36.024 35.868 1.00 0.00 H new ATOM 0 HZ PHE A 94 74.318 37.811 34.149 1.00 0.00 H new ATOM 1418 N CYS A 95 67.552 33.581 36.566 1.00 0.00 N ATOM 1419 CA CYS A 95 66.558 33.198 37.572 1.00 0.00 C ATOM 1420 C CYS A 95 67.200 33.059 38.964 1.00 0.00 C ATOM 1421 O CYS A 95 68.399 32.822 39.065 1.00 0.00 O ATOM 1422 CB CYS A 95 65.839 31.929 37.100 1.00 0.00 C ATOM 1423 SG CYS A 95 64.324 31.684 38.071 1.00 0.00 S ATOM 0 H CYS A 95 68.379 32.985 36.573 1.00 0.00 H new ATOM 0 HA CYS A 95 65.809 33.983 37.680 1.00 0.00 H new ATOM 0 HB2 CYS A 95 65.594 32.011 36.041 1.00 0.00 H new ATOM 0 HB3 CYS A 95 66.496 31.066 37.209 1.00 0.00 H new ATOM 0 HG CYS A 95 63.718 30.608 37.665 1.00 0.00 H new ATOM 1429 N ILE A 96 66.436 33.203 40.049 1.00 0.00 N ATOM 1430 CA ILE A 96 66.948 33.174 41.432 1.00 0.00 C ATOM 1431 C ILE A 96 66.105 32.248 42.309 1.00 0.00 C ATOM 1432 O ILE A 96 64.907 32.078 42.101 1.00 0.00 O ATOM 1433 CB ILE A 96 67.019 34.617 42.003 1.00 0.00 C ATOM 1434 CG1 ILE A 96 68.263 35.312 41.420 1.00 0.00 C ATOM 1435 CG2 ILE A 96 66.983 34.744 43.535 1.00 0.00 C ATOM 1436 CD1 ILE A 96 68.520 36.750 41.889 1.00 0.00 C ATOM 0 H ILE A 96 65.427 33.346 39.997 1.00 0.00 H new ATOM 0 HA ILE A 96 67.959 32.767 41.428 1.00 0.00 H new ATOM 0 HB ILE A 96 66.098 35.109 41.691 1.00 0.00 H new ATOM 0 HG12 ILE A 96 69.138 34.710 41.666 1.00 0.00 H new ATOM 0 HG13 ILE A 96 68.175 35.317 40.334 1.00 0.00 H new ATOM 0 HG21 ILE A 96 67.039 35.796 43.814 1.00 0.00 H new ATOM 0 HG22 ILE A 96 66.055 34.317 43.914 1.00 0.00 H new ATOM 0 HG23 ILE A 96 67.830 34.209 43.964 1.00 0.00 H new ATOM 0 HD11 ILE A 96 69.422 37.133 41.411 1.00 0.00 H new ATOM 0 HD12 ILE A 96 67.671 37.378 41.618 1.00 0.00 H new ATOM 0 HD13 ILE A 96 68.650 36.762 42.971 1.00 0.00 H new ATOM 1448 N PHE A 97 66.749 31.691 43.331 1.00 0.00 N ATOM 1449 CA PHE A 97 66.122 30.868 44.362 1.00 0.00 C ATOM 1450 C PHE A 97 65.349 31.719 45.376 1.00 0.00 C ATOM 1451 O PHE A 97 65.856 32.729 45.853 1.00 0.00 O ATOM 1452 CB PHE A 97 67.204 30.060 45.075 1.00 0.00 C ATOM 1453 CG PHE A 97 67.826 28.962 44.231 1.00 0.00 C ATOM 1454 CD1 PHE A 97 67.144 27.747 44.024 1.00 0.00 C ATOM 1455 CD2 PHE A 97 69.086 29.161 43.636 1.00 0.00 C ATOM 1456 CE1 PHE A 97 67.726 26.738 43.235 1.00 0.00 C ATOM 1457 CE2 PHE A 97 69.670 28.151 42.852 1.00 0.00 C ATOM 1458 CZ PHE A 97 68.993 26.936 42.656 1.00 0.00 C ATOM 0 H PHE A 97 67.753 31.803 43.469 1.00 0.00 H new ATOM 0 HA PHE A 97 65.405 30.201 43.884 1.00 0.00 H new ATOM 0 HB2 PHE A 97 67.991 30.739 45.403 1.00 0.00 H new ATOM 0 HB3 PHE A 97 66.775 29.613 45.972 1.00 0.00 H new ATOM 0 HD1 PHE A 97 66.174 27.590 44.471 1.00 0.00 H new ATOM 0 HD2 PHE A 97 69.607 30.095 43.783 1.00 0.00 H new ATOM 0 HE1 PHE A 97 67.199 25.809 43.073 1.00 0.00 H new ATOM 0 HE2 PHE A 97 70.638 28.309 42.401 1.00 0.00 H new ATOM 0 HZ PHE A 97 69.444 26.155 42.062 1.00 0.00 H new ATOM 1468 N SER A 98 64.170 31.263 45.802 1.00 0.00 N ATOM 1469 CA SER A 98 63.343 31.954 46.808 1.00 0.00 C ATOM 1470 C SER A 98 64.057 32.222 48.142 1.00 0.00 C ATOM 1471 O SER A 98 63.737 33.189 48.822 1.00 0.00 O ATOM 1472 CB SER A 98 62.079 31.140 47.066 1.00 0.00 C ATOM 1473 OG SER A 98 62.417 29.806 47.409 1.00 0.00 O ATOM 0 H SER A 98 63.754 30.397 45.459 1.00 0.00 H new ATOM 0 HA SER A 98 63.110 32.933 46.388 1.00 0.00 H new ATOM 0 HB2 SER A 98 61.503 31.595 47.871 1.00 0.00 H new ATOM 0 HB3 SER A 98 61.446 31.146 46.178 1.00 0.00 H new ATOM 0 HG SER A 98 61.598 29.293 47.574 1.00 0.00 H new ATOM 1479 N SER A 99 65.046 31.394 48.490 1.00 0.00 N ATOM 1480 CA SER A 99 65.830 31.477 49.731 1.00 0.00 C ATOM 1481 C SER A 99 67.159 32.255 49.601 1.00 0.00 C ATOM 1482 O SER A 99 67.899 32.411 50.568 1.00 0.00 O ATOM 1483 CB SER A 99 66.035 30.058 50.236 1.00 0.00 C ATOM 1484 OG SER A 99 66.335 30.027 51.610 1.00 0.00 O ATOM 0 H SER A 99 65.335 30.618 47.895 1.00 0.00 H new ATOM 0 HA SER A 99 65.269 32.068 50.455 1.00 0.00 H new ATOM 0 HB2 SER A 99 65.135 29.472 50.048 1.00 0.00 H new ATOM 0 HB3 SER A 99 66.844 29.587 49.677 1.00 0.00 H new ATOM 0 HG SER A 99 66.920 30.780 51.834 1.00 0.00 H new ATOM 1490 N SER A 100 67.479 32.750 48.399 1.00 0.00 N ATOM 1491 CA SER A 100 68.712 33.464 48.050 1.00 0.00 C ATOM 1492 C SER A 100 68.766 34.899 48.575 1.00 0.00 C ATOM 1493 O SER A 100 69.829 35.517 48.633 1.00 0.00 O ATOM 1494 CB SER A 100 68.743 33.511 46.533 1.00 0.00 C ATOM 1495 OG SER A 100 69.854 34.179 46.008 1.00 0.00 O ATOM 0 H SER A 100 66.850 32.658 47.601 1.00 0.00 H new ATOM 0 HA SER A 100 69.557 32.944 48.500 1.00 0.00 H new ATOM 0 HB2 SER A 100 68.729 32.491 46.148 1.00 0.00 H new ATOM 0 HB3 SER A 100 67.836 33.999 46.176 1.00 0.00 H new ATOM 0 HG SER A 100 69.942 33.969 45.055 1.00 0.00 H new ATOM 1501 N LEU A 101 67.603 35.446 48.930 1.00 0.00 N ATOM 1502 CA LEU A 101 67.461 36.839 49.353 1.00 0.00 C ATOM 1503 C LEU A 101 66.318 37.133 50.326 1.00 0.00 C ATOM 1504 O LEU A 101 65.420 36.317 50.515 1.00 0.00 O ATOM 1505 CB LEU A 101 67.366 37.714 48.101 1.00 0.00 C ATOM 1506 CG LEU A 101 66.092 37.683 47.212 1.00 0.00 C ATOM 1507 CD1 LEU A 101 65.554 36.293 46.861 1.00 0.00 C ATOM 1508 CD2 LEU A 101 64.927 38.506 47.766 1.00 0.00 C ATOM 0 H LEU A 101 66.724 34.929 48.932 1.00 0.00 H new ATOM 0 HA LEU A 101 68.349 37.074 49.940 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.512 38.747 48.418 1.00 0.00 H new ATOM 0 HB3 LEU A 101 68.210 37.455 47.462 1.00 0.00 H new ATOM 0 HG LEU A 101 66.472 38.137 46.297 1.00 0.00 H new ATOM 0 HD11 LEU A 101 64.665 36.393 46.238 1.00 0.00 H new ATOM 0 HD12 LEU A 101 66.316 35.734 46.318 1.00 0.00 H new ATOM 0 HD13 LEU A 101 65.297 35.760 47.777 1.00 0.00 H new ATOM 0 HD21 LEU A 101 64.076 38.434 47.089 1.00 0.00 H new ATOM 0 HD22 LEU A 101 64.644 38.123 48.746 1.00 0.00 H new ATOM 0 HD23 LEU A 101 65.230 39.549 47.858 1.00 0.00 H new ATOM 1520 N LYS A 102 66.323 38.352 50.884 1.00 0.00 N ATOM 1521 CA LYS A 102 65.209 38.962 51.599 1.00 0.00 C ATOM 1522 C LYS A 102 64.782 40.292 50.965 1.00 0.00 C ATOM 1523 O LYS A 102 65.538 40.929 50.234 1.00 0.00 O ATOM 1524 CB LYS A 102 65.559 39.159 53.074 1.00 0.00 C ATOM 1525 CG LYS A 102 66.681 38.295 53.687 1.00 0.00 C ATOM 1526 CD LYS A 102 66.794 38.517 55.203 1.00 0.00 C ATOM 1527 CE LYS A 102 67.284 39.933 55.533 1.00 0.00 C ATOM 1528 NZ LYS A 102 66.950 40.325 56.915 1.00 0.00 N ATOM 0 H LYS A 102 67.141 38.960 50.844 1.00 0.00 H new ATOM 0 HA LYS A 102 64.363 38.279 51.527 1.00 0.00 H new ATOM 0 HB2 LYS A 102 65.833 40.205 53.213 1.00 0.00 H new ATOM 0 HB3 LYS A 102 64.653 38.987 53.655 1.00 0.00 H new ATOM 0 HG2 LYS A 102 66.483 37.242 53.486 1.00 0.00 H new ATOM 0 HG3 LYS A 102 67.631 38.538 53.210 1.00 0.00 H new ATOM 0 HD2 LYS A 102 65.823 38.350 55.669 1.00 0.00 H new ATOM 0 HD3 LYS A 102 67.481 37.786 55.628 1.00 0.00 H new ATOM 0 HE2 LYS A 102 68.364 39.985 55.392 1.00 0.00 H new ATOM 0 HE3 LYS A 102 66.837 40.643 54.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 67.299 41.288 57.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 65.918 40.301 57.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 67.397 39.663 57.581 1.00 0.00 H new ATOM 1542 N PHE A 103 63.585 40.748 51.322 1.00 0.00 N ATOM 1543 CA PHE A 103 63.039 42.056 51.004 1.00 0.00 C ATOM 1544 C PHE A 103 62.781 42.820 52.303 1.00 0.00 C ATOM 1545 O PHE A 103 62.167 42.295 53.238 1.00 0.00 O ATOM 1546 CB PHE A 103 61.759 41.871 50.186 1.00 0.00 C ATOM 1547 CG PHE A 103 61.222 43.131 49.525 1.00 0.00 C ATOM 1548 CD1 PHE A 103 61.961 43.764 48.506 1.00 0.00 C ATOM 1549 CD2 PHE A 103 59.972 43.661 49.903 1.00 0.00 C ATOM 1550 CE1 PHE A 103 61.466 44.925 47.883 1.00 0.00 C ATOM 1551 CE2 PHE A 103 59.466 44.807 49.262 1.00 0.00 C ATOM 1552 CZ PHE A 103 60.214 45.443 48.257 1.00 0.00 C ATOM 0 H PHE A 103 62.938 40.181 51.870 1.00 0.00 H new ATOM 0 HA PHE A 103 63.742 42.638 50.408 1.00 0.00 H new ATOM 0 HB2 PHE A 103 61.946 41.126 49.412 1.00 0.00 H new ATOM 0 HB3 PHE A 103 60.986 41.465 50.839 1.00 0.00 H new ATOM 0 HD1 PHE A 103 62.913 43.356 48.201 1.00 0.00 H new ATOM 0 HD2 PHE A 103 59.401 43.186 50.687 1.00 0.00 H new ATOM 0 HE1 PHE A 103 62.048 45.418 47.118 1.00 0.00 H new ATOM 0 HE2 PHE A 103 58.500 45.199 49.543 1.00 0.00 H new ATOM 0 HZ PHE A 103 59.828 46.328 47.773 1.00 0.00 H new ATOM 1562 N VAL A 104 63.260 44.055 52.351 1.00 0.00 N ATOM 1563 CA VAL A 104 63.044 45.021 53.434 1.00 0.00 C ATOM 1564 C VAL A 104 62.156 46.183 52.944 1.00 0.00 C ATOM 1565 O VAL A 104 62.639 47.103 52.279 1.00 0.00 O ATOM 1566 CB VAL A 104 64.378 45.426 54.096 1.00 0.00 C ATOM 1567 CG1 VAL A 104 65.402 46.122 53.193 1.00 0.00 C ATOM 1568 CG2 VAL A 104 64.130 46.290 55.338 1.00 0.00 C ATOM 0 H VAL A 104 63.839 44.435 51.602 1.00 0.00 H new ATOM 0 HA VAL A 104 62.480 44.559 54.245 1.00 0.00 H new ATOM 0 HB VAL A 104 64.831 44.470 54.359 1.00 0.00 H new ATOM 0 HG11 VAL A 104 66.296 46.357 53.771 1.00 0.00 H new ATOM 0 HG12 VAL A 104 65.667 45.462 52.367 1.00 0.00 H new ATOM 0 HG13 VAL A 104 64.973 47.043 52.798 1.00 0.00 H new ATOM 0 HG21 VAL A 104 65.085 46.563 55.788 1.00 0.00 H new ATOM 0 HG22 VAL A 104 63.592 47.194 55.051 1.00 0.00 H new ATOM 0 HG23 VAL A 104 63.537 45.728 56.059 1.00 0.00 H new ATOM 1578 N PRO A 105 60.832 46.133 53.190 1.00 0.00 N ATOM 1579 CA PRO A 105 59.899 47.130 52.674 1.00 0.00 C ATOM 1580 C PRO A 105 59.855 48.406 53.526 1.00 0.00 C ATOM 1581 O PRO A 105 60.259 48.414 54.692 1.00 0.00 O ATOM 1582 CB PRO A 105 58.538 46.428 52.655 1.00 0.00 C ATOM 1583 CG PRO A 105 58.629 45.502 53.866 1.00 0.00 C ATOM 1584 CD PRO A 105 60.093 45.062 53.847 1.00 0.00 C ATOM 0 HA PRO A 105 60.206 47.472 51.686 1.00 0.00 H new ATOM 0 HB2 PRO A 105 57.714 47.136 52.746 1.00 0.00 H new ATOM 0 HB3 PRO A 105 58.380 45.873 51.730 1.00 0.00 H new ATOM 0 HG2 PRO A 105 58.374 46.020 54.791 1.00 0.00 H new ATOM 0 HG3 PRO A 105 57.950 44.653 53.778 1.00 0.00 H new ATOM 0 HD2 PRO A 105 60.463 44.898 54.859 1.00 0.00 H new ATOM 0 HD3 PRO A 105 60.210 44.122 53.308 1.00 0.00 H new ATOM 1592 N LYS A 106 59.300 49.484 52.957 1.00 0.00 N ATOM 1593 CA LYS A 106 58.889 50.686 53.677 1.00 0.00 C ATOM 1594 C LYS A 106 57.578 50.491 54.457 1.00 0.00 C ATOM 1595 O LYS A 106 57.069 49.382 54.597 1.00 0.00 O ATOM 1596 CB LYS A 106 58.882 51.913 52.752 1.00 0.00 C ATOM 1597 CG LYS A 106 59.649 53.115 53.330 1.00 0.00 C ATOM 1598 CD LYS A 106 61.173 52.930 53.238 1.00 0.00 C ATOM 1599 CE LYS A 106 61.742 52.934 51.809 1.00 0.00 C ATOM 1600 NZ LYS A 106 61.706 54.274 51.182 1.00 0.00 N ATOM 0 H LYS A 106 59.121 49.541 51.954 1.00 0.00 H new ATOM 0 HA LYS A 106 59.639 50.883 54.443 1.00 0.00 H new ATOM 0 HB2 LYS A 106 59.320 51.639 51.792 1.00 0.00 H new ATOM 0 HB3 LYS A 106 57.851 52.208 52.559 1.00 0.00 H new ATOM 0 HG2 LYS A 106 59.361 54.019 52.794 1.00 0.00 H new ATOM 0 HG3 LYS A 106 59.364 53.258 54.372 1.00 0.00 H new ATOM 0 HD2 LYS A 106 61.656 53.724 53.808 1.00 0.00 H new ATOM 0 HD3 LYS A 106 61.439 51.988 53.717 1.00 0.00 H new ATOM 0 HE2 LYS A 106 62.771 52.576 51.831 1.00 0.00 H new ATOM 0 HE3 LYS A 106 61.175 52.235 51.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 62.101 54.219 50.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 60.722 54.608 51.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 62.269 54.938 51.750 1.00 0.00 H new